10879 SMILES Strings for Interleukin-1 receptor-associated kinase 4

Compound Name
SMILES String
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(Nc3ccc(OCCN)cc3)ncc2c1
CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r|
COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(CO)C1)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(ccc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N |r|
CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)(F)F)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCOC1)-n1ccc2cc(cnc12)C#N |r|
C[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ccc2cc(cnc12)C#N
CC(C)(O)CCNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC3CC(CC(C3)C1)C2)-n1ccc2cc(cnc12)C#N |r,TLB:26:17:24:20.21.22,16:17:20:24.23.22,THB:25:17:20:24.23.22,25:23:20:17.26.18,26:21:24:17.25.18|
CC(C)Nc1cc(ncc1C(=O)NC12CCC(O)(CC1)C2)-n1ccc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCCOC(C)(C)C)-n1ccc2cc(cnc12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-n1ccc2cc(cnc12)C#N |r|
CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(C)COC1)-n1ccc2cc(cnc12)C#N |r|
CC(CCO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(O)C1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(O)CCC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1COC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCC[C@H]1O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1ccc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(Cl)cnc12 |r|
CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(Cl)cnc12 |r|
CC(C)(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(Cl)cnc12 |r|
CC(C)(O)CCNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(Cl)cnc12
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(Cl)ccc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(F)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cncnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cncnc12 |r|
CC(C)(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r|
CC(C)(O)CCNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cncnc12
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ccc2cncnc12
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(NC(C)=O)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(O)c1)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCCCOC(C)C)-n1ccc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)S(N)(=O)=O)-n1ccc2cc(cnc12)C#N |r|
COc1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(F)(F)C1)-n1ccc2cc(cnc12)C#N |r|
CC(=O)Nc1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)c1 |r|
CNC(=O)c1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C(N)=O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(NS(C)(=O)=O)c1)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O)-n1ccc2cc(cnc12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(N)=O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@](C)(O)CC1)-n1ccc2cc(cnc12)C#N |r,wU:4.4,17.17,20.22,wD:20.21,(-8.46,1.5,;-8.46,-.04,;-9.8,.73,;-9.8,-.81,;-7.13,-.81,;-7.13,-2.35,;-5.8,-.04,;-4.46,-.81,;-3.13,-.04,;-3.13,1.5,;-1.79,-.81,;-1.79,-2.35,;-.46,-3.12,;.87,-2.35,;.87,-.81,;-.46,-.04,;-.46,1.5,;.87,2.27,;.87,3.81,;2.21,4.58,;3.54,3.81,;4.31,5.14,;5.08,3.81,;3.54,2.27,;2.21,1.5,;2.21,-3.12,;2.21,-4.66,;3.67,-5.14,;4.58,-3.89,;6.11,-3.73,;6.73,-2.33,;5.83,-1.08,;4.3,-1.24,;3.67,-2.65,;8.27,-2.16,;9.8,-2,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@](C)(O)CC1)-n1ccc2cc(cnc12)C#N |r,wU:4.4,17.17,20.21,wD:20.22,(-8.46,1.5,;-8.46,-.04,;-9.8,.73,;-9.8,-.81,;-7.13,-.81,;-7.13,-2.35,;-5.8,-.04,;-4.46,-.81,;-3.13,-.04,;-3.13,1.5,;-1.79,-.81,;-1.79,-2.35,;-.46,-3.12,;.87,-2.35,;.87,-.81,;-.46,-.04,;-.46,1.5,;.87,2.27,;.87,3.81,;2.21,4.58,;3.54,3.81,;4.31,5.14,;5.08,3.81,;3.54,2.27,;2.21,1.5,;2.21,-3.12,;2.21,-4.66,;3.67,-5.14,;4.58,-3.89,;6.11,-3.73,;6.73,-2.33,;5.83,-1.08,;4.3,-1.24,;3.67,-2.65,;8.27,-2.16,;9.8,-2,)|
CC(C)Nc1cc(ncc1C(=O)NCCNS(C)(=O)=O)-n1ccc2cc(cnc12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncsc2c1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(F)CCC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C#N)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1cccn1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1cncn1)-n1ccc2cc(cnc12)C#N |r|
Cn1nnnc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cc1 |r|
CC(C)Nc1cc(ncc1C(=O)NCC(=O)NC1CCS(=O)(=O)C1)-n1ccc2cc(cnc12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(CO)c1)-n1ccc2cc(cnc12)C#N |r|
CC(F)[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CCc2nc(N)sc2C1)-n1ccc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cccnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(Cl)cnc12 |r|
CC(C)(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(ccc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;3.54,2.16,;2.21,4.47,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cncnc12 |r,wU:7.10,wD:4.3,(-9.6,2.93,;-8.27,2.16,;-6.93,2.93,;-6.93,4.47,;-5.6,2.16,;-5.6,.62,;-4.26,-.15,;-2.93,.62,;-2.93,2.16,;-4.26,2.93,;-1.6,-.15,;-.26,.62,;-.26,2.16,;1.07,-.15,;1.07,-1.69,;2.4,-2.46,;3.74,-1.69,;3.74,-.15,;2.4,.62,;2.4,2.16,;3.74,2.93,;3.74,4.47,;5.07,2.16,;5.07,-2.46,;5.07,-4,;6.54,-4.47,;7.44,-3.23,;8.97,-3.07,;9.6,-1.66,;8.69,-.41,;7.16,-.57,;6.54,-1.98,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cncnc12 |r,wU:7.10,wD:4.3,(-9.6,2.55,;-8.27,1.78,;-6.93,2.55,;-6.93,4.09,;-5.6,1.78,;-5.6,.24,;-4.26,-.53,;-2.93,.24,;-2.93,1.78,;-4.26,2.55,;-1.6,-.53,;-.26,.24,;-.26,1.78,;1.07,-.53,;1.07,-2.07,;2.4,-2.84,;3.74,-2.07,;3.74,-.53,;2.4,.24,;2.4,1.78,;3.74,2.55,;5.07,1.78,;6.41,2.55,;6.41,4.09,;5.07,4.86,;3.74,4.09,;5.07,-2.84,;5.07,-4.38,;6.54,-4.86,;7.44,-3.61,;8.97,-3.45,;9.6,-2.04,;8.69,-.8,;7.16,-.96,;6.54,-2.37,)|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cncnc12 |r,wU:7.10,wD:4.3,(-9.6,2.55,;-8.27,1.78,;-8.27,.24,;-6.93,2.55,;-5.6,1.78,;-5.6,.24,;-4.26,-.53,;-2.93,.24,;-2.93,1.78,;-4.26,2.55,;-1.6,-.53,;-.26,.24,;-.26,1.78,;1.07,-.53,;1.07,-2.07,;2.4,-2.84,;3.74,-2.07,;3.74,-.53,;2.4,.24,;2.4,1.78,;3.74,2.55,;5.07,1.78,;6.41,2.55,;6.41,4.09,;5.07,4.86,;3.74,4.09,;5.07,-2.84,;5.07,-4.38,;6.54,-4.86,;7.44,-3.61,;8.97,-3.45,;9.6,-2.04,;8.69,-.8,;7.16,-.96,;6.54,-2.37,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-n1ccc2cncnc12 |r,wU:13.13,wD:16.20,(3.74,4.47,;3.74,2.93,;5.07,2.16,;2.4,2.16,;2.4,.62,;3.74,-.15,;3.74,-1.69,;2.4,-2.46,;1.07,-1.69,;1.07,-.15,;-.26,.62,;-.26,2.16,;-1.6,-.15,;-2.93,.62,;-4.26,-.15,;-5.6,.62,;-5.6,2.16,;-4.26,2.93,;-2.93,2.16,;-6.93,2.93,;-8.27,2.16,;-9.6,2.93,;-8.27,.62,;5.07,-2.46,;5.07,-4,;6.54,-4.47,;7.44,-3.23,;8.97,-3.07,;9.6,-1.66,;8.69,-.41,;7.16,-.57,;6.54,-1.98,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;3.75,2.93,;2.98,4.27,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.55,;-9.8,1.78,;-8.46,2.55,;-8.46,4.09,;-7.13,1.78,;-7.13,.24,;-5.8,-.53,;-4.46,.24,;-4.46,1.78,;-5.8,2.55,;-3.13,-.53,;-1.79,.24,;-1.79,1.78,;-.46,-.53,;-.46,-2.07,;.87,-2.84,;2.21,-2.07,;2.21,-.53,;.87,.24,;.87,1.78,;2.21,2.55,;3.54,1.78,;4.87,2.55,;4.87,4.09,;3.54,4.86,;2.21,4.09,;3.54,-2.84,;3.54,-4.38,;5,-4.86,;5.91,-3.61,;7.44,-3.45,;8.07,-2.04,;7.16,-.8,;5.63,-.96,;5,-2.37,;9.6,-1.88,;11.13,-1.72,)|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,3.04,;-9.8,2.27,;-9.8,.73,;-8.46,3.04,;-7.13,2.27,;-7.13,.73,;-5.8,-.04,;-4.46,.73,;-4.46,2.27,;-5.8,3.04,;-3.13,-.04,;-1.79,.73,;-1.79,2.27,;-.46,-.04,;-.46,-1.58,;.87,-2.35,;2.21,-1.58,;2.21,-.04,;.87,.73,;.87,2.27,;2.21,3.04,;3.75,3.04,;2.98,4.37,;3.54,-2.35,;3.54,-3.89,;5,-4.37,;5.91,-3.12,;7.44,-2.96,;8.07,-1.56,;7.16,-.31,;5.63,-.47,;5,-1.88,;9.6,-1.39,;11.13,-1.23,)|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.55,;-9.8,1.78,;-9.8,.24,;-8.46,2.55,;-7.13,1.78,;-7.13,.24,;-5.8,-.53,;-4.46,.24,;-4.46,1.78,;-5.8,2.55,;-3.13,-.53,;-1.79,.24,;-1.79,1.78,;-.46,-.53,;-.46,-2.07,;.87,-2.84,;2.21,-2.07,;2.21,-.53,;.87,.24,;.87,1.78,;2.21,2.55,;3.54,1.78,;4.87,2.55,;4.87,4.09,;3.54,4.86,;2.21,4.09,;3.54,-2.84,;3.54,-4.38,;5,-4.86,;5.91,-3.61,;7.44,-3.45,;8.07,-2.04,;7.16,-.8,;5.63,-.96,;5,-2.37,;9.6,-1.88,;11.13,-1.72,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1N[C@@H](C)CO)-n1ccc2cc(cnc12)C#N |r,wU:7.10,20.22,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;4.87,2.93,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
CC(C)NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:9.12,wD:6.5,(-11.8,2.16,;-10.46,2.93,;-10.46,4.47,;-9.13,2.16,;-7.8,2.93,;-7.8,4.47,;-6.46,2.16,;-6.46,.62,;-5.13,-.15,;-3.8,.62,;-3.8,2.16,;-5.13,2.93,;-2.46,-.15,;-1.13,.62,;-1.13,2.16,;.21,-.15,;.21,-1.69,;1.54,-2.46,;2.87,-1.69,;2.87,-.15,;1.54,.62,;1.54,2.16,;2.87,2.93,;2.87,4.47,;4.21,2.16,;4.21,-2.46,;4.21,-4,;5.67,-4.47,;6.58,-3.23,;8.11,-3.07,;8.73,-1.66,;7.83,-.41,;6.3,-.57,;5.67,-1.98,;10.27,-1.5,;11.8,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.98,4.47,;2.98,2.93,;4.31,2.16,;1.64,2.16,;1.64,.62,;2.98,-.15,;2.98,-1.69,;1.64,-2.46,;.31,-1.69,;.31,-.15,;-1.02,.62,;-1.02,2.16,;-2.36,-.15,;-3.69,.62,;-5.03,-.15,;-6.36,.62,;-6.36,2.16,;-5.03,2.93,;-3.69,2.16,;-7.69,2.93,;-7.69,4.47,;-9.03,2.16,;-10.36,2.93,;-11.13,4.27,;-11.9,2.93,;4.31,-2.46,;4.31,-4,;5.77,-4.47,;6.68,-3.23,;8.21,-3.07,;8.84,-1.66,;7.93,-.41,;6.4,-.57,;5.77,-1.98,;10.37,-1.5,;11.9,-1.34,)|
CCNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:8.11,wD:5.4,(-11.8,2.16,;-10.46,2.93,;-9.13,2.16,;-7.8,2.93,;-7.8,4.47,;-6.46,2.16,;-6.46,.62,;-5.13,-.15,;-3.8,.62,;-3.8,2.16,;-5.13,2.93,;-2.46,-.15,;-1.13,.62,;-1.13,2.16,;.21,-.15,;.21,-1.69,;1.54,-2.46,;2.87,-1.69,;2.87,-.15,;1.54,.62,;1.54,2.16,;2.87,2.93,;2.87,4.47,;4.21,2.16,;4.21,-2.46,;4.21,-4,;5.67,-4.47,;6.58,-3.23,;8.11,-3.07,;8.73,-1.66,;7.83,-.41,;6.3,-.57,;5.67,-1.98,;10.27,-1.5,;11.8,-1.34,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1CCC(C)(C)O)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.16,;-9.8,1.39,;-8.46,2.16,;-8.46,3.7,;-7.13,1.39,;-7.13,-.15,;-5.8,-.92,;-4.46,-.15,;-4.46,1.39,;-5.8,2.16,;-3.13,-.92,;-1.79,-.15,;-1.79,1.39,;-.46,-.92,;-.46,-2.46,;.87,-3.23,;2.21,-2.46,;2.21,-.92,;.87,-.15,;.87,1.39,;2.21,2.16,;2.21,3.7,;.87,4.47,;2.21,5.24,;3.75,3.7,;3.54,-3.23,;3.54,-4.77,;5,-5.24,;5.91,-4,;7.44,-3.84,;8.07,-2.43,;7.16,-1.18,;5.63,-1.34,;5,-2.75,;9.6,-2.27,;11.13,-2.11,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)[N+]([O-])=O)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(1.54,4.47,;1.54,2.93,;2.87,2.16,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-6.46,-.15,;-7.8,.62,;-7.86,2.24,;-6.46,2.93,;-5.13,2.16,;-9.18,3.02,;-9.17,4.56,;-10.53,2.27,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.82,2.16,;1.49,2.93,;1.49,4.47,;.15,2.16,;.15,.62,;1.49,-.15,;1.49,-1.69,;.15,-2.46,;-1.18,-1.69,;-1.18,-.15,;-2.51,.62,;-2.51,2.16,;-3.85,-.15,;-5.18,.62,;-6.51,-.15,;-7.85,.62,;-7.85,2.16,;-6.51,2.93,;-5.18,2.16,;-9.18,2.93,;-9.18,4.47,;-10.51,2.16,;-10.51,3.7,;2.82,-2.46,;2.82,-4,;4.29,-4.47,;5.19,-3.23,;6.72,-3.07,;7.35,-1.66,;6.44,-.41,;4.91,-.57,;4.29,-1.98,;8.88,-1.5,;10.41,-1.34,)|
COC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:8.11,wD:5.4,(-11.18,-.15,;-9.85,.62,;-9.85,2.16,;-11.18,2.93,;-8.51,2.93,;-7.18,2.16,;-7.18,.62,;-5.85,-.15,;-4.51,.62,;-4.51,2.16,;-5.85,2.93,;-3.18,-.15,;-1.85,.62,;-1.85,2.16,;-.51,-.15,;-.51,-1.69,;.82,-2.46,;2.16,-1.69,;2.16,-.15,;.82,.62,;.82,2.16,;2.16,2.93,;3.49,2.16,;2.16,4.47,;3.49,-2.46,;3.49,-4,;4.95,-4.47,;5.86,-3.23,;7.39,-3.07,;8.02,-1.66,;7.11,-.41,;5.58,-.57,;4.95,-1.98,;9.55,-1.5,;11.08,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@H](O)CC1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.17,(2.16,2.16,;.82,2.93,;.82,4.47,;-.51,2.16,;-.51,.62,;.82,-.15,;.82,-1.69,;-.51,-2.46,;-1.85,-1.69,;-1.85,-.15,;-3.18,.62,;-3.18,2.16,;-4.51,-.15,;-5.85,.62,;-7.18,-.15,;-8.51,.62,;-8.51,2.16,;-9.85,2.93,;-7.18,2.93,;-5.85,2.16,;2.16,-2.46,;2.16,-4,;3.62,-4.47,;4.52,-3.23,;6.06,-3.07,;6.68,-1.66,;5.78,-.41,;4.25,-.57,;3.62,-1.98,;8.21,-1.5,;9.75,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@](C)(O)CC1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,wD:16.18,(2.16,2.16,;.82,2.93,;.82,4.47,;-.51,2.16,;-.51,.62,;.82,-.15,;.82,-1.69,;-.51,-2.46,;-1.85,-1.69,;-1.85,-.15,;-3.18,.62,;-3.18,2.16,;-4.51,-.15,;-5.85,.62,;-7.18,-.15,;-8.51,.62,;-8.51,2.16,;-8.51,3.7,;-9.85,2.93,;-7.18,2.93,;-5.85,2.16,;2.16,-2.46,;2.16,-4,;3.62,-4.47,;4.52,-3.23,;6.06,-3.07,;6.68,-1.66,;5.78,-.41,;4.25,-.57,;3.62,-1.98,;8.21,-1.5,;9.75,-1.34,)|
CCNc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r,wU:12.12,wD:15.19,(1.49,4.47,;1.49,2.93,;.15,2.16,;.15,.62,;1.49,-.15,;1.49,-1.69,;.15,-2.46,;-1.18,-1.69,;-1.18,-.15,;-2.51,.62,;-2.51,2.16,;-3.85,-.15,;-5.18,.62,;-6.51,-.15,;-7.85,.62,;-7.85,2.16,;-6.51,2.93,;-5.18,2.16,;-9.18,2.93,;-9.18,4.47,;-10.51,2.16,;-10.51,3.7,;2.82,-2.46,;2.82,-4,;4.29,-4.47,;5.19,-3.23,;6.72,-3.07,;7.35,-1.66,;6.44,-.41,;4.91,-.57,;4.29,-1.98,;8.88,-1.5,;10.41,-1.34,)|
CS[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:5.8,wD:2.1,(-10.49,7.14,;-9.16,7.91,;-7.83,7.14,;-7.83,5.6,;-6.49,4.83,;-5.16,5.6,;-5.16,7.14,;-6.49,7.91,;-3.83,4.83,;-2.49,5.6,;-2.49,7.14,;-1.16,4.83,;-1.16,3.29,;.17,2.52,;1.51,3.29,;1.51,4.83,;.17,5.6,;.17,7.14,;1.51,7.91,;2.84,7.14,;1.51,9.45,;2.84,2.52,;2.84,.98,;4.31,.5,;5.21,1.75,;6.74,1.91,;7.37,3.32,;6.46,4.56,;4.93,4.4,;4.31,3,;8.9,3.48,;10.43,3.64,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)S(C)(=O)=O)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.87,2.16,;1.54,2.93,;1.54,4.47,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-6.46,-.15,;-7.8,.62,;-7.8,2.16,;-6.46,2.93,;-5.13,2.16,;-9.13,2.93,;-10.46,2.16,;-9.9,4.27,;-8.36,4.27,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)|
CS(=O)(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.46,1.78,;-9.13,2.55,;-9.9,3.88,;-8.36,3.88,;-7.8,1.78,;-7.8,.24,;-6.46,-.53,;-5.13,.24,;-5.13,1.78,;-6.46,2.55,;-3.8,-.53,;-2.46,.24,;-2.46,1.78,;-1.13,-.53,;-1.13,-2.07,;.21,-2.84,;1.54,-2.07,;1.54,-.53,;.21,.24,;.21,1.78,;1.54,2.55,;2.87,1.78,;4.21,2.55,;4.21,4.09,;2.87,4.86,;1.54,4.09,;2.87,-2.84,;2.87,-4.38,;4.34,-4.86,;5.24,-3.61,;6.77,-3.45,;7.4,-2.04,;6.5,-.8,;4.96,-.96,;4.34,-2.37,;8.93,-1.88,;10.46,-1.72,)|
CS(=O)(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.46,2.27,;-9.13,3.04,;-9.9,4.37,;-8.36,4.37,;-7.8,2.27,;-7.8,.73,;-6.46,-.04,;-5.13,.73,;-5.13,2.27,;-6.46,3.04,;-3.8,-.04,;-2.46,.73,;-2.46,2.27,;-1.13,-.04,;-1.13,-1.58,;.21,-2.35,;1.54,-1.58,;1.54,-.04,;.21,.73,;.21,2.27,;1.54,3.04,;3.08,3.04,;2.31,4.37,;2.87,-2.35,;2.87,-3.89,;4.34,-4.37,;5.24,-3.12,;6.77,-2.96,;7.4,-1.56,;6.5,-.31,;4.96,-.47,;4.34,-1.88,;8.93,-1.39,;10.46,-1.23,)|
CS(=O)(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cccc(c1)C(N)=O)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.46,.62,;-9.13,1.39,;-9.9,2.73,;-8.36,2.73,;-7.8,.62,;-7.8,-.92,;-6.46,-1.69,;-5.13,-.92,;-5.13,.62,;-6.46,1.39,;-3.8,-1.69,;-2.46,-.92,;-2.46,.62,;-1.13,-1.69,;-1.13,-3.23,;.21,-4,;1.54,-3.23,;1.54,-1.69,;.21,-.92,;.21,.62,;1.54,1.39,;2.87,.62,;4.21,1.39,;4.21,2.93,;2.87,3.7,;1.54,2.93,;2.87,5.24,;4.21,6.01,;1.54,6.01,;2.87,-4,;2.87,-5.54,;4.34,-6.01,;5.24,-4.77,;6.77,-4.61,;7.4,-3.2,;6.5,-1.95,;4.96,-2.11,;4.34,-3.52,;8.93,-3.04,;10.46,-2.88,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1F)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(F)(F)C1O)-n1ccc2cc(cnc12)C#N |r|
CC(CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r|
C[C@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
C[C@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r|
C[C@@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r|
C[C@@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
C[C@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
C[C@@H](CF)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
C[C@H](CF)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
C[C@@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1N[C@@H](C)CF)-n1ncc2cc(cnc12)C#N |r,wU:7.10,20.22,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;4.87,2.93,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C(N)=O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1ccc2cc(cnc12)C(N)=O |r|
CC(C)Nc1cc(ncc1C(=O)NCCNC(=O)C(C)(C)OC(C)=O)-n1ccc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCNC(=O)C(C)(C)O)-n1ccc2cc(cnc12)C#N
COC[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r|
CO[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(ccc12)C#N |r|
CC(C)NC(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC(CO)CF)-n1ccc2cc(cnc12)C#N |r|
CNC(=O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ncc2cncnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ncc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ncc2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r|
CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ncc2cc(cnc12)C#N |r|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ncc2cc(cnc12)C#N |r,wU:4.3,wD:7.10,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-5.8,2.93,;-4.46,2.16,;-4.46,.62,;-5.8,-.15,;-7.13,.62,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;3.75,2.93,;2.98,4.27,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCOC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cncnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ncc2cc(cnc12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)(F)F)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.87,2.16,;1.54,2.93,;1.54,4.47,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-6.46,-.15,;-7.8,.62,;-7.8,2.16,;-6.46,2.93,;-5.13,2.16,;-9.13,2.93,;-9.13,4.47,;-10.46,2.16,;-10.46,3.7,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)|
CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cncnc12 |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r,wU:13.13,wD:16.20,(3.64,2.16,;2.3,2.93,;2.3,4.47,;.97,2.16,;.97,.62,;2.3,-.15,;2.3,-1.69,;.97,-2.46,;-.36,-1.69,;-.36,-.15,;-1.7,.62,;-1.7,2.16,;-3.03,-.15,;-4.36,.62,;-5.7,-.15,;-7.03,.62,;-7.03,2.16,;-5.7,2.93,;-4.36,2.16,;-8.36,2.93,;-8.36,4.47,;-9.7,2.16,;-9.7,3.7,;3.64,-2.46,;3.64,-4,;5.1,-4.47,;6.01,-3.23,;7.54,-3.07,;8.17,-1.66,;9.7,-1.5,;7.26,-.41,;5.73,-.57,;5.1,-1.98,)|
CC(C)(O)CCNC(=O)c1cnc(cc1NC1CCOCC1)-n1ncc2cc(cnc12)C#N
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(Cl)cnc12 |r,wU:7.10,wD:4.3,(-10.36,2.93,;-9.03,2.16,;-7.7,2.93,;-7.7,4.47,;-6.36,2.16,;-6.36,.62,;-5.03,-.15,;-3.7,.62,;-3.7,2.16,;-5.03,2.93,;-2.36,-.15,;-1.03,.62,;-1.03,2.16,;.3,-.15,;.3,-1.69,;1.64,-2.46,;2.97,-1.69,;2.97,-.15,;1.64,.62,;1.64,2.16,;2.97,2.93,;2.97,4.47,;4.31,2.16,;4.31,-2.46,;4.31,-4,;5.77,-4.47,;6.68,-3.23,;8.21,-3.07,;8.83,-1.66,;10.36,-1.5,;7.93,-.41,;6.4,-.57,;5.77,-1.98,)|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(O)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NCCN1CCOCC1)-n1ncc2cc(Cl)cnc12
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ncc2cc(F)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(F)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Br)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](O)CC1)-n1ncc2cc(cnc12)C#N |r,wU:17.17,4.4,wD:20.21,(-9.8,-.53,;-8.46,.24,;-8.46,1.78,;-9.8,1.01,;-7.13,-.53,;-7.13,-2.07,;-5.8,.24,;-4.46,-.53,;-3.13,.24,;-3.13,1.78,;-1.79,-.53,;-1.79,-2.07,;-.46,-2.84,;.87,-2.07,;.87,-.53,;-.46,.24,;-.46,1.78,;.87,2.55,;.87,4.09,;2.21,4.86,;3.54,4.09,;4.87,4.86,;3.54,2.55,;2.21,1.78,;2.21,-2.84,;2.21,-4.38,;3.67,-4.86,;4.58,-3.61,;6.11,-3.45,;6.73,-2.04,;5.83,-.8,;4.3,-.96,;3.67,-2.37,;8.27,-1.88,;9.8,-1.72,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(1.54,4.47,;1.54,2.93,;2.87,2.16,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-6.46,-.15,;-7.8,.62,;-7.8,2.16,;-6.46,2.93,;-5.13,2.16,;-9.13,2.93,;-10.46,2.16,;-8.36,4.27,;-9.9,4.27,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC(F)CC1)-n1ncc2cc(cnc12)C#N |r,wU:17.17,4.4,(-9.8,-.53,;-8.46,.24,;-8.46,1.78,;-9.8,1.01,;-7.13,-.53,;-7.13,-2.07,;-5.8,.24,;-4.46,-.53,;-3.13,.24,;-3.13,1.78,;-1.79,-.53,;-1.79,-2.07,;-.46,-2.84,;.87,-2.07,;.87,-.53,;-.46,.24,;-.46,1.78,;.87,2.55,;.87,4.09,;2.21,4.86,;3.54,4.09,;4.87,4.86,;3.54,2.55,;2.21,1.78,;2.21,-2.84,;2.21,-4.38,;3.67,-4.86,;4.58,-3.61,;6.11,-3.45,;6.73,-2.04,;5.83,-.8,;4.3,-.96,;3.67,-2.37,;8.27,-1.88,;9.8,-1.72,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.21,4.47,;2.21,2.93,;3.54,2.16,;.87,2.16,;.87,.62,;2.21,-.15,;2.21,-1.69,;.87,-2.46,;-.46,-1.69,;-.46,-.15,;-1.79,.62,;-1.79,2.16,;-3.13,-.15,;-4.46,.62,;-5.8,-.15,;-7.13,.62,;-7.13,2.16,;-5.8,2.93,;-4.46,2.16,;-8.46,2.93,;-9.8,2.16,;-11.13,2.93,;-9.8,.62,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)NC1CCc2nc(N)sc2C1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.21,4.47,;2.21,2.93,;3.54,2.16,;.87,2.16,;.87,.62,;2.21,-.15,;2.21,-1.69,;.87,-2.46,;-.46,-1.69,;-.46,-.15,;-1.79,.62,;-1.79,2.16,;-3.13,-.15,;-4.46,.62,;-5.8,-.15,;-7.13,.62,;-7.13,2.16,;-5.8,2.93,;-4.46,2.16,;-8.46,2.93,;-9.8,2.16,;-11.13,2.93,;-10.57,.83,;-9.03,.83,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)NCC(F)(F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc(n1)-c1ccnnc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)(F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1cnc2cncnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1cnc2cnc(N)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1cnc2cnc(NCCO)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1ccnn1C)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.33,9.18,;1.99,9.95,;1.99,11.49,;.66,9.18,;.66,7.64,;1.99,6.87,;1.99,5.33,;.66,4.56,;-.67,5.33,;-.67,6.87,;-2.01,7.64,;-2.01,9.18,;-3.34,6.87,;-4.68,7.64,;-6.01,6.87,;-7.34,7.64,;-7.34,9.18,;-7.34,10.72,;-6.01,9.95,;-4.68,9.18,;-8.68,9.95,;-8.68,11.49,;-10.14,11.97,;-11.05,10.72,;-10.14,9.48,;-10.91,8.14,;3.33,4.56,;3.33,3.02,;4.79,2.55,;5.7,3.79,;7.23,3.95,;7.85,5.36,;6.95,6.6,;5.42,6.44,;4.79,5.04,;9.39,5.52,;10.92,5.68,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](F)(CC1)c1ccnn1C)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.33,1.93,;1.99,2.7,;1.99,4.23,;.66,1.93,;.66,.38,;1.99,-.38,;1.99,-1.93,;.66,-2.7,;-.67,-1.93,;-.67,-.38,;-2.01,.38,;-2.01,1.93,;-3.34,-.38,;-4.68,.38,;-6.01,-.38,;-7.34,.38,;-7.34,1.93,;-7.34,3.46,;-6.01,2.7,;-4.68,1.93,;-8.68,2.7,;-8.68,4.23,;-10.14,4.71,;-11.05,3.46,;-10.14,2.22,;-10.91,.89,;3.33,-2.7,;3.33,-4.23,;4.79,-4.71,;5.7,-3.46,;7.23,-3.3,;7.85,-1.9,;6.95,-.65,;5.42,-.81,;4.79,-2.22,;9.39,-1.74,;10.92,-1.58,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1nccs1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.37,1.93,;2.03,2.7,;2.03,4.24,;.7,1.93,;.7,.39,;2.03,-.38,;2.03,-1.92,;.7,-2.69,;-.63,-1.92,;-.63,-.38,;-1.97,.39,;-1.97,1.93,;-3.3,-.38,;-4.64,.39,;-5.97,-.38,;-7.3,.39,;-7.3,1.93,;-7.3,3.47,;-5.97,2.7,;-4.64,1.93,;-8.64,2.7,;-8.64,4.24,;-10.1,4.71,;-11.01,3.47,;-10.1,2.22,;3.37,-2.69,;3.37,-4.23,;4.83,-4.71,;5.74,-3.46,;7.27,-3.3,;7.89,-1.9,;6.99,-.65,;5.46,-.81,;4.83,-2.22,;9.43,-1.74,;10.96,-1.58,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1nccn1C)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.37,1.93,;2.03,2.7,;2.03,4.24,;.7,1.93,;.7,.39,;2.03,-.38,;2.03,-1.92,;.7,-2.69,;-.63,-1.92,;-.63,-.38,;-1.97,.39,;-1.97,1.93,;-3.3,-.38,;-4.64,.39,;-5.97,-.38,;-7.3,.39,;-7.3,1.93,;-7.3,3.47,;-5.97,2.7,;-4.64,1.93,;-8.64,2.7,;-8.64,4.24,;-10.1,4.71,;-11.01,3.47,;-10.1,2.22,;-10.87,.89,;3.37,-2.69,;3.37,-4.23,;4.83,-4.71,;5.74,-3.46,;7.27,-3.3,;7.89,-1.9,;6.99,-.65,;5.46,-.81,;4.83,-2.22,;9.43,-1.74,;10.96,-1.58,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1cccnc1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.52,1.78,;2.18,2.55,;2.18,4.09,;.85,1.78,;.85,.24,;2.18,-.53,;2.18,-2.07,;.85,-2.84,;-.49,-2.07,;-.49,-.53,;-1.82,.24,;-1.82,1.78,;-3.15,-.53,;-4.49,.24,;-5.82,-.53,;-7.15,.24,;-7.15,1.78,;-7.15,3.32,;-5.82,2.55,;-4.49,1.78,;-8.49,2.55,;-8.49,4.09,;-9.82,4.86,;-11.16,4.09,;-11.16,2.55,;-9.82,1.78,;3.52,-2.84,;3.52,-4.38,;4.98,-4.86,;5.88,-3.61,;7.42,-3.45,;8.04,-2.04,;7.14,-.8,;5.61,-.96,;4.98,-2.37,;9.57,-1.88,;11.11,-1.72,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1ccccn1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.52,1.78,;2.18,2.55,;2.18,4.09,;.85,1.78,;.85,.24,;2.18,-.53,;2.18,-2.07,;.85,-2.84,;-.49,-2.07,;-.49,-.53,;-1.82,.24,;-1.82,1.78,;-3.15,-.53,;-4.49,.24,;-5.82,-.53,;-7.15,.24,;-7.15,1.78,;-7.15,3.32,;-5.82,2.55,;-4.49,1.78,;-8.49,2.55,;-8.49,4.09,;-9.82,4.86,;-11.16,4.09,;-11.16,2.55,;-9.82,1.78,;3.52,-2.84,;3.52,-4.38,;4.98,-4.86,;5.88,-3.61,;7.42,-3.45,;8.04,-2.04,;7.14,-.8,;5.61,-.96,;4.98,-2.37,;9.57,-1.88,;11.11,-1.72,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1ccncc1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.52,1.78,;2.18,2.55,;2.18,4.09,;.85,1.78,;.85,.24,;2.18,-.53,;2.18,-2.07,;.85,-2.84,;-.49,-2.07,;-.49,-.53,;-1.82,.24,;-1.82,1.78,;-3.15,-.53,;-4.49,.24,;-5.82,-.53,;-7.15,.24,;-7.15,1.78,;-7.15,3.32,;-5.82,2.55,;-4.49,1.78,;-8.49,2.55,;-9.82,1.78,;-11.16,2.55,;-11.16,4.09,;-9.82,4.86,;-8.49,4.09,;3.52,-2.84,;3.52,-4.38,;4.98,-4.86,;5.88,-3.61,;7.42,-3.45,;8.04,-2.04,;7.14,-.8,;5.61,-.96,;4.98,-2.37,;9.57,-1.88,;11.11,-1.72,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](F)(CC1)c1nccs1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.37,1.93,;2.03,2.7,;2.03,4.24,;.7,1.93,;.7,.39,;2.03,-.38,;2.03,-1.92,;.7,-2.69,;-.63,-1.92,;-.63,-.38,;-1.97,.39,;-1.97,1.93,;-3.3,-.38,;-4.64,.39,;-5.97,-.38,;-7.3,.39,;-7.3,1.93,;-7.3,3.47,;-5.97,2.7,;-4.64,1.93,;-8.64,2.7,;-8.64,4.24,;-10.1,4.71,;-11.01,3.47,;-10.1,2.22,;3.37,-2.69,;3.37,-4.23,;4.83,-4.71,;5.74,-3.46,;7.27,-3.3,;7.89,-1.9,;6.99,-.65,;5.46,-.81,;4.83,-2.22,;9.43,-1.74,;10.96,-1.58,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](F)(CC1)c1nccn1C)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.37,1.93,;2.03,2.7,;2.03,4.24,;.7,1.93,;.7,.39,;2.03,-.38,;2.03,-1.92,;.7,-2.69,;-.63,-1.92,;-.63,-.38,;-1.97,.39,;-1.97,1.93,;-3.3,-.38,;-4.64,.39,;-5.97,-.38,;-7.3,.39,;-7.3,1.93,;-7.3,3.47,;-5.97,2.7,;-4.64,1.93,;-8.64,2.7,;-8.64,4.24,;-10.1,4.71,;-11.01,3.47,;-10.1,2.22,;-10.87,.89,;3.37,-2.69,;3.37,-4.23,;4.83,-4.71,;5.74,-3.46,;7.27,-3.3,;7.89,-1.9,;6.99,-.65,;5.46,-.81,;4.83,-2.22,;9.43,-1.74,;10.96,-1.58,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@](F)(CC1)c1nccn1C)-n1ccc2cc(cnc12)C#N |r,wU:16.17,wD:13.13,(3.37,1.93,;2.03,2.7,;2.03,4.24,;.7,1.93,;.7,.39,;2.03,-.38,;2.03,-1.92,;.7,-2.69,;-.63,-1.92,;-.63,-.38,;-1.97,.39,;-1.97,1.93,;-3.3,-.38,;-4.64,.39,;-4.64,1.93,;-5.97,2.7,;-7.3,1.93,;-7.3,3.47,;-7.3,.39,;-5.97,-.38,;-8.64,2.7,;-8.64,4.24,;-10.1,4.71,;-11.01,3.47,;-10.1,2.22,;-10.87,.89,;3.37,-2.69,;3.37,-4.23,;4.83,-4.71,;5.74,-3.46,;7.27,-3.3,;7.89,-1.9,;6.99,-.65,;5.46,-.81,;4.83,-2.22,;9.43,-1.74,;10.96,-1.58,)|
CC(C)Nc1cc(ncc1C(=O)NC1CCC2(CC1)NC(=O)NC2=O)-n1ccc2cc(cnc12)C#N |(3.43,2.16,;2.1,2.93,;2.1,4.47,;.76,2.16,;.76,.62,;2.1,-.15,;2.1,-1.69,;.76,-2.46,;-.57,-1.69,;-.57,-.15,;-1.91,.62,;-1.91,2.16,;-3.24,-.15,;-4.57,.62,;-4.57,2.16,;-5.91,2.93,;-7.24,2.16,;-7.24,.62,;-5.91,-.15,;-8.7,1.69,;-9.61,2.93,;-11.15,2.93,;-8.7,4.18,;-7.24,3.7,;-5.91,4.47,;3.43,-2.46,;3.43,-4,;4.89,-4.47,;5.8,-3.23,;7.33,-3.07,;7.96,-1.66,;7.05,-.41,;5.52,-.57,;4.89,-1.98,;9.49,-1.5,;11.02,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CCC(=CC1)c1ccncc1)-n1ccc2cc(cnc12)C#N |r,c:17|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(nc12)N(C)C |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(N)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(NCC(C)(C)O)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(NCCO)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(nc12)N1CC[C@H](O)C1 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(nc12)N1CC[C@@H](O)C1 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)OP(O)(O)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
CC[C@@H](C)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
COc1cnc2n(ncc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)NC(=O)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
COC1CCC(CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |(-10.3,2.16,;-8.97,2.93,;-7.63,2.16,;-6.3,2.93,;-4.97,2.16,;-4.97,.62,;-6.3,-.15,;-7.63,.62,;-3.63,-.15,;-2.3,.62,;-2.3,2.16,;-.96,-.15,;-.96,-1.69,;.37,-2.46,;1.7,-1.69,;1.7,-.15,;.37,.62,;.37,2.16,;1.7,2.93,;1.7,4.47,;3.04,2.16,;3.04,-2.46,;3.04,-4,;4.5,-4.47,;5.41,-3.23,;6.94,-3.07,;7.56,-1.66,;6.66,-.41,;5.13,-.57,;4.5,-1.98,;9.1,-1.5,;10.63,-1.34,)|
CCCCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCCCN1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(F)[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCCN1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(CCF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCC(=O)N1CCOCC1)-n1ncc2cc(cnc12)C#N
COC(=O)CCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CCOP(=O)(CCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N)OCC
CC(C)Nc1cc(ncc1C(=O)NCC1CCS(=O)(=O)C1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCN1CCS(=O)(=O)CC1)-n1ncc2cc(cnc12)C#N
CCNC(=O)CCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCCc1ncn[nH]1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(C)cnc12 |r,wU:13.13,wD:16.20,(3.64,2.16,;2.31,2.93,;2.31,4.47,;.97,2.16,;.97,.62,;2.31,-.15,;2.31,-1.69,;.97,-2.46,;-.36,-1.69,;-.36,-.15,;-1.7,.62,;-1.7,2.16,;-3.03,-.15,;-4.36,.62,;-5.7,-.15,;-7.03,.62,;-7.03,2.16,;-5.7,2.93,;-4.36,2.16,;-8.36,2.93,;-8.36,4.47,;-9.7,2.16,;-9.7,3.7,;3.64,-2.46,;3.64,-4,;5.1,-4.47,;6.01,-3.23,;7.54,-3.07,;8.17,-1.66,;9.7,-1.5,;7.26,-.41,;5.73,-.57,;5.1,-1.98,)|
CCOC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)Nc1ccc(nc1)N1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1ccc(O)cn1)-n1ncc2cc(cnc12)C#N
CNC(=O)C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r,wU:5.4,wD:8.11,(-11.86,2.16,;-10.53,2.93,;-9.2,2.16,;-9.2,.62,;-7.86,2.93,;-6.53,2.16,;-5.19,2.93,;-3.86,2.16,;-3.86,.62,;-5.19,-.15,;-6.53,.62,;-2.53,-.15,;-1.19,.62,;-1.19,2.16,;.14,-.15,;.14,-1.69,;1.47,-2.46,;2.81,-1.69,;2.81,-.15,;1.47,.62,;1.47,2.16,;2.81,2.93,;4.14,2.16,;2.81,4.47,;4.14,-2.46,;4.14,-4,;5.61,-4.47,;6.51,-3.23,;8.04,-3.07,;8.67,-1.66,;7.76,-.41,;6.23,-.57,;5.61,-1.98,;10.2,-1.5,;11.73,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)NCCNS(C)(=O)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC1CCCCO1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1ccc(cn1)N1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1ccc(cc1)N1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1cc2cc[nH]c2cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1cnc(nc1)N1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1ccc(OCCN(C)C)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1ccc(CN2CCOCC2)cc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1ccc(nc1)N1CCNCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1ccc(nc1)N(C)C)-n1ncc2cc(cnc12)C#N
CNC(=O)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(=O)N[C@@H](C)CO)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C(F)F |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(O)C(C)C)-n1ncc2cc(cnc12)C#N |r|
CC(C)(CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1ccc(cn1)C(C)(C)O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCOC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC(C)O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)c1ncccn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1ccc(cn1)N1CCN(C)CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC(=O)N1CCN(C)CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCC(F)C1(O)COC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](C1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CCCN(C1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
COC1CCN(CC1)c1ccc(NC(=O)c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)cn1
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCN(C)CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCN(CC1)C1COC1)-n1ncc2cc(cnc12)C#N
COC1CCN(CC1)c1ccc(NC(=O)c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)nc1
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCNC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(=O)N1CCOCC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(=O)N1CCN(CC1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCC(F)C1(O)COC1)-n1ncc2cc(Cl)cnc12
CC(C)Nc1cc(ncc1C(=O)NCCc1ccncc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(F)cc1)-n1ncc2cc(cnc12)C#N
COc1ccc(CCNC(=O)c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)cc1
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)NCC1CC1C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12
CC(C)Nc1cc(ncc1C(=O)NCCC(C)NS(C)(=O)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC1CCN(C)CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCc1nc(Cc2ccccc2)no1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1cnn(c1)C1COC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(cc1)N(CS(=O)=O)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(NC(C)=O)cc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1cnn(c1)C1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)S(=O)(=O)C(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)C(=O)C(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C)O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,22.25,(2.87,4.47,;2.87,2.93,;4.21,2.16,;1.54,2.16,;1.54,.62,;2.87,-.15,;2.87,-1.69,;1.54,-2.46,;.21,-1.69,;.21,-.15,;-1.13,.62,;-1.13,2.16,;-2.46,-.15,;-3.8,.62,;-5.13,-.15,;-6.46,.62,;-6.46,2.16,;-5.13,2.93,;-3.8,2.16,;-7.8,2.93,;-9.13,2.16,;-9.13,.62,;-10.46,2.93,;-11.8,2.16,;-10.46,4.47,;4.21,-2.46,;4.21,-4,;5.67,-4.47,;6.58,-3.23,;8.11,-3.07,;8.73,-1.66,;7.83,-.41,;6.3,-.57,;5.67,-1.98,;10.27,-1.5,;11.8,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)NCCC1CCN(CC1)C(=O)C[N+]#[C-])-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCc1cccnc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCC(C)(O)CC1)-n1ncc2cc(cnc12)C#N |(2.21,4.47,;2.21,2.93,;3.54,2.16,;.87,2.16,;.87,.62,;2.21,-.15,;2.21,-1.69,;.87,-2.46,;-.46,-1.69,;-.46,-.15,;-1.79,.62,;-1.79,2.16,;-3.13,-.15,;-4.46,.62,;-5.8,-.15,;-7.13,.62,;-7.13,-.92,;-7.13,2.16,;-8.46,2.93,;-9.8,2.16,;-11.13,2.93,;-9.8,3.7,;-9.8,.62,;-8.46,-.15,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)C(=O)C1CN(C1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCC(F)(F)CC1)-n1ncc2cc(cnc12)C#N
CC(C)CC(=O)NCc1cnc2n(ncc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(ncc1C(=O)Nc1cnn(c1)C1CN(C1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)c(N)nc12 |r|
CC[C@@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)c(N)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
CC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](C)O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,22.25,wD:16.20,(2.87,4.47,;2.87,2.93,;4.21,2.16,;1.54,2.16,;1.54,.62,;2.87,-.15,;2.87,-1.69,;1.54,-2.46,;.21,-1.69,;.21,-.15,;-1.13,.62,;-1.13,2.16,;-2.46,-.15,;-3.8,.62,;-5.13,-.15,;-6.46,.62,;-6.46,2.16,;-5.13,2.93,;-3.8,2.16,;-7.8,2.93,;-9.13,2.16,;-9.13,.62,;-10.46,2.93,;-11.8,2.16,;-10.46,4.47,;4.21,-2.46,;4.21,-4,;5.67,-4.47,;6.58,-3.23,;8.11,-3.07,;8.73,-1.66,;7.83,-.41,;6.3,-.57,;5.67,-1.98,;10.27,-1.5,;11.8,-1.34,)|
CC(C)(C)Nc1cc(ncc1C(=O)NCCC(C)(C)F)-n1ncc2cc(cnc12)C#N
CC[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CCS(=O)(=O)N1CCC(CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
COC1CCC(O)(CCNC(=O)c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)CC1 |(-11.66,2.04,;-10.33,2.81,;-9,2.04,;-7.66,2.81,;-6.33,2.04,;-6.33,.5,;-6.33,-1.04,;-4.99,-.27,;-3.66,.5,;-2.33,-.27,;-.99,.5,;-.99,2.04,;.34,-.27,;.34,-1.81,;1.67,-2.58,;3.01,-1.81,;3.01,-.27,;1.67,.5,;1.67,2.04,;3.01,2.81,;3.01,4.35,;4.34,2.04,;4.34,-2.58,;4.58,-4.1,;6.1,-4.35,;6.8,-2.97,;8.29,-2.58,;8.69,-1.09,;7.6,0,;6.11,-.4,;5.71,-1.88,;10.18,-.69,;11.66,-.29,;-7.66,-.27,;-9,.5,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
[#6]-[#6](-[#6])-[#7]-c1cc(ncc1-[#6](=O)-[#7]-[#6]\[#6](F)=[#6]-1/[#6]-[#6]-[#8]-[#6]-[#6]-1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-n1ncc2cc(C#N)c(N)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CC[C@H](OC1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N)C(F)(F)F |r|
CC(C)CCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC1CC1)-n1ncc2cc(C#N)c(N)nc12
CC[C@@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
CC(Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12)C(F)(F)F |r|
CC(C)Nc1cc(ncc1C(=O)NCCC1CC1)-n1ncc2cc(cnc12)C#N
CC(C)CCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(C#N)c(N)nc12
CC(C)Nc1cc(ncc1C(=O)Nc1cnn(CC(C)(C)O)c1)-n1ncc2cc(cnc12)C#N
CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(C#N)c(N)nc12
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)NS(C)(=O)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)F)-n1ncc2cc(C#N)c(N)nc12
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)S(=O)(=O)NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCc1c[nH]cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)C)-n1ncc2cc(cnc12)C#N |r|
CNS(=O)(=O)N1CCC(CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)OC(F)F)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(O)(C1CC1)C1CC1)-n1ncc2cc(cnc12)C#N |r|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11,2.81,;-9.66,2.04,;-8.33,2.81,;-8.33,4.35,;-7,2.04,;-7,.5,;-5.66,-.27,;-4.33,.5,;-4.33,2.04,;-5.66,2.81,;-2.99,-.27,;-1.66,.5,;-1.66,2.04,;-.33,-.27,;-.33,-1.81,;1.01,-2.58,;2.34,-1.81,;2.34,-.27,;1.01,.5,;1.01,2.04,;2.34,2.81,;2.34,4.35,;3.67,2.04,;3.67,-2.58,;3.91,-4.1,;5.44,-4.35,;6.14,-2.97,;7.62,-2.58,;8.02,-1.09,;6.93,0,;5.44,-.4,;5.05,-1.88,;9.51,-.69,;11,-.29,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-n1ncc2cc(C#N)c(N)nc12 |r,wU:13.13,wD:16.20,(2.34,4.35,;2.34,2.81,;3.67,2.04,;1.01,2.04,;1.01,.5,;2.34,-.27,;2.34,-1.81,;1.01,-2.58,;-.33,-1.81,;-.33,-.27,;-1.66,.5,;-1.66,2.04,;-2.99,-.27,;-4.33,.5,;-5.66,-.27,;-7,.5,;-7,2.04,;-5.66,2.81,;-4.33,2.04,;-8.33,2.81,;-9.66,2.04,;-11,2.81,;-9.66,.5,;3.67,-2.58,;3.91,-4.1,;5.44,-4.35,;6.14,-2.97,;7.62,-2.58,;8.02,-1.09,;9.51,-.69,;11,-.29,;6.93,0,;7.33,1.49,;5.44,-.4,;5.05,-1.88,)|
C[C@@H](CO)Nc1cc(ncc1C(=O)NCCC1CC1)-n1ncc2cc(cnc12)C#N |r|
CCCCNC(=O)c1cnc(cc1N[C@@H](C)CO)-n1ncc2cc(cnc12)C#N |r|
CC(C)CCNC(=O)c1cnc(cc1N[C@@H](C)CO)-n1ncc2cc(cnc12)C#N |r|
COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(C#N)c(N)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC1(C)CC1)-n1ncc2cc(C#N)c(N)nc12
CC(C)Nc1cc(ncc1C(=O)N[C@H](C)C1CC1)-n1ncc2cc(C#N)c(N)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC1CCCCC1)-n1ncc2cc(C#N)c(N)nc12
CC(C)Nc1cc(ncc1C(=O)NC1(CC1)[N+]#[C-])-n1ncc2cc(C#N)c(N)nc12
CCCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(C#N)c(N)nc12
CC(C)Nc1cc(ncc1C(=O)NC1CCC=C1)-n1ncc2cc(C#N)c(N)nc12 |c:17|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](C)F)-n1ncc2cc(C#N)c(N)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)NCC(F)C1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-n1ncc2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(F)F)-n1ncc2cc(cnc12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1cnc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cnc(NC[C@@H](F)C(C)(C)O)nc12 |r|
CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1cnc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1cnc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1cnc2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1cnc2cc(C#N)c(N)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-n1cnc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-n1cnc2cc(cnc12)C#N |r|
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1cnc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1cnc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-n1cnc2cnc(N)nc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1COC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCOCC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(C)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCOCC1)-n1ncc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-n1ncc2cc(Cl)cnc12 |r|
CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
CC(C)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
CC(C)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1cnc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-n1cnc2cc(Cl)cnc12 |r|
CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(Cl)cnc23)cn1 |r|
CC(C)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(Cl)cnc23)cn1 |r|
COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(Cl)cnc23)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-n1ncc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-n1ncc2cc(cnc12)C#N |r|
CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-n1cnc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-n1ccc2cc(cnc12)C#N |r|
CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCOCC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCC#N)c1)-n1cnc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1cnc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCC#N)c1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCC#N)c1)-n1ncc2cc(Cl)cnc12 |r|
CC(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(cnc23)C#N)cn1 |r|
CC(Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(cnc23)C#N)cn1)OC(F)F |r|
CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(Cl)cnc23)cn1 |r|
CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(F)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
CCNC(=O)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
CC(C)NC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
CCCNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
CC(C)(C)NC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
CC(C)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
CCOCCNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
CCNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-n1ncc2cc(Cl)cnc12 |r|
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-9,3.64,;-9,2.1,;-10.33,1.33,;-10.33,2.87,;-7.66,1.33,;-7.66,-.21,;-6.33,-.98,;-4.99,-.21,;-4.99,1.33,;-6.33,2.1,;-3.66,-.98,;-2.33,-.21,;-2.33,1.33,;-.99,-.98,;-.99,-2.52,;.34,-3.29,;1.67,-2.52,;1.67,-.98,;.34,-.21,;.34,1.33,;1.67,2.1,;1.67,3.64,;3.14,4.12,;4.04,2.87,;5.53,2.47,;6.62,3.56,;8.11,3.16,;6.22,5.05,;3.14,1.63,;3.01,-3.29,;3.25,-4.81,;4.77,-5.05,;5.47,-3.68,;6.96,-3.28,;7.35,-1.79,;6.27,-.7,;4.78,-1.1,;4.38,-2.59,;8.84,-1.39,;10.33,-.99,)|
CC(C)(O)C(F)(F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-n1cnc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-n1cnc2cc(cnc12)C#N |r|
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1cnc2cc(Cl)cnc12 |r|
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1cnc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cc(n[nH]1)C1CC1)-n1ncc2cc(cnc12)C#N |r|
Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)[nH]n1 |r|
CC(C)c1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)[nH]n1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(CC(F)F)n1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(CC(F)(F)F)n1)-n1ncc2cc(cnc12)C#N |r|
Cn1nccc1Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)-c1ncccn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)-c1ncc(F)cn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cc(n[nH]1)-c1ccccc1)-n1ncc2cc(cnc12)C#N |r|
Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)n(C)n1 |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ccc2cc(ccc12)C#N |r,wU:13.13,wD:16.20,(1.51,4.47,;1.51,2.93,;2.84,2.16,;.18,2.16,;.18,.62,;1.51,-.15,;1.51,-1.69,;.18,-2.46,;-1.16,-1.69,;-1.16,-.15,;-2.49,.62,;-2.49,2.16,;-3.82,-.15,;-5.16,.62,;-6.49,-.15,;-7.83,.62,;-7.83,2.16,;-6.49,2.93,;-5.16,2.16,;-9.16,2.93,;-10.49,2.16,;-9.16,4.47,;-10.49,3.7,;2.84,-2.46,;2.84,-4,;4.31,-4.47,;5.21,-3.23,;6.75,-3.07,;7.37,-1.66,;6.47,-.41,;4.94,-.57,;4.31,-1.98,;8.9,-1.5,;10.44,-1.34,)|
CC(C)(O)\C=C\Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@](F)(CC1)c1nccn1C)-n1ccc2cc(cnc12)C#N |r,wU:16.17,wD:13.13,(2.19,4.11,;2.19,2.57,;3.53,1.8,;.86,1.8,;.86,.26,;2.19,-.51,;2.19,-2.05,;.86,-2.82,;-.48,-2.05,;-.48,-.51,;-1.81,.26,;-1.81,1.8,;-3.14,-.51,;-4.48,.26,;-4.48,1.8,;-5.81,2.57,;-7.14,1.8,;-7.14,3.34,;-7.14,.26,;-5.81,-.51,;-8.48,2.57,;-8.48,4.11,;-9.94,4.58,;-10.85,3.34,;-9.94,2.09,;-10.71,.76,;3.53,-2.82,;3.77,-4.34,;5.29,-4.58,;5.99,-3.21,;7.47,-2.81,;7.87,-1.33,;6.78,-.24,;5.3,-.64,;4.9,-2.12,;9.36,-.93,;10.85,-.53,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncoc2c1)-n1ccc2cc(cnc12)C#N |r|
CC(O)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
Cc1ccc(CNc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r|
Cn1nccc1Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(F)(F)F)-n1ccc2cc(cnc12)C#N |r|
CC(CCF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(F)cnc12 |r,wU:7.10,wD:4.3,(-9.59,2.04,;-8.25,2.81,;-8.25,4.35,;-9.59,3.58,;-6.92,2.04,;-6.92,.5,;-5.58,-.27,;-4.25,.5,;-4.25,2.04,;-5.58,2.81,;-2.92,-.27,;-1.58,.5,;-1.58,2.04,;-.25,-.27,;-.25,-1.81,;1.08,-2.58,;2.42,-1.81,;2.42,-.27,;1.08,.5,;1.08,2.04,;2.42,2.81,;3.96,2.81,;3.19,4.14,;3.75,-2.58,;3.99,-4.1,;5.51,-4.35,;6.21,-2.97,;7.7,-2.58,;8.1,-1.09,;9.59,-.69,;7.01,0,;5.52,-.4,;5.12,-1.88,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.33,2.04,;-9,2.81,;-9,4.35,;-10.33,3.58,;-7.66,2.04,;-7.66,.5,;-6.33,-.27,;-4.99,.5,;-4.99,2.04,;-6.33,2.81,;-3.66,-.27,;-2.33,.5,;-2.33,2.04,;-.99,-.27,;-.99,-1.81,;.34,-2.58,;1.67,-1.81,;1.67,-.27,;.34,.5,;.34,2.04,;1.67,2.81,;3.21,2.81,;2.44,4.14,;3.01,-2.58,;3.25,-4.1,;4.77,-4.35,;5.47,-2.97,;6.96,-2.58,;7.35,-1.09,;6.27,0,;4.78,-.4,;4.38,-1.88,;8.84,-.69,;10.33,-.29,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(C#N)c1F)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)-c1ncc[nH]1)-n1ccc2cc(cnc12)C#N |r|
C[C@@H](CO)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ccc2cc(F)cnc12 |r,wU:14.14,1.0,wD:17.21,(2.42,4.35,;2.42,2.81,;3.75,2.04,;5.08,2.81,;1.08,2.04,;1.08,.5,;2.42,-.27,;2.42,-1.81,;1.08,-2.58,;-.25,-1.81,;-.25,-.27,;-1.58,.5,;-1.58,2.04,;-2.92,-.27,;-4.25,.5,;-5.58,-.27,;-6.92,.5,;-6.92,2.04,;-5.58,2.81,;-4.25,2.04,;-8.25,2.81,;-9.59,2.04,;-8.25,4.35,;-9.59,3.58,;3.75,-2.58,;3.99,-4.1,;5.51,-4.35,;6.21,-2.97,;7.7,-2.58,;8.1,-1.09,;9.59,-.69,;7.01,0,;5.52,-.4,;5.12,-1.88,)|
CCn1nnnc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cc1 |r|
CC(C)NC(=O)[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2nn[nH]c2c1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2[nH]ncc2c1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2nc[nH]c2c1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCOC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCOC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)C(C)(O)C1CC1)-n1ccc2cc(cnc12)C#N |r,wD:16.20,(1.67,3.68,;1.67,2.14,;3.01,1.37,;.34,1.37,;.34,-.17,;1.67,-.94,;1.67,-2.48,;.34,-3.25,;-.99,-2.48,;-.99,-.94,;-2.33,-.17,;-2.33,1.37,;-3.66,-.94,;-4.99,-.17,;-6.33,-.94,;-7.66,-.17,;-7.66,1.37,;-6.33,2.14,;-4.99,1.37,;-9,2.14,;-10.33,1.37,;-10.33,2.91,;-9,3.68,;-8.23,5.01,;-9.77,5.01,;3.01,-3.25,;3.25,-4.77,;4.77,-5.01,;5.47,-3.64,;6.96,-3.24,;7.35,-1.75,;6.27,-.67,;4.78,-1.06,;4.38,-2.55,;8.84,-1.36,;10.33,-.96,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(CO)C1)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CCN(CS(=O)=O)CC1)-n1ccc2cc(cnc12)C#N
CCOC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncc(F)cn1)-n1ccc2cc(cnc12)C#N |r|
C[C@@H](Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N)C1CC1 |r|
C[C@H](Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N)C1CC1 |r|
CC(C)Nc1cc(ncc1C(=O)NCCNS(=O)(=O)N1CCOCC1)-n1ccc2cc(cnc12)C#N
CS(=O)(=O)NCCNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N
CC(C)CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1COC[C@H]1O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(C)OC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1COC[C@H]1F)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1c1c[nH]cn1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)S(C)(=O)=O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)c1ccccc1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)S(C)(=O)=O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCNC1)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCC(=O)N1CCN(C)CC1)-n1ccc2cc(cnc12)C#N
CC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(=O)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1ccnc1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CN(C1)c1ncc(F)cn1)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)C(=O)CC(F)(F)F)-n1ccc2cc(cnc12)C#N |r|
COC(=O)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CNC1)-n1ccc2cc(cnc12)C(N)=O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CN(C1)S(C)(=O)=O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)C(=O)CC#N)-n1ccc2cc(cnc12)C#N |r|
C[C@@H](CO)Nc1cc(ncc1C(=O)NCCNS(C)(=O)=O)-n1ccc2cc(cnc12)C#N |r|
CS(=O)(=O)NCCNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCN1CCOCC1)-n1ccc2cc(cnc12)C#N |r|
COC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CCOCC1)-n1ccc2cc(cnc12)C#N |r|
CC1COCCN1CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COCC1(F)F)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(N)=O)-n1ccc2cc(cnc12)C#N |r,wU:17.17,4.4,wD:20.24,(-7.56,.67,;-8.33,-.66,;-9.1,.67,;-9.66,-1.43,;-7,-1.43,;-7,-2.97,;-5.66,-.66,;-4.33,-1.43,;-2.99,-.66,;-2.99,.88,;-1.66,-1.43,;-1.66,-2.97,;-.33,-3.74,;1.01,-2.97,;1.01,-1.43,;-.33,-.66,;-.33,.88,;1.01,1.65,;1.01,3.19,;2.34,3.96,;3.67,3.19,;3.67,1.65,;2.34,.88,;5.01,3.96,;6.34,3.19,;5.01,5.5,;2.34,-3.74,;2.58,-5.26,;4.1,-5.5,;4.8,-4.13,;6.29,-3.73,;6.69,-2.24,;5.6,-1.15,;4.11,-1.55,;3.71,-3.04,;8.18,-1.84,;9.66,-1.45,)|
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCCC1)-n1ccc2cc(cnc12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(C1)NCC(F)(F)F)-n1ccc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(N)C1)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCC(F)C1(O)COC1)-n1ccc2cc(cnc12)C#N
CC(C)CC(O)[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](C1)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CC(C)COC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)CC(C)(C)O)cnc12 |r|
CCN(CC)C(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CCOC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)OC(C)C)cnc12 |r|
CC(C)CC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)CC3CCCC3)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)C3CC3)cnc12 |r|
C[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
C[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
CCCOC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H](C1)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r,wU:4.4,19.22,wD:17.17,(-7.56,.9,;-8.33,-.43,;-9.1,.9,;-9.66,-1.2,;-7,-1.2,;-7,-2.74,;-5.66,-.43,;-4.33,-1.2,;-2.99,-.43,;-2.99,1.11,;-1.66,-1.2,;-1.66,-2.74,;-.33,-3.51,;1.01,-2.74,;1.01,-1.2,;-.33,-.43,;-.33,1.11,;1.01,1.88,;2.49,1.48,;2.89,2.97,;1.41,3.36,;4.23,3.74,;4.23,5.28,;5.56,2.97,;5.56,4.51,;2.34,-3.51,;2.58,-5.03,;4.1,-5.28,;4.8,-3.9,;6.29,-3.51,;6.69,-2.02,;5.6,-.93,;4.11,-1.33,;3.71,-2.81,;8.18,-1.62,;9.66,-1.22,)|
CCCC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)CC3CCCCC3)cnc12 |r|
CC(C)CCC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CCCNC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)NCc3ccccc3)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)Cc3ccccc3)cnc12 |r|
CCCCNC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(O)c1)-n1ccc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)CC3CCOCC3)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)CC(C)(C)C)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)C3CCOC3)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ncc(s1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C#N)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C#N)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncsc2c1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncoc2c1)-n1ncc2cc(cnc12)C(N)=O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1cncn1)-n1ncc2cc(cnc12)C#N |r|
Cn1nnnc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(C#N)c1F)-n1ncc2cc(cnc12)C#N |r|
Cc1nnc(s1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cc1 |r|
Cn1cc(cn1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncc(F)cn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCN(C1)c1ncc(F)cn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)c1ccccc1)-n1ncc2cc(cnc12)C#N |r|
COc1cnc(nc1)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncccn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)C(=O)c1ccc(F)cc1F)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CN(C1)c1ncc(F)cn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)c1ncc(F)cn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CN(C1)c1ncc(Cl)cn1)-n1ncc2cc(cnc12)C#N |r|
COC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CCOC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCOC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCOC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCOC1)-n1ncc2cc(F)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)N1CCc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(F)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(Cl)cnc12 |r|
CO[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N |r,wU:5.8,wD:2.1,(-10.33,2.06,;-9,2.83,;-7.66,2.06,;-7.66,.52,;-6.33,-.25,;-4.99,.52,;-4.99,2.06,;-6.33,2.83,;-3.66,-.25,;-2.33,.52,;-2.33,2.06,;-.99,-.25,;-.99,-1.79,;.34,-2.56,;1.67,-1.79,;1.67,-.25,;.34,.52,;.34,2.06,;1.67,2.83,;3.16,2.43,;3.56,3.92,;2.07,4.32,;3.01,-2.56,;3.25,-4.08,;4.77,-4.32,;5.47,-2.95,;6.96,-2.55,;7.35,-1.06,;6.27,.03,;4.78,-.37,;4.38,-1.86,;8.84,-.66,;10.33,-.26,)|
CC(C)(O)CCNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COCC1(F)F)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.33,2.04,;-9,2.81,;-9,4.35,;-10.33,3.58,;-7.66,2.04,;-7.66,.5,;-6.33,-.27,;-4.99,.5,;-4.99,2.04,;-6.33,2.81,;-3.66,-.27,;-2.33,.5,;-2.33,2.04,;-.99,-.27,;-.99,-1.81,;.34,-2.58,;1.67,-1.81,;1.67,-.27,;.34,.5,;.34,2.04,;1.67,2.81,;3.16,2.41,;3.56,3.89,;2.07,4.29,;3.01,-2.58,;3.25,-4.1,;4.77,-4.35,;5.47,-2.97,;6.96,-2.58,;7.35,-1.09,;6.27,0,;4.78,-.4,;4.38,-1.88,;8.84,-.69,;10.33,-.29,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(Cl)cnc12 |r,wU:7.10,wD:4.3,(-9.59,2.04,;-8.25,2.81,;-8.25,4.35,;-9.59,3.58,;-6.92,2.04,;-6.92,.5,;-5.58,-.27,;-4.25,.5,;-4.25,2.04,;-5.58,2.81,;-2.92,-.27,;-1.58,.5,;-1.58,2.04,;-.25,-.27,;-.25,-1.81,;1.08,-2.58,;2.42,-1.81,;2.42,-.27,;1.08,.5,;1.08,2.04,;2.42,2.81,;3.9,2.41,;4.3,3.89,;2.82,4.29,;3.75,-2.58,;3.99,-4.1,;5.51,-4.35,;6.21,-2.97,;7.7,-2.58,;8.1,-1.09,;9.59,-.69,;7.01,0,;5.52,-.4,;5.12,-1.88,)|
CC(C)CCNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N
Nc1nc2n(ncc2cc1C#N)-c1cc(NC2COC2)c(cn1)C(=O)NCCC1CC1
CCCCNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(C#N)c(N)nc12
CC(C)CCNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(C#N)c(N)nc12
CCCCNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ncc2cc(F)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(F)(F)F)-n1ncc2cc(cnc12)C#N |r|
COc1cnc(NC(=O)c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)cn1
CC(CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cncnc12)N1CCOCC1 |r|
CC(C)Nc1cc(ncc1C(=O)NCc1nn[nH]n1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)N1CCc2cc(cnc12)C#N |r|
CC(C)[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(C)(C)N1CCOCC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCc1cocn1)-n1ncc2cc(cnc12)C#N |r|
CC(O)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)F)-n1ncc2cc(cnc12)C#N |r|
CC(F)(CO)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(C)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cnc(N)nc12 |r|
CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cnc(N)nc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(F)CCC1)-n1ncc2cc(cnc12)C#N |r|
C[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
C[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(CN)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCNS(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCNC(=O)OC(C)(C)C(F)(F)F)-n1ncc2cc(cnc12)C#N |r|
CC[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r|
C[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
C[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
COC(C)(C)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)C(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCCF)-n1ncc2cc(cnc12)C#N |r|
CC(C)C(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCOC(F)F)-n1ncc2cc(cnc12)C#N |r|
CC(C)(F)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
CC(C)(F)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N)OC(F)F |r|
CC[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r|
CC(C)(CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12)OC(F)F |r|
CC(F)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.23,.8,;-8.46,-.53,;-7.69,.8,;-9.8,-1.3,;-7.13,-1.3,;-7.13,-2.84,;-5.8,-.53,;-4.46,-1.3,;-3.13,-.53,;-3.13,1.01,;-1.79,-1.3,;-1.79,-2.84,;-.46,-3.61,;.87,-2.84,;.87,-1.3,;-.46,-.53,;-.46,1.01,;.87,1.78,;.87,3.32,;2.21,4.09,;3.54,3.32,;3.54,1.78,;2.21,1.01,;4.87,4.09,;4.87,5.63,;6.21,3.32,;6.21,4.86,;2.21,-3.61,;2.21,-5.15,;3.67,-5.63,;4.58,-4.38,;6.11,-4.22,;6.73,-2.81,;5.83,-1.57,;4.3,-1.73,;3.67,-3.14,;8.27,-2.65,;9.8,-2.49,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@](C)(O)CC1)-n1ncc2cc(cnc12)C#N |r,wU:17.17,4.4,20.22,wD:20.21,(-7.56,1.16,;-8.33,-.17,;-9.1,1.16,;-9.66,-.94,;-7,-.94,;-7,-2.48,;-5.66,-.17,;-4.33,-.94,;-2.99,-.17,;-2.99,1.37,;-1.66,-.94,;-1.66,-2.48,;-.33,-3.25,;1.01,-2.48,;1.01,-.94,;-.33,-.17,;-.33,1.37,;1.01,2.14,;1.01,3.68,;2.34,4.45,;3.67,3.68,;5.21,3.68,;4.44,5.01,;3.67,2.14,;2.34,1.37,;2.34,-3.25,;2.58,-4.77,;4.1,-5.01,;4.8,-3.64,;6.29,-3.24,;6.69,-1.75,;5.6,-.67,;4.11,-1.06,;3.71,-2.55,;8.18,-1.36,;9.66,-.96,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@](C)(O)CC1)-n1ncc2cc(cnc12)C#N |r,wU:17.17,4.4,20.21,wD:20.22,(-7.56,1.16,;-8.33,-.17,;-9.1,1.16,;-9.66,-.94,;-7,-.94,;-7,-2.48,;-5.66,-.17,;-4.33,-.94,;-2.99,-.17,;-2.99,1.37,;-1.66,-.94,;-1.66,-2.48,;-.33,-3.25,;1.01,-2.48,;1.01,-.94,;-.33,-.17,;-.33,1.37,;1.01,2.14,;1.01,3.68,;2.34,4.45,;3.67,3.68,;5.21,3.68,;4.44,5.01,;3.67,2.14,;2.34,1.37,;2.34,-3.25,;2.58,-4.77,;4.1,-5.01,;4.8,-3.64,;6.29,-3.24,;6.69,-1.75,;5.6,-.67,;4.11,-1.06,;3.71,-2.55,;8.18,-1.36,;9.66,-.96,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(O)C1)-n1ncc2cc(F)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCC[C@@H](C1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)(F)C1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)N1CCc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](C1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(F)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC1COC1)-n1ncc2cc(cnc12)C#N |r,wU:4.4,20.24,wD:17.17,(-7.56,1.44,;-8.33,.11,;-9.1,1.44,;-9.66,-.66,;-7,-.66,;-7,-2.2,;-5.66,.11,;-4.33,-.66,;-2.99,.11,;-2.99,1.65,;-1.66,-.66,;-1.66,-2.2,;-.33,-2.97,;1.01,-2.2,;1.01,-.66,;-.33,.11,;-.33,1.65,;1.01,2.42,;2.34,1.65,;3.67,2.42,;3.67,3.96,;2.34,4.73,;1.01,3.96,;5.01,4.73,;6.34,3.96,;6.74,2.47,;8.23,2.87,;7.83,4.36,;2.34,-2.97,;2.58,-4.49,;4.1,-4.73,;4.8,-3.36,;6.29,-2.96,;6.69,-1.47,;5.6,-.38,;4.11,-.78,;3.71,-2.27,;8.18,-1.07,;9.66,-.68,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)-n1ncc2cc(cnc12)C#N |r,wU:4.4,20.24,wD:17.17,(-7.56,.78,;-8.33,-.56,;-9.1,.78,;-9.66,-1.33,;-7,-1.33,;-7,-2.87,;-5.66,-.56,;-4.33,-1.33,;-2.99,-.56,;-2.99,.98,;-1.66,-1.33,;-1.66,-2.87,;-.33,-3.64,;1.01,-2.87,;1.01,-1.33,;-.33,-.56,;-.33,.98,;1.01,1.75,;2.34,.98,;3.67,1.75,;3.67,3.29,;2.34,4.06,;1.01,3.29,;5.01,4.06,;6.34,3.29,;6.34,1.75,;7.68,4.06,;9.22,4.06,;8.45,5.4,;2.34,-3.64,;2.58,-5.16,;4.1,-5.4,;4.8,-4.03,;6.29,-3.63,;6.69,-2.14,;5.6,-1.05,;4.11,-1.45,;3.71,-2.94,;8.18,-1.74,;9.66,-1.34,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC3CC(CC(O)(C3)C1)C2)-n1ncc2cc(cnc12)C#N |r,TLB:27:17:25:22.21.20,THB:16:17:25:22.21.20,27:21:25:17.18.26,18:17:22:25.19.20,18:19:22:17.27.26|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](C1)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1N[C@@H]1CCCC[C@H]1F)-n1ncc2cc(C#N)c(N)nc12 |r,wU:7.10,20.21,wD:25.28,4.3,(-11,2.42,;-9.66,1.65,;-8.33,2.42,;-8.33,3.96,;-7,1.65,;-7,.11,;-5.66,-.66,;-4.33,.11,;-4.33,1.65,;-5.66,2.42,;-2.99,-.66,;-1.66,.11,;-1.66,1.65,;-.33,-.66,;-.33,-2.2,;1.01,-2.97,;2.34,-2.2,;2.34,-.66,;1.01,.11,;1.01,1.65,;2.34,2.42,;3.67,1.65,;5.01,2.42,;5.01,3.96,;3.67,4.73,;2.34,3.96,;1.01,4.73,;3.67,-2.97,;3.91,-4.49,;5.44,-4.73,;6.14,-3.36,;7.62,-2.96,;8.02,-1.47,;9.51,-1.07,;11,-.68,;6.93,-.38,;7.33,1.1,;5.45,-.78,;5.05,-2.27,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1N[C@H]1CCCC[C@@H]1F)-n1ncc2cc(C#N)c(N)nc12 |r,wU:7.10,25.28,wD:20.21,4.3,(-11,2.42,;-9.66,1.65,;-8.33,2.42,;-8.33,3.96,;-7,1.65,;-7,.11,;-5.66,-.66,;-4.33,.11,;-4.33,1.65,;-5.66,2.42,;-2.99,-.66,;-1.66,.11,;-1.66,1.65,;-.33,-.66,;-.33,-2.2,;1.01,-2.97,;2.34,-2.2,;2.34,-.66,;1.01,.11,;1.01,1.65,;2.34,2.42,;3.67,1.65,;5.01,2.42,;5.01,3.96,;3.67,4.73,;2.34,3.96,;1.01,4.73,;3.67,-2.97,;3.91,-4.49,;5.44,-4.73,;6.14,-3.36,;7.62,-2.96,;8.02,-1.47,;9.51,-1.07,;11,-.68,;6.93,-.38,;7.33,1.1,;5.45,-.78,;5.05,-2.27,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ncc2cc(C#N)c(N)nc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC3CC(CC(O)(C3)C1)C2)-n1ncc2cc(C#N)c(N)nc12 |r,TLB:27:17:25:22.21.20,THB:16:17:25:22.21.20,27:21:25:17.18.26,18:17:22:25.19.20,18:19:22:17.27.26|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C(F)F)-n1ncc2cc(cnc12)C#N |r,wU:4.4,20.24,wD:17.17,(-9.23,.8,;-8.46,-.53,;-7.69,.8,;-9.8,-1.3,;-7.13,-1.3,;-7.13,-2.84,;-5.8,-.53,;-4.46,-1.3,;-3.13,-.53,;-3.13,1.01,;-1.79,-1.3,;-1.79,-2.84,;-.46,-3.61,;.87,-2.84,;.87,-1.3,;-.46,-.53,;-.46,1.01,;.87,1.78,;2.21,1.01,;3.54,1.78,;3.54,3.32,;2.21,4.09,;.87,3.32,;4.87,4.09,;6.21,3.32,;6.21,1.78,;7.54,4.09,;8.87,3.32,;7.54,5.63,;2.21,-3.61,;2.21,-5.15,;3.67,-5.63,;4.58,-4.38,;6.11,-4.22,;6.73,-2.81,;5.83,-1.57,;4.3,-1.73,;3.67,-3.14,;8.27,-2.65,;9.8,-2.49,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1F)-n1ncc2cc(cnc12)C#N |r,wU:4.4,20.24,wD:17.17,(-9.44,.42,;-8.67,-.92,;-7.9,.42,;-10,-1.69,;-7.34,-1.69,;-7.34,-3.23,;-6,-.92,;-4.67,-1.69,;-3.33,-.92,;-3.33,.62,;-2,-1.69,;-2,-3.23,;-.67,-4,;.67,-3.23,;.67,-1.69,;-.67,-.92,;-.67,.62,;.67,1.39,;2,.62,;3.33,1.39,;3.33,2.93,;2,3.7,;.67,2.93,;4.67,3.7,;6,2.93,;6,1.39,;7.34,3.7,;7.34,5.24,;8.67,6.01,;10,5.24,;10,3.7,;8.67,2.93,;8.67,1.39,;2,-4,;2,-5.54,;3.47,-6.01,;4.37,-4.77,;5.9,-4.61,;6.53,-3.2,;5.62,-1.95,;4.09,-2.11,;3.47,-3.52,;8.06,-3.04,;9.59,-2.88,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)C2)-n1ncc2cc(cnc12)C#N |r|
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1NC12CC3CC(CC(O)(C3)C1)C2)-n1ncc2cc(cnc12)C#N |r,TLB:27:17:25:22.21.20,THB:16:17:25:22.21.20,27:21:25:17.18.26,18:17:22:25.19.20,18:19:22:17.27.26|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)C2)-n1ncc2cc(C#N)c(N)nc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(N)C1)-n1ncc2cc(cnc12)C#N |r|
CC(C)NC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r,wU:23.25,6.5,wD:9.12,(8.87,3.32,;7.54,4.09,;7.54,5.63,;6.21,3.32,;4.87,4.09,;4.87,5.63,;3.54,3.32,;3.54,1.78,;2.21,1.01,;.87,1.78,;.87,3.32,;2.21,4.09,;-.46,1.01,;-.46,-.53,;.87,-1.3,;.87,-2.84,;-.46,-3.61,;-1.79,-2.84,;-1.79,-1.3,;-3.13,-.53,;-3.13,1.01,;-4.46,-1.3,;-5.8,-.53,;-7.13,-1.3,;-7.13,-2.84,;-8.46,-.53,;-9.23,.8,;-7.69,.8,;-9.8,-1.3,;2.21,-3.61,;2.21,-5.15,;3.67,-5.63,;4.58,-4.38,;6.11,-4.22,;6.73,-2.81,;5.83,-1.57,;4.3,-1.73,;3.67,-3.14,;8.27,-2.65,;9.8,-2.49,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@H]1CO)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(F)(F)C1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@H]1CO)-n1ncc2cc(Cl)cnc12 |r|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(=O)CC1
[#6]-c1ccc(cc1)-n1nc(cc1-[#7]-[#6](=O)-c1cnn2cccnc12)-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]
[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1cc(-[#7]-[#6](=O)-c2cnn3cccnc23)n(n1)-c1ccc(-[#6])cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNC(=O)CC1
CN(C)C1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1 |w:3.2,(-2.18,-7.14,;-.69,-6.74,;.4,-7.83,;-.29,-5.25,;-1.38,-4.16,;-.98,-2.68,;.51,-2.28,;1.6,-3.37,;1.2,-4.85,;.91,-.79,;0,.46,;.91,1.7,;.14,3.04,;-1.4,3.04,;-2.17,1.7,;-2.17,4.37,;-1.7,5.83,;-2.94,6.74,;-4.19,5.83,;-5.7,6.15,;-6.73,5.01,;-6.25,3.55,;-4.74,3.23,;-3.71,4.37,;2.37,1.23,;2.37,-.31,;3.46,2.32,;4.95,1.92,;6.04,3.01,;5.64,4.49,;6.73,5.58,;4.15,4.89,;3.06,3.8,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(O)CC1 |(6.33,5.23,;5.24,4.14,;5.64,2.65,;4.55,1.56,;3.06,1.96,;2.66,3.45,;3.75,4.54,;1.97,.87,;1.97,-.67,;.51,-1.14,;-.4,.1,;.51,1.35,;.11,2.84,;-1.38,3.24,;-2.47,2.15,;-1.78,4.72,;-1.3,6.19,;-2.55,7.09,;-3.79,6.19,;-5.3,6.51,;-6.33,5.36,;-5.85,3.9,;-4.35,3.58,;-3.32,4.72,;.11,-2.63,;-1.38,-3.03,;-1.78,-4.52,;-.69,-5.61,;-1.09,-7.09,;.8,-5.21,;1.2,-3.72,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Clc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Fc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
FC(F)(F)c1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
O=C(Nc1cc(nn1-c1ccc(cc1)C#N)C1CCNCC1)c1cnn2cccnc12
FC(F)(F)Oc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Cc1ccccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Cc1cccc(c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
Cc1cccc(c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
FC(F)(F)Oc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccc1
Cc1cccc(c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
Fc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C(C)C
COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CCCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(F)cc1F
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(Cl)cc1F
COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C(F)(F)F
CC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
COC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(OC)cc1
COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C(=O)C1CC1
Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(F)cc1F
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C(N)=O
CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC(F)(F)F)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCNC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(C1)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(C1)S(=O)(=O)C1CC1
Cc1ccc(cc1)-n1nc(CC2CCOCC2)cc1NC(=O)c1cnn2cccnc12
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCOCC1
COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C(C)C
CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(F)cc1F
Fc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(Cl)cc1F
Fc1cc(Cl)ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
O=C(Nc1cc(nn1-c1ccc(cc1)C1CC1)C1CCNCC1)c1cnn2cccnc12
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1)C1CC1
O=C(Nc1cc(nn1-c1ccc(cc1)C1CC1)C1CCN(CC1)S(=O)(=O)C1CC1)c1cnn2cccnc12
CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1)C1CC1
Cc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Cc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1F
Cc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1F
COc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
COc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C(C)C
COc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
COc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
Cc1ccc(c(Cl)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1Cl
Fc1cc(F)cc(c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Cc1cc(F)ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(F)cc1C
Fc1cc(Br)ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(Br)cc1F
Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1)C1CC1
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1)C1CC1
Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC(F)(F)F)CC1)C1CC1
Fc1cc(cc(F)c1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1)C1CC1 |(.43,3.1,;1.92,2.71,;3.01,3.79,;4.5,3.4,;4.89,1.91,;3.81,.82,;4.2,-.67,;2.32,1.22,;1.23,.13,;1.23,-1.41,;-.24,-1.89,;-1.14,-.64,;-.24,.61,;-.63,2.09,;-2.12,2.49,;-3.21,1.4,;-2.52,3.98,;-2.04,5.44,;-3.29,6.35,;-4.54,5.44,;-6.04,5.76,;-7.07,4.62,;-6.6,3.15,;-5.09,2.83,;-4.06,3.98,;-.63,-3.37,;-2.12,-3.77,;-2.52,-5.26,;-1.43,-6.35,;.06,-5.95,;.46,-4.46,;5.59,4.49,;7.07,4.88,;5.98,5.97,)|
O=C(Nc1cc(nn1C1CCOCC1)C1CCNCC1)c1cnn2cccnc12
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1COCCN1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(C1)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CNC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(C1)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(C1)S(=O)(=O)C1CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(C1)S(=O)(=O)C1CCCC1
COCCS(=O)(=O)N1CC(C1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CNC1)C1CC1
CC(C)N1CC(C1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(C1)C1CCC1)C1CC1
CC(=O)c1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1(C)CCNCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1(C)CCN(CC1)S(C)(=O)=O
CC1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1 |(-1.1,-6.57,;-.7,-5.09,;-1.78,-3.95,;-1.38,-2.46,;.11,-2.06,;1.2,-3.15,;.8,-4.64,;.51,-.57,;-.4,.67,;.51,1.92,;.11,3.41,;-1.38,3.81,;-2.47,2.72,;-1.78,5.29,;-1.3,6.76,;-2.55,7.66,;-3.79,6.76,;-5.3,7.08,;-6.33,5.93,;-5.85,4.47,;-4.35,4.15,;-3.32,5.29,;1.97,1.44,;1.97,-.1,;3.06,2.53,;4.55,2.13,;5.64,3.22,;5.24,4.71,;6.33,5.8,;3.75,5.11,;2.66,4.02,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(CC1)NC=O |(6.33,6.52,;5.24,5.43,;5.64,3.94,;4.55,2.85,;3.06,3.25,;2.66,4.74,;3.75,5.83,;1.97,2.16,;1.97,.62,;.51,.15,;-.4,1.39,;.51,2.64,;.11,4.12,;-1.38,4.52,;-2.47,3.43,;-1.78,6.01,;-1.3,7.48,;-2.55,8.38,;-3.79,7.48,;-5.3,7.8,;-6.33,6.65,;-5.85,5.19,;-4.35,4.87,;-3.32,6.01,;.11,-1.34,;-1.38,-1.74,;-1.78,-3.23,;-.7,-4.37,;.8,-3.92,;1.2,-2.43,;-1.1,-5.86,;-2.59,-6.26,;-2.99,-7.74,)|
CN(C)C(=O)C1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1 |(-.4,-9.67,;0,-8.18,;1.54,-8.18,;-1.09,-7.09,;-2.57,-7.49,;-.69,-5.61,;-1.78,-4.52,;-1.38,-3.03,;.11,-2.63,;1.2,-3.72,;.8,-5.21,;.51,-1.14,;-.4,.1,;.51,1.35,;.11,2.84,;-1.38,3.24,;-2.47,2.15,;-1.78,4.72,;-1.3,6.19,;-2.55,7.09,;-3.79,6.19,;-5.3,6.51,;-6.33,5.36,;-5.85,3.9,;-4.35,3.58,;-3.32,4.72,;1.97,.87,;1.97,-.67,;3.06,1.96,;4.55,1.56,;5.64,2.65,;5.24,4.14,;6.33,5.23,;3.75,4.54,;2.66,3.45,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(CC1)C(F)(F)F |(6.33,5.23,;5.24,4.14,;5.64,2.65,;4.55,1.56,;3.06,1.96,;2.66,3.45,;3.75,4.54,;1.97,.87,;1.97,-.67,;.51,-1.14,;-.4,.1,;.51,1.35,;.11,2.84,;-1.38,3.24,;-2.47,2.15,;-1.78,4.72,;-1.3,6.19,;-2.55,7.09,;-3.79,6.19,;-5.3,6.51,;-6.33,5.36,;-5.85,3.9,;-4.35,3.58,;-3.32,4.72,;.11,-2.63,;-1.38,-3.03,;-1.78,-4.52,;-.69,-5.61,;.8,-5.21,;1.2,-3.72,;-1.09,-7.09,;-1.48,-8.58,;-2.57,-6.69,;.4,-7.49,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCS(=O)(=O)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(NS(=O)=O)cc1
Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1F
Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(N)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(NS(C)(=O)=O)cc1
COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCNCC1
COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(NC=O)cnc12)C1CCNCC1
COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(cnc12)C1CC1)C1CCNCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCNCC1
CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)C1CCCOC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)C1CCOCC1
CN1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)C(=O)CO
CN(C)CCC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
CCN(CC)CCC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC(N)=O)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)C(=O)C1(O)CCC1
CN1CCOC(C1)C(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
COC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(NC=O)cnc12)C1CCN(CC1)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(cnc12)[N+]#[C-])C1CCN(CC1)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(C)cnc12)C1CCN(CC1)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cccnc1
COc1ccc(cn1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccncc1
Fc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccncc1
COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccncc1
Cc1ccc(cc1F)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccncc1
COc1cc(ccn1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CC1
COc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
COc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cccc(F)c1
COc1ccc(cc1OC)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(F)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cncc(F)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cncnc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1=CCNCC1 |t:28|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1=CCN(CC1)S(C)(=O)=O |t:28|
CN1CCC(=CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1 |c:4|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
Cc1ccc(cc1)-n1nc(CN2CCCC2)cc1NC(=O)c1cnn2cccnc12
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(CN2CCCC2)cc1
CN1CCN(Cc2ccc(cc2)-c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(CN2CCOCC2)cc1
O=C(Nc1cc(nn1-c1ccc(cn1)C1CC1)C1CCNCC1)c1cnn2cccnc12
CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cn1)C1CC1
O=C(Nc1cc(nn1-c1ccc(cn1)C1CC1)C1CCN(CC1)C1CCC1)c1cnn2cccnc12
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cn1)C1CC1
O=C(Nc1cc(nn1-c1ccc(cn1)C1CC1)C1CCN(CC1)S(=O)(=O)C1CC1)c1cnn2cccnc12
Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cn1)C1CC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
COc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(CN)cn1
CC(C)(CN)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
CC(C)(N)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
NC(=O)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
CNC(C)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(CO)cn1
C[C@@H](N)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O |r|
C[C@H](N)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O |r|
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C=O)cn1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1COCCN1
Cc1ccc(cn1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Cc1cnc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Cc1cnc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
Cc1cnc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
Cc1cnc(cn1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccn1
Cc1ccc(nc1C)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
Cc1nn(C)c2nc(ccc12)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
CC1(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(CN)cn1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1ncn2cccnc12)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1(C)CC1
COc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
COC(=O)NCC1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1 |(-4.86,-9.98,;-4.46,-8.49,;-2.97,-8.09,;-1.88,-9.18,;-2.57,-6.6,;-1.09,-6.2,;-.69,-4.72,;-1.78,-3.63,;-1.38,-2.14,;.11,-1.74,;1.2,-2.83,;.8,-4.32,;.51,-.25,;-.4,.99,;.51,2.24,;.11,3.73,;-1.38,4.12,;-2.47,3.04,;-1.78,5.61,;-1.3,7.08,;-2.55,7.98,;-3.79,7.08,;-5.3,7.4,;-6.33,6.25,;-5.85,4.79,;-4.35,4.47,;-3.32,5.61,;1.97,1.76,;1.97,.22,;3.06,2.85,;2.66,4.34,;3.75,5.43,;5.24,5.03,;6.33,6.12,;5.64,3.54,;4.55,2.45,)|
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(CN)CC1 |(6.33,5.77,;5.24,4.68,;3.75,5.08,;2.66,3.99,;3.06,2.51,;4.55,2.11,;5.64,3.2,;1.97,1.42,;1.97,-.12,;.51,-.6,;-.4,.65,;.51,1.89,;.11,3.38,;-1.38,3.78,;-2.47,2.69,;-1.78,5.27,;-1.3,6.73,;-2.55,7.64,;-3.79,6.73,;-5.3,7.05,;-6.33,5.91,;-5.85,4.44,;-4.35,4.12,;-3.32,5.27,;.11,-2.09,;-1.38,-2.48,;-1.78,-3.97,;-.69,-5.06,;-1.09,-6.55,;0,-7.64,;.8,-4.66,;1.2,-3.17,)|
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(N)CC1 |(6.33,5.23,;5.24,4.14,;3.75,4.54,;2.66,3.45,;3.06,1.96,;4.55,1.56,;5.64,2.65,;1.97,.87,;1.97,-.67,;.51,-1.14,;-.4,.1,;.51,1.35,;.11,2.84,;-1.38,3.24,;-2.47,2.15,;-1.78,4.72,;-1.3,6.19,;-2.55,7.09,;-3.79,6.19,;-5.3,6.51,;-6.33,5.36,;-5.85,3.9,;-4.35,3.58,;-3.32,4.72,;.11,-2.63,;-1.38,-3.03,;-1.78,-4.52,;-.69,-5.61,;-1.09,-7.09,;.8,-5.21,;1.2,-3.72,)|
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(CCN)n1
CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ncc[nH]1
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1nccn1S(C)(=O)=O
O=C(Nc1cc(nn1-c1nccs1)C1CCNCC1)c1cnn2cccnc12
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)S(C)(=O)=O
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cc(cnc12)[N+]#[C-])C1CCN(CC1)S(C)(=O)=O
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cc(NC=O)cnc12)C1CCN(CC1)S(C)(=O)=O
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cc(cnc12)C#C)C1CCN(CC1)S(C)(=O)=O
Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cn1
Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cc(cnc23)C2CC2)n(n1)-c1ccc(C)cn1
Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cc(Cl)cnc23)n(n1)-c1ccc(C)cn1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCNCC1
CN1CCN(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)S(C)(=O)=O
CN1CCN(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cn1)C1CC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
CC(=O)N1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCCCC1
CN1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCOCC1
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CC(C)C(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CCC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CCCC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
COCC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CC(N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)c1ncccc1F
CC(N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)C(=O)N1CCCCC1
CC(N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)C(=O)N1CCCC1
CC(N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)c1cccc(F)n1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCN(CC1)C1CC1
CC(N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)c1nccs1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ccccc2)CC1
CC(C)CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CCCN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC2CC2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2nccs2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ccsc2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ccncc2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2cccnc2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ccccn2)CC1
COc1ccc(CN2CCC(CC2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)cn1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC2CCOC2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2cncs2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ccn[nH]2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2cscn2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ncco2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2cn[nH]c2)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CNC1
CC(C)NC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)C(=O)NC(C)(C)C
CCNC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
COC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CCOC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CC(C)OC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)C(=O)OCCF
COCCOC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CCS(=O)(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)S(=O)(=O)C1CC1
CC(C)S(=O)(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)S(=O)(=O)CF
CC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CCC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)C(F)(F)F |(8.34,2.55,;6.85,2.15,;6.45,.66,;4.97,.26,;3.88,1.35,;4.27,2.84,;5.76,3.24,;2.39,.95,;1.91,-.51,;.37,-.51,;-.1,.95,;1.14,1.86,;1.14,3.4,;-.19,4.17,;-1.52,3.4,;-.19,5.71,;1.06,6.61,;.58,8.08,;-.96,8.08,;-1.99,9.22,;-3.5,8.9,;-3.97,7.44,;-2.94,6.29,;-1.44,6.61,;-.72,-1.6,;-2.2,-1.2,;-3.29,-2.29,;-2.89,-3.78,;-1.41,-4.18,;-.32,-3.09,;-3.98,-4.87,;-5.47,-4.47,;-6.56,-5.56,;-6.16,-7.04,;-4.67,-7.44,;-3.58,-6.35,;-7.25,-8.13,;-8.34,-9.22,;-8.34,-7.04,;-6.16,-9.22,)|
CN(C1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)S(C)(=O)=O |(-5.91,-9.42,;-6.31,-7.93,;-5.22,-6.85,;-5.62,-5.36,;-4.53,-4.27,;-3.04,-4.67,;-2.64,-6.16,;-3.73,-7.24,;-1.95,-3.58,;-2.35,-2.09,;-1.26,-1,;.23,-1.4,;.63,-2.89,;-.46,-3.98,;1.32,-.31,;.84,1.15,;2.09,2.06,;2.09,3.6,;.75,4.37,;-.58,3.6,;.75,5.91,;2,6.81,;1.52,8.28,;-.02,8.28,;-1.05,9.42,;-2.55,9.1,;-3.03,7.64,;-2,6.49,;-.49,6.81,;3.33,1.15,;2.86,-.31,;4.82,1.55,;5.91,.46,;7.4,.86,;7.79,2.35,;9.28,2.75,;6.71,3.44,;5.22,3.04,;-7.79,-7.54,;-8.19,-9.02,;-9.28,-7.14,;-7.4,-6.05,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)NS(C)(=O)=O |(9.28,2.55,;7.79,2.15,;7.4,.66,;5.91,.26,;4.82,1.35,;5.22,2.84,;6.71,3.24,;3.33,.95,;2.86,-.51,;1.32,-.51,;.84,.95,;2.09,1.86,;2.09,3.4,;.75,4.17,;-.58,3.4,;.75,5.71,;2,6.61,;1.52,8.08,;-.02,8.08,;-1.05,9.22,;-2.55,8.9,;-3.03,7.44,;-2,6.29,;-.49,6.61,;.23,-1.6,;-1.26,-1.2,;-2.35,-2.29,;-1.95,-3.78,;-.46,-4.18,;.63,-3.09,;-3.04,-4.87,;-4.53,-4.47,;-5.62,-5.56,;-5.22,-7.04,;-3.73,-7.44,;-2.64,-6.35,;-6.31,-8.13,;-7.79,-7.74,;-8.19,-9.22,;-9.28,-7.34,;-7.4,-6.25,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)C#N |(8.54,2,;7.05,1.6,;6.65,.12,;5.16,-.28,;4.08,.81,;4.47,2.3,;5.96,2.69,;2.59,.41,;2.11,-1.06,;.57,-1.06,;.1,.41,;1.34,1.31,;1.34,2.85,;.01,3.62,;-1.33,2.85,;.01,5.16,;1.25,6.07,;.78,7.53,;-.76,7.53,;-1.79,8.68,;-3.3,8.36,;-3.77,6.89,;-2.74,5.75,;-1.24,6.07,;-.52,-2.14,;-2,-1.75,;-3.09,-2.84,;-2.69,-4.32,;-1.21,-4.72,;-.12,-3.63,;-3.78,-5.41,;-5.27,-5.01,;-6.36,-6.1,;-5.96,-7.59,;-4.47,-7.99,;-3.39,-6.9,;-7.05,-8.68,;-8.54,-8.28,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC2CC12
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC2(CCC(=O)N2)CC1 |(9.2,2.47,;7.72,2.07,;7.32,.58,;5.83,.18,;4.74,1.27,;5.14,2.76,;6.63,3.16,;3.25,.87,;2.78,-.59,;1.24,-.59,;.76,.87,;2.01,1.78,;2.01,3.32,;.67,4.09,;-.66,3.32,;.67,5.63,;1.92,6.53,;1.44,8,;-.1,8,;-1.13,9.14,;-2.63,8.82,;-3.11,7.36,;-2.08,6.21,;-.57,6.53,;.15,-1.68,;-1.34,-1.28,;-2.43,-2.37,;-2.03,-3.86,;-.54,-4.26,;.55,-3.17,;-3.12,-4.95,;-4.6,-4.55,;-5.69,-5.64,;-5.29,-7.13,;-5.29,-8.67,;-6.76,-9.14,;-7.66,-7.9,;-9.2,-7.9,;-6.76,-6.65,;-3.81,-7.52,;-2.72,-6.44,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CC(C1)C(C)(C)C |(8.02,2.23,;6.53,1.83,;6.13,.34,;4.65,-.06,;3.56,1.03,;3.96,2.52,;5.44,2.92,;2.07,.63,;1.59,-.83,;.05,-.83,;-.42,.63,;.82,1.54,;.82,3.08,;-.51,3.85,;-1.84,3.08,;-.51,5.39,;.74,6.29,;.26,7.76,;-1.28,7.76,;-2.31,8.9,;-3.82,8.58,;-4.29,7.12,;-3.26,5.97,;-1.76,6.29,;-1.04,-1.92,;-2.52,-1.52,;-3.61,-2.61,;-3.21,-4.1,;-1.73,-4.5,;-.64,-3.41,;-4.3,-5.19,;-5.84,-5.19,;-5.84,-6.73,;-4.3,-6.73,;-6.93,-7.81,;-8.02,-8.9,;-8.02,-6.73,;-5.84,-8.9,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CC2(C1)CCCC2
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CC(C1)C#N |(8.22,1.68,;6.73,1.29,;6.33,-.2,;4.85,-.6,;3.76,.49,;4.16,1.98,;5.64,2.37,;2.27,.09,;1.79,-1.37,;.25,-1.37,;-.22,.09,;1.02,1,;1.02,2.54,;-.31,3.31,;-1.64,2.54,;-.31,4.85,;.94,5.75,;.46,7.22,;-1.08,7.22,;-2.11,8.36,;-3.62,8.04,;-4.09,6.57,;-3.06,5.43,;-1.56,5.75,;-.84,-2.46,;-2.32,-2.07,;-3.41,-3.15,;-3.01,-4.64,;-1.53,-5.04,;-.44,-3.95,;-4.1,-5.73,;-5.64,-5.73,;-5.64,-7.27,;-4.1,-7.27,;-6.73,-8.36,;-8.22,-7.96,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(F)(F)CC1
CC(CC(F)(F)F)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)C(=O)OC(C)(C)C
CN(C1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1)S(C)(=O)=O |(-8.54,-6.79,;-7.05,-7.19,;-5.96,-6.1,;-6.36,-4.61,;-5.27,-3.53,;-3.78,-3.92,;-3.39,-5.41,;-4.47,-6.5,;-2.69,-2.84,;-3.09,-1.35,;-2,-.26,;-.52,-.66,;-.12,-2.14,;-1.21,-3.23,;.57,.43,;.1,1.9,;1.34,2.8,;1.34,4.34,;.01,5.11,;-1.33,4.34,;.01,6.65,;1.25,7.56,;.78,9.02,;-.76,9.02,;-1.79,10.17,;-3.3,9.85,;-3.77,8.38,;-2.74,7.24,;-1.24,7.56,;2.59,1.9,;2.11,.43,;4.08,2.3,;5.16,1.21,;6.65,1.6,;7.05,3.09,;8.54,3.49,;5.96,4.18,;4.47,3.78,;-6.65,-8.68,;-5.16,-8.28,;-6.25,-10.17,;-8.14,-9.08,)|
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)NS(C)(=O)=O |(8.34,3.49,;6.85,3.09,;6.45,1.6,;4.97,1.21,;3.88,2.3,;4.27,3.78,;5.76,4.18,;2.39,1.9,;1.91,.43,;.37,.43,;-.1,1.9,;1.14,2.8,;1.14,4.34,;-.19,5.11,;-1.52,4.34,;-.19,6.65,;1.06,7.56,;.58,9.02,;-.96,9.02,;-1.99,10.17,;-3.5,9.85,;-3.97,8.38,;-2.94,7.24,;-1.44,7.56,;-.72,-.66,;-2.2,-.26,;-3.29,-1.35,;-2.89,-2.84,;-1.41,-3.23,;-.32,-2.14,;-3.98,-3.92,;-5.47,-3.53,;-6.56,-4.61,;-6.16,-6.1,;-4.67,-6.5,;-3.58,-5.41,;-7.25,-7.19,;-6.85,-8.68,;-5.36,-8.28,;-6.45,-10.17,;-8.34,-9.08,)|
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCCOC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)C#N |(7.79,2.75,;6.31,2.35,;5.91,.86,;4.42,.46,;3.33,1.55,;3.73,3.04,;5.22,3.44,;1.84,1.15,;1.37,-.31,;-.17,-.31,;-.65,1.15,;.6,2.06,;.6,3.6,;-.74,4.37,;-2.07,3.6,;-.74,5.91,;.51,6.81,;.03,8.28,;-1.51,8.28,;-2.54,9.42,;-4.04,9.1,;-4.52,7.64,;-3.49,6.49,;-1.98,6.81,;-1.26,-1.4,;-2.75,-1,;-3.84,-2.09,;-3.44,-3.58,;-1.95,-3.98,;-.86,-2.89,;-4.53,-4.67,;-6.01,-4.27,;-7.1,-5.36,;-6.71,-6.85,;-5.22,-7.24,;-4.13,-6.16,;-7.79,-7.93,;-7.4,-9.42,)|
Fc1ccc(cc1)N1CCC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccn1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCN(CC1)C1CC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCc2ccncc2C1
CN(C)C1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1 |(-5.39,-9.44,;-6.16,-8.11,;-7.7,-8.11,;-5.39,-6.78,;-5.79,-5.29,;-4.3,-4.89,;-3.9,-6.38,;-3.53,-3.56,;-3.93,-2.07,;-2.84,-.98,;-1.35,-1.38,;-.96,-2.87,;-2.04,-3.96,;-.27,-.29,;-.74,1.17,;.5,2.08,;.5,3.62,;-.83,4.39,;-2.16,3.62,;-.83,5.93,;.42,6.83,;-.06,8.3,;-1.6,8.3,;-2.63,9.44,;-4.14,9.12,;-4.61,7.66,;-3.58,6.51,;-2.07,6.83,;1.75,1.17,;1.27,-.29,;3.24,1.57,;4.33,.48,;5.81,.88,;6.21,2.37,;7.7,2.77,;5.12,3.46,;3.64,3.06,)|
CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)C(F)(F)F |(8.34,2.55,;6.85,2.15,;6.45,.66,;4.97,.26,;3.88,1.35,;4.27,2.84,;5.76,3.24,;2.39,.95,;1.91,-.51,;.37,-.51,;-.1,.95,;1.14,1.86,;1.14,3.4,;-.19,4.17,;-1.52,3.4,;-.19,5.71,;1.06,6.61,;.58,8.08,;-.96,8.08,;-1.99,9.22,;-3.5,8.9,;-3.97,7.44,;-2.94,6.29,;-1.44,6.61,;-.72,-1.6,;-2.2,-1.2,;-3.29,-2.29,;-2.89,-3.78,;-1.41,-4.18,;-.32,-3.09,;-3.98,-4.87,;-5.47,-4.47,;-6.56,-5.56,;-6.16,-7.04,;-4.67,-7.44,;-3.58,-6.35,;-7.25,-8.13,;-8.34,-9.22,;-8.34,-7.04,;-6.16,-9.22,)|
CC1CCC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
C[C@@H]1CCC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1 |r|
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
CN1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
CC1CCCC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
CC(C)CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
CCN1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
CCCN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC2CC2)CC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1Cc2ccccc2C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(CC2CCOC2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cncs2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccc3CNC(=O)c3c2)C1
CN(C)c1ncc(CN2CCCC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)s1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccn[nH]2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cscn2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ncco2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cccnc2F)C1
COc1ncc(CN2CCCC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)cn1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccc(F)cn2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccc(cc2)C2(COC2)C#N)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cn[nH]c2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cccc3C(=O)NCc23)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccc(cc2)S(C)(=O)=O)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(CC2CC2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2nccs2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccncc2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cccnc2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccccn2)C1
COc1ccc(CN2CCCC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)cn1
CCn1nccc1CN1CCCC(C1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cnccn2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cn[nH]c2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2ccn[nH]2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2nccs2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2ccccn2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2ccncc2)C1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cncnc2)C1
Cc1cc(CN2CC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)no1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cncs2)C1
COc1ncccc1CN1CC(C1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cccnc2)C1
COc1cccc(CN2CC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)n1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2ncco2)C1
COc1ncc(CN2CC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)cn1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cocn2)C1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCCCC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCOCC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCCCCC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCCC1
CC(C)CN1CCN(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cnn(C)c1
CN1CCN(CC1)c1cncc(c1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccnc(CN2CCCCC2)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccnc(CO)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(CO)nc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccnn1C
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cncc(CO)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cnn(CCS(C)(=O)=O)c1
Cc1nocc1-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1csc(n1)N1CCOCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(cc1)S(=O)(=O)C1CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(=O)n(C)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(cc1C(F)(F)F)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1c(F)cccc1OCc1ccccc1
CCN(CC)S(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)c(C)c1
CC(C)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CCN(CC)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(cc1)S(=O)(=O)N1CCC1
CN(C)S(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)c(C)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cccc(NS(C)(=O)=O)c1
CNS(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CNC(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CN(C)C(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CNC(=O)c1cccc(c1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(nc1)S(C)(=O)=O
CCS(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CN(C)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CN1CCC(=CC1=O)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1 |c:4|
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccnc(N)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)Cc1noc2ccccc12
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc2ccccc12
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)Cc1ccncc1
COc1ccc(cc1OC)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cc(F)cc(F)c1
CCCS(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccccc1C#N
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)CCC(F)(F)F
Cc1nc(C)c(s1)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(F)c(F)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(F)cc1
COc1ccc(cc1)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CC(C)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
CCCCS(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(F)cc1F
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc(c1)C(F)(F)F
COc1ccc(c(OC)c1)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)C1CCCCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc(c1)C#N
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cnn(C)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cn(C)cn1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc2ccccc2c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccccc1F
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc(F)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(cc1)C#N
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(cc1)C(F)(F)F
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(Cl)nc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(nc1)N1CCOCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc2ncsc2c1
COc1cccc(c1)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1nc(cn1C)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)Cc1ccccc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccnc1Cl
COc1ccc(cn1)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1c(Cl)cccc1Cl
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(Cl)cc1Cl
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)Cc1cccnc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(Cl)s1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc(n1)C(F)(F)F
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)CCc1ccccc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc2cccnc12
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)Cc1ccccn1
CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc[nH]1
CC(C)Nc1cc(Nc2ccc3nsnc3c2)ncc1-c1nnc(s1)C(=O)N1CC[C@@H](O)C1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CCC(O)C1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CCC(C1)NC(C)=O
CNC(=O)c1ccc(Nc2cc(Nc3ccc4ncsc4c3)ncc2-c2nnc(s2)C(=O)N2CC[C@@H](O)C2)cc1
CCOC(=O)c1nc(sc1C)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(C(=O)NCCCN2CCCCC2)c(C)s1
CNC(=O)c1nc(sc1C)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)N1CCN(CC1)c1ccc(F)cc1F
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCC1CCCCC1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCC1CCCO1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NC[C@H](O)c1ccccc1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCCCN1CCCC1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(NC(=O)OC(C)(C)C)c(C)o1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(co1)C(N)=O
CC(C)Nc1cc(Nc2ccc(cc2)C#N)ncc1-c1nnc(NC[C@@H](F)CO)o1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(NC2CNC2)o1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)N1CCN(CCO)CC1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)N1CCN(CCN2CCOCC2)CC1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)-c1ccc(F)c(c1)S(=O)(=O)NC(C)(C)C
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)-c1cccc(c1)C(N)=O
NC(=O)c1nnc(o1)-c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)Cc1ccccc1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)C(=O)N1CCC(N)CC1
COc1cccc(n1)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1ccc2cn[nH]c2c1
OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)NC4CC4)N[C@@H]5C[C@@H]([C@H]([C@H]5O)O)CO
OC[C@H]1C[C@@H](Nc2nc(NC3CCCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CC(C)Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCCCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2[nH]c(=O)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCOCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CC(F)(F)C3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CS(=O)(=O)N1CCC(CC1)Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OC[C@H]1C[C@@H](Nc2nc(NC3COC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CS(=O)(=O)N1CCN(CC1)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CC3(COC3)C2)[C@H](O)[C@@H]1O |r|
CS(=O)(=O)N1CC2(CN(C2)c2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1 |r|
OC[C@H]1C[C@@H](Nc2nc(OC3CCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CC3(CNC3)C2)[C@H](O)[C@@H]1O |r|
CC1(CCC1)Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2ccc3ccccc3n2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2ccc3ccccc3n2)N2CCCCC2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2ccccn2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nccs2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2cscn2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCCC2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCCCC2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(F)(F)CC2)[C@H](O)[C@@H]1O |r|
CN1CCN(CC1)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCc3ccccc3C2)[C@H](O)[C@@H]1O |r|
CN(C)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC2)[C@H](O)[C@@H]1O |r|
Cc1csc(n1)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCOCC1 |r|
Cc1csc(n1)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCC(CC1)C(F)(F)F |r|
Cc1cccc(n1)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCOCC1 |r|
Cc1cccc(n1)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCCCC1 |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CNC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCNC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(N[C@@H]3CCCNC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(N[C@H]3CCCNC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
COCCCNc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
C[C@]1(O)[C@@H](C[C@H](CO)[C@H]1O)Nc1nc(NC2CCC2)[nH]c(=O)c1-c1nc2ccccc2s1 |r|
CC(C)[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
CC(C)[C@H]1C[C@@H](Nc2nc[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CC(C)[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2cncnc2)[C@H](O)[C@@H]1O |r|
CC(C)(O)[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
C[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2ccc3ccccc3n2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
C[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
O[C@@H]1CC[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@@H]1O |r|
OC[C@@H](O)CNc1nc(NC2CCC2)[nH]c(=O)c1-c1nc2ccccc2s1 |r|
Cc1cc(Nc2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(-c3nc4ccccc4s3)c(=O)[nH]2)cc(C)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccccc3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccncc3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O |r|
Cc1nccc2sc(nc12)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCOCC1 |r|
Cc1cc2sc(nc2c(C)n1)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCOCC1 |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc(cs2)-c2ccc(F)cc2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc(cs2)-c2ccc(F)cc2)N2CCCCC2)[C@H](O)[C@@H]1O |r|
CSc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CCc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
Cc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCN(CC2)c2cccnc2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2cncnc2)[C@H](O)[C@@H]1O |r|
CN1CCC2(CCN(CC2)c2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1=O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)n2ccnn2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2ccccn2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2cnccn2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2cccnc2)[C@H](O)[C@@H]1O |r|
CS(=O)(=O)C1CN(C1)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2ccncc2)[C@H](O)[C@@H]1O |r|
CN(N)\C=C(/N)C1CCN(CC1)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCc3cnccc3C2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCN(Cc3nccs3)CC2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(C2)c2ccncc2)[C@H](O)[C@@H]1O |r|
NC(=O)CNCC1CCN(CC1)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(Cn3cccn3)CC2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC3(CC2)NCC(=O)O3)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(C2)c2ccccn2)[C@H](O)[C@@H]1O |r|
c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5
O=c1[nH]c(nc(N[C@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
O=c1[nH]c(nc(NC2CCNC2)c1-c1nc2ccccc2s1)N1CCOCC1
O=c1[nH]c(nc(N[C@H]2CCNC2)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCNC2)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
O=c1[nH]c(nc(NC2CCNCC2)c1-c1nc2ccccc2s1)N1CCOCC1
O=C1CC[C@H](CN1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
NC1CCCC(C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
O=C1NCCCC[C@H]1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
O=c1[nH]c(nc(NC2CCCCNC2)c1-c1nc2ccccc2s1)N1CCOCC1
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CCOCC1 |r|
Cc1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
CN1CCC[C@H](C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
OC1CCCC(C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
Fc1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Fc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Cc1nccc2sc(nc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc(cs1)C1CC1)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nccs1)N1CCOCC1 |r|
Cc1cnc(s1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
FC(F)(F)Oc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCCNC2)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
O[C@H]1CNC[C@@H](C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
O=c1[nH]c(nc(NC2CCCNC2)c1-c1nc2ccccc2s1)N1CCOCC1
CC1CCC(CN1)Nc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
O[C@@H]1CCC[C@H](C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
Cc1cccc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Cc1ccc(nc1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2c(nccc2s1)C1CC1)N1CCOCC1 |r|
Fc1ccc2nc(sc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2cnccc2s1)N1CCOCC1 |r|
O=c1[nH]c(nc(NC2CCCNC2)c1-c1ccc2ccccc2n1)N1CCCC1
O=c1[nH]c(nc(NC2CCCNC2)c1-c1ccc2ccccc2n1)N1CCCCC1
CN1CCN(CC1)c1nc(NC2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2c(nccc2s1)C1CC1)N1CCCCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2c(nccc2s1)C1CC1)N1CCCC1 |r|
CS(=O)(=O)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3c(nccc3s2)C2CC2)c(=O)[nH]1 |r|
CN1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3c(nccc3s2)C2CC2)c(=O)[nH]1 |r|
C[C@@H]1CC[C@H](CN1)Nc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1 |r|
C[C@H]1CC[C@H](CN1)Nc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1 |r|
C[C@H]1CC[C@H](CN1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
C[C@@H]1CC[C@H](CN1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
OCC1COCCN1c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CC1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
C[C@@H]1COCCN1c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
C[C@H]1COCCN1c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OCCC1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
FC(F)(F)C1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CC1(C)CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1ccccn1 |r|
FC(F)(F)c1cnc(N2CCN(CC2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)c(Cl)c1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1cnccn1 |r|
FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1ncccn1 |r|
Clc1cccc(n1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1cccnc1 |r|
Cc1nonc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
FC(F)(F)c1cn2CCN(Cc2n1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
COc1ccc(nc1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
COc1ccnc(c1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
COc1cccc(n1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
Clc1ccc(nc1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
Clc1ccnc(c1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
Fc1ccccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CS(=O)(=O)c1ccc(N2CCN(CC2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)c(Cl)c1 |r|
FC(F)(F)c1ccccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1nccs1 |r|
CS(=O)(=O)c1cc(F)ccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
Clc1ccccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
Clc1ccc(cc1Cl)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
COc1ccc(cc1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1ccc2OCOc2c1 |r|
CS(=O)(=O)c1ccccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
Cc1cc(sn1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
Cc1cnccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
Cn1cc(cn1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
Cc1cnc(C)c(n1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
COc1ccc(OC)c(c1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1nnc(o1)C1CC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1nncs1 |r|
CN(C)[C@@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
CC(=O)NC1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
CN(C)[C@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
OC1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CC2CC2C1 |r|
CS(=O)(=O)C1CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
OC1(CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1)C(F)(F)F |r|
CC1(O)CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
CC(C)(O)C1CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
COC1CN(C[C@@H]1O)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CC2CC1CS(=O)(=O)C2 |r|
FC1CN(C[C@@H]1F)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
COC1(C)CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
F[C@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
CO[C@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
OC[C@@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
OC[C@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
CC1(O)CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CCCC1c1ccncc1 |r|
FC[C@@H]1CCCN1c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
CC(C)(O)C1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
CN1CCC2CCN(C2C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
COC1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CCC(CC1)c1ccccc1 |r|
Cc1ccccc1C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
COc1ccccc1C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
FC(F)(F)c1ccccc1C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
Cc1nsc(n1)C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
Cc1cc([nH]n1)C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
Fc1cccc(n1)C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CC2CC1CN2 |r|
COc1ccc(cc1)N1CC2CC1CN2c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2o1)N1CCOCC1 |r|
CC(C)(C)c1cccc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1cncc(n1)-n1cccc1)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccccn1)N1CCOCC1 |r|
FC(F)(F)c1cccc(c1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Fc1ccccc1-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Clc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Fc1cc(F)cc(c1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Fc1cccc(c1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Fc1ccc(F)c(c1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
FC(F)(F)c1ccc(nc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc(cs1)-c1ccccn1)N1CCOCC1 |r|
O=c1[nH]c(nc(NC2CN3CCC2CC3)c1-c1nc2ccccc2s1)N1CCOCC1 |(1.04,3.8,;1.04,2.26,;2.37,1.49,;2.37,-.05,;1.04,-.82,;-.29,-.05,;-1.63,-.82,;-1.63,-2.36,;-.29,-3.13,;-.29,-4.67,;-1.63,-5.44,;-2.96,-4.67,;-2.96,-3.13,;-2.19,-4.47,;-1.06,-3.34,;-.29,1.49,;-1.63,2.26,;-3.03,1.63,;-4.06,2.78,;-5.6,2.78,;-6.37,4.11,;-5.6,5.44,;-4.06,5.44,;-3.29,4.11,;-1.79,3.79,;3.71,-.82,;3.71,-2.36,;5.04,-3.13,;6.37,-2.36,;6.37,-.82,;5.04,-.05,)|
C[C@H]1C[C@H](CN1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
C[C@@H]1C[C@H](CN1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2C[C@@H]3CN[C@H]2C3)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
FC1(F)CNC[C@@H](C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
F[C@H]1CCNC[C@@H]1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1csc(n1)-n1cccc1)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1cccc(n1)-n1cccc1)N1CCOCC1 |r|
O=C1CCCN1c1cccc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1csc(n1)-n1cccn1)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1csc(n1)-c1ccccc1)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1csc(n1)-n1ccnc1)N1CCOCC1 |r|
Fc1cnc(nc1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1cccc(n1)C#N)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1cc(ccn1)C#N)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc(cn1)C#N)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc(cn1)C1CC1)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1cc2ccccc2cn1)N1CCOCC1 |r|
CN1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CCN1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CC(C)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC2CC2)CC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)C1CCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)C1CCCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)C1CCCCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)C1CCOC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)C1CCOCC1 |r|
CS(=O)(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CCS(=O)(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CC(C)S(=O)(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)S(=O)(=O)C1CC1 |r|
COC(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CNC(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CC(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(NC2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)c1ccccn1
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)c1cnccn1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)c1ncccn1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)c1cccnc1 |r|
OCC(O)CNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
N[C@H]1C[C@H]1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
CC1(CCCNC1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
NC(=O)CNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
NC(=N)CNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
OCCNCCNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
CN1CCCC(C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
O=c1[nH]c(nc(NC2CNC2)c1-c1nc2ccccc2s1)N1CCOCC1
O=c1[nH]c(nc(NCC2CCCCN2)c1-c1nc2ccccc2s1)N1CCOCC1
CCN1CCCC1CNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
O=c1[nH]c(nc(NCCN2CCNCC2)c1-c1nc2ccccc2s1)N1CCOCC1
O=c1[nH]c(nc(NCCN2CCCCC2)c1-c1nc2ccccc2s1)N1CCOCC1
OC1CCN(CCNc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCOCC2)CC1
O=c1[nH]c(nc(NCCN2CCCC2)c1-c1nc2ccccc2s1)N1CCOCC1
CN(C)CCNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
CC(=O)NCCNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
CCC(CO)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
NC1CCCCC1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
O=c1[nH]c(nc(NCCc2ncc[nH]2)c1-c1nc2ccccc2s1)N1CCOCC1
CC(O)CNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
CC(C)C[C@H](CO)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
O[C@@H]1Cc2ccccc2[C@@H]1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
OC1CCC(CC1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |(-1.63,-6.21,;-1.63,-4.67,;-2.96,-3.9,;-2.96,-2.36,;-1.63,-1.59,;-.29,-2.36,;-.29,-3.9,;-1.63,-.05,;-.29,.72,;1.04,-.05,;2.37,.72,;2.37,2.26,;1.04,3.03,;1.04,4.57,;-.29,2.26,;-1.63,3.03,;-3.03,2.4,;-4.06,3.55,;-5.6,3.55,;-6.37,4.88,;-5.6,6.21,;-4.06,6.21,;-3.29,4.88,;-1.79,4.56,;3.71,-.05,;3.71,-1.59,;5.04,-2.36,;6.37,-1.59,;6.37,-.05,;5.04,.72,)|
OC1CCCCC1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
OCC(CO)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
O=c1[nH]c(nc(NCC2CCNCC2)c1-c1nc2ccccc2s1)N1CCOCC1
CN(C)CCNc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
OCCNCCNc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
CN1CCCC(C1)Nc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
O=c1[nH]c(nc(NC2CNC2)c1-c1ccc2ccccc2n1)N1CCOCC1
O=c1[nH]c(nc(NCC2CCCCN2)c1-c1ccc2ccccc2n1)N1CCOCC1
CCN1CCCC1CNc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
O=c1[nH]c(nc(NCCN2CCCCC2)c1-c1ccc2ccccc2n1)N1CCOCC1
O=c1[nH]c(nc(NCCN2CCCC2)c1-c1ccc2ccccc2n1)N1CCOCC1
CC1(CCCNC1)Nc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
OCC(O)CNc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
OC1CCN(CCNc2nc([nH]c(=O)c2-c2ccc3ccccc3n2)N2CCOCC2)CC1
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCOCC1 |r|
OCC1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
COCC1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CNC(=O)C1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC1 |r|
CN(C)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CC1CCCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O[C@H]1Cc2ccccc2[C@@H]1Nc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CN(CCO)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
COC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CC1CN(CC(C)O1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCCC1 |r|
CC1CC(C)CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O[C@@H]1Cc2ccccc2[C@@H]1Nc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O[C@H]1Cc2ccccc2[C@H]1Nc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(NC2CCCNC2)c1-c1nc2ccccc2s1)N1CC2CCC(C1)O2
CN([C@H]1CC[C@H](O)CC1)c1nc(NC2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r,wU:2.1,wD:5.5,(5.23,1.8,;3.9,1.03,;4.3,-.46,;5.78,-.86,;6.18,-2.34,;5.09,-3.43,;4.7,-4.92,;3.61,-3.03,;3.21,-1.55,;2.56,1.8,;1.23,1.03,;-.1,1.8,;-1.44,1.03,;-1.44,-.51,;-2.77,-1.28,;-2.77,-2.82,;-1.44,-3.59,;-.1,-2.82,;-.1,-1.28,;-.1,3.34,;-1.44,4.11,;-1.6,5.64,;-3.1,5.96,;-3.87,7.3,;-5.41,7.3,;-6.18,5.96,;-5.41,4.63,;-3.87,4.63,;-2.84,3.48,;1.23,4.11,;1.23,5.65,;2.56,3.34,)|
NC(=O)CNc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=C1C[C@H](Cc2ccccc2N1)Nc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=C1C[C@@H](Cc2ccccc2N1)Nc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OCC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O[C@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CN(Cc1ccccc1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
Cc1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCCCC1 |r|
CN([C@H](CO)c1ccccc1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
OCCNc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
FC1(F)CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2CCCCC2C1 |r|
CC1CCCCN1c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O[C@@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CC(=O)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(NC2CCCNC2)c1-c1nc2ccccc2s1)N1CC2(COC2)C1
NC(=O)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CC1(CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1)c1ccc(Cl)cc1 |r|
OC(=O)C1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
CCOC(=O)C1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
NC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=C(NC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1)OCc1ccccc1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2(CCN(C2)c2ncccn2)C1 |r|
CN1CCC2(CCN(C2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1 |r|
CC(=O)N1CCC2(CCN(C2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2(CCN(Cc3ccccc3)C2)C1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2(CCN(C2)S(=O)(=O)c2ccccc2)C1 |r|
Nc1ccc2CCN(Cc2c1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
COc1ccc(cc1)N1CCC2(CCN(C2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1 |r|
Clc1ccc(cc1)N1CCC2(CCN(C2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC(CC1)NCc1ccccc1 |r|
CC(=O)NC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2(CCN(C2)c2ccccc2)C1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2(CNC2)CC1 |r|
CC(C)(C)OC(=O)N1CC2(C1)CCN(CC2)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
FC(F)(F)c1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
FC(F)(F)c1cccc2nc(sc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Clc1cccc2nc(sc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Cc1cccc2nc(sc12)-c1c(NC2CCCNC2)nc([nH]c1=O)N1CCOCC1
CC(C)(C)c1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Clc1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2cccc(C3CC3)c2s1)N1CCOCC1 |r|
Brc1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2cc(ccc2s1)C1CC1)N1CCOCC1 |r|
NC(=O)c1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2cc(ccc2s1)C#N)N1CCOCC1 |r|
Fc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCN(CC1)c1cccnc1 |r|
Fc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCN(CC1)c1ncccn1 |r|
Fc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCc2ccccc2C1 |r|
N[C@@H]1CCCC[C@@H]1Nc1cccc2sc(nc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
N[C@H]1CCCC[C@H]1Nc1cccc2sc(nc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
NCCNc1cccc2sc(nc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
c1cc2cc(c(cc2nc1)N3CCC(CC3)CN)NC(=O)c4cnn5c4nccc5
COc1cc2nc(NCCO)ccc2cc1NC(=O)c1cnn2cccnc12
NCC1CCN(CC1)c1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)Nc1ccccc1
CC(O)C1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
O[C@H]1CC[C@H](CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |r,wD:4.7,1.0,(5.33,-3.84,;4,-3.07,;4,-1.53,;2.67,-.76,;1.33,-1.53,;1.33,-3.07,;2.67,-3.84,;,-.76,;-1.33,-1.53,;-1.33,-3.07,;-2.67,-3.84,;-2.67,-5.38,;-4,-6.15,;-5.33,-5.38,;-5.33,-3.84,;-4,-3.07,;-4,-1.53,;-2.67,-.76,;-2.67,.78,;-3.76,1.87,;-5.24,1.47,;-3.36,3.36,;-4.26,4.61,;-3.36,5.85,;-1.89,5.38,;-.56,6.15,;.77,5.38,;.77,3.84,;-.56,3.07,;-1.89,3.84,)|
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(C)CCN
O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1cnn2ccccc12
COc1cc2ncccc2cc1NC(=O)c1cnn2cc(O)cnc12
COc1cc2nc(NCCO)ccc2cc1NC(=O)c1csc2cncnc12
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCN)nc12
O[C@H]1CC[C@@H](CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |r,wU:4.7,wD:1.0,(5.35,-5.95,;4.26,-4.86,;4.66,-3.37,;3.57,-2.28,;2.09,-2.68,;1.69,-4.17,;2.78,-5.26,;1,-1.59,;-.49,-1.99,;-.89,-3.48,;-2.38,-3.88,;-2.78,-5.36,;-4.26,-5.76,;-5.35,-4.67,;-4.95,-3.19,;-3.47,-2.79,;-3.07,-1.3,;-1.58,-.9,;-1.18,.59,;-2.27,1.67,;-3.76,1.28,;-1.87,3.16,;-2.78,4.41,;-1.87,5.65,;-.41,5.18,;.93,5.95,;2.26,5.18,;2.26,3.64,;.93,2.87,;-.41,3.64,)|
O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1csc2cncnc12
NCC1CCN(CC1)c1cc2ncccc2cc1NC(=O)c1csc2cncnc12
O[C@@H]1CC[C@H](C1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |r|
OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
OC1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12 |(5.15,-5.95,;4.06,-4.86,;2.58,-5.26,;1.49,-4.17,;1.89,-2.68,;3.37,-2.28,;4.46,-3.37,;.8,-1.59,;-.69,-1.99,;-1.09,-3.48,;-2.58,-3.88,;-3.67,-2.79,;-5.15,-3.19,;-3.27,-1.3,;-1.78,-.9,;-1.38,.59,;-2.47,1.67,;-3.96,1.28,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;2.06,5.18,;3.39,5.95,;2.06,3.64,;.73,2.87,;-.61,3.64,)|
OC1CCC(CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |(5.35,-5.99,;4.26,-4.9,;2.78,-5.3,;1.69,-4.21,;2.09,-2.73,;3.57,-2.33,;4.66,-3.42,;1,-1.64,;-.49,-2.04,;-.89,-3.52,;-2.38,-3.92,;-2.78,-5.41,;-4.26,-5.81,;-5.35,-4.72,;-4.95,-3.23,;-3.47,-2.83,;-3.07,-1.35,;-1.58,-.95,;-1.18,.54,;-1.95,1.87,;-3.49,1.87,;-1.18,3.21,;-2.09,4.45,;-1.18,5.7,;.28,5.22,;1.62,5.99,;2.95,5.22,;2.95,3.68,;1.62,2.91,;.28,3.68,)|
Oc1cnc2c(cnn2n1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1
CC(O)CC(C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2nc(O)cnc12
OC1CCC(CC1)Oc1cc2ncccc2cc1NC(=O)c1cnn2cccnc12 |(5.35,-5.95,;4.26,-4.86,;2.78,-5.26,;1.69,-4.17,;2.09,-2.68,;3.57,-2.28,;4.66,-3.37,;1,-1.59,;-.49,-1.99,;-.89,-3.48,;-2.38,-3.88,;-2.78,-5.36,;-4.26,-5.76,;-5.35,-4.67,;-4.95,-3.19,;-3.47,-2.79,;-3.07,-1.3,;-1.58,-.9,;-1.18,.59,;-2.27,1.67,;-3.76,1.28,;-1.87,3.16,;-2.78,4.41,;-1.87,5.65,;-.41,5.18,;.93,5.95,;2.26,5.18,;2.26,3.64,;.93,2.87,;-.41,3.64,)|
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(C)CCO
NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
CC(O)CCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
COc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1N1CCC(CO)CC1
COc1cc2ncccc2cc1NC(=O)c1csc2cc(CO)cnc12
O=C(Nc1cc2cccnc2cc1OC1CCNCC1)c1cnn2cccnc12
COc1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
OCC1CCN(CC1)c1cc2CC(=O)Nc2cc1NC(=O)c1cnn2cccnc12
CC(C)(CCO)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Cc1cc2cc(c(NC(=O)c3cnn4cccnc34)cc2[nH]1)-c1ccc(CO)cc1
CN(C)CC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
NC(O)C1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N[C@H](C)CO)nc12 |r|
NC(=O)C1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cccnc12
OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC3CC3)nc12
CC(O)C1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCO)nc12
NCc1ccc(cc1)-c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(O)CO)nc12
O=C(Nc1cc2NC(=O)Cc2cc1N1CCCCC1)c1cnn2cccnc12
OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCCN)nc12
NCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
NC(=O)c1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1OC1CCC(O)CC1 |(2.67,3.47,;1.33,4.23,;1.33,5.78,;,3.47,;,1.93,;-1.33,1.15,;-2.67,1.93,;-4,1.15,;-5.33,1.93,;-5.33,3.47,;-2.67,3.47,;-1.33,4.23,;-4,-.38,;-5.33,-1.15,;-2.67,-1.15,;-2.67,-2.69,;-4,-3.47,;-4,-5,;-5.33,-5.78,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;1.33,-5,;2.67,-5.78,;4,-5,;5.33,-5.78,;4,-3.47,;2.67,-2.69,)|
COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCN)nc12
O[C@H]1CC[C@H](C1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |r|
OC1CCC(CC1)Oc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12 |(5.33,-3.85,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;2.67,-.77,;4,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-3.08,;-4,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-4,3.08,;-5.33,3.85,;-5.33,5.39,;-2.67,5.39,;-1.33,6.16,;,5.39,;,3.85,;-1.33,3.08,;-2.67,3.85,)|
O=C(Nc1cc2cccnc2cc1OC1CCNCC1)c1csc2cncnc12
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(CCO)C(C)C
OCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
NCC1CCN(CC1)c1c(N)cccc1NC(=O)c1cnn2cccnc12
OC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
OC1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cc(Br)cnc12 |(5.33,-5.63,;4,-4.86,;2.67,-5.63,;1.33,-4.86,;1.33,-3.32,;2.67,-2.55,;4,-3.32,;,-2.55,;-1.33,-3.32,;-1.33,-4.86,;-2.67,-5.63,;-4,-4.86,;-5.33,-5.63,;-4,-3.32,;-2.67,-2.55,;-2.67,-1.01,;-4,-.24,;-5.33,-1.01,;-4,1.3,;-5.25,2.2,;-4.77,3.67,;-3.23,3.67,;-2.2,4.81,;-.69,4.49,;.34,5.63,;-.22,3.03,;-1.25,1.88,;-2.76,2.2,)|
O[C@H]1CC[C@H](CC1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12 |r,wU:4.7,1.0,(5.15,-5.95,;4.06,-4.86,;2.58,-5.26,;1.49,-4.17,;1.89,-2.68,;3.37,-2.28,;4.46,-3.37,;.8,-1.59,;-.69,-1.99,;-1.09,-3.48,;-2.58,-3.88,;-3.67,-2.79,;-5.15,-3.19,;-3.27,-1.3,;-1.78,-.9,;-1.38,.59,;-2.47,1.67,;-3.96,1.28,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;2.06,5.18,;2.06,3.64,;.73,2.87,;-.61,3.64,)|
Nc1cccc(NC(=O)c2cnn3cccnc23)c1N1CCCCC1
NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
OC1CCC(C1)Oc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12
OCc1ccc(N2CCCCC2)c(NC(=O)c2cnn3cccnc23)c1
NC(=O)c1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1O[C@@H]1CC[C@H](O)CC1 |r,wU:23.25,26.29,(2.67,3.47,;1.33,4.23,;1.33,5.78,;,3.47,;,1.93,;-1.33,1.15,;-2.67,1.93,;-4,1.15,;-5.33,1.93,;-5.33,3.47,;-2.67,3.47,;-1.33,4.23,;-4,-.38,;-5.33,-1.15,;-2.67,-1.15,;-2.67,-2.69,;-4,-3.47,;-4,-5,;-5.33,-5.78,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;1.33,-5,;2.67,-5.78,;4,-5,;5.33,-5.78,;4,-3.47,;2.67,-2.69,)|
OCc1ccc(cc1)-c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc2[nH]ncc2cc1NC(=O)c1cnn2cccnc12
NC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1N1CCC(CN)CC1
COc1cc2cc(C)[nH]c2cc1NC(=O)c1cnn2cccnc12
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(C)C)nc12
CC(C)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
OCCNc1ncc2scc(C(=O)Nc3ccc4ncccc4c3)c2n1
COc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1OC1CCC(O)CC1 |(4.73,5.18,;3.39,5.95,;2.06,5.18,;2.06,3.64,;.73,2.87,;-.61,3.64,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;-2.47,1.67,;-3.96,1.28,;-1.38,.59,;-1.78,-.9,;-3.27,-1.3,;-3.67,-2.79,;-5.15,-3.19,;-2.58,-3.88,;-1.09,-3.48,;-.69,-1.99,;.8,-1.59,;1.89,-2.68,;1.49,-4.17,;2.58,-5.26,;4.06,-4.86,;5.15,-5.95,;4.46,-3.37,;3.37,-2.28,)|
OCC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Clc1ccc(N2CCCC2)c(NC(=O)c2cnn3cccnc23)c1
Clc1ccc(N2CCCCC2)c(NC(=O)c2cnn3cccnc23)c1
OCCCOc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12
O[C@H]1CC[C@@H](CC1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12 |r,wU:4.7,wD:1.0,(5.15,-5.95,;4.06,-4.86,;4.46,-3.37,;3.37,-2.28,;1.89,-2.68,;1.49,-4.17,;2.58,-5.26,;.8,-1.59,;-.69,-1.99,;-1.09,-3.48,;-2.58,-3.88,;-3.67,-2.79,;-5.15,-3.19,;-3.27,-1.3,;-1.78,-.9,;-1.38,.59,;-2.47,1.67,;-3.96,1.28,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;2.06,5.18,;2.06,3.64,;.73,2.87,;-.61,3.64,)|
COc1cc2ccc(CO)cc2cc1NC(=O)c1cnn2cccnc12
OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
OCCCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(C)C(C)C
CCCN(C)c1ncc2scc(C(=O)Nc3cc(Cl)ccc3OC)c2n1
OCCCCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
O=C(Nc1cc2cccnc2cc1OC1CCNC1)c1csc2cncnc12
COc1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)Nc1ccccc1
OC1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12 |(5.33,-5,;4,-4.23,;2.67,-5,;1.33,-4.23,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;,-1.93,;-1.33,-2.69,;-1.33,-4.23,;-2.67,-5,;-4,-4.23,;-5.33,-5,;-4,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-4,1.93,;-5.33,2.69,;-5.33,4.23,;-2.67,4.23,;-1.33,5,;,4.23,;,2.69,;-1.33,1.93,;-2.67,2.69,)|
OC1CCCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Clc1ccc(OC2CCNCC2)c(NC(=O)c2cnn3cccnc23)c1
Clc1ccc(OC2CCNCC2)c(NC(=O)c2csc3cccnc23)c1
Oc1ccc(cc1)-c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
OC1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
OCC(O)CCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
CN1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Clc1ccc(OCc2cnco2)c(NC(=O)c2cnn3cccnc23)c1
Clc1ccc(N2CCOCC2)c(NC(=O)c2cnn3cccnc23)c1
Clc1ccc(c(NC(=O)c2cnn3cccnc23)c1)-c1ccccc1
NCC1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc2cc[nH]c2cc1NC(=O)c1csc2cncnc12
OC1CCCC(C1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12
COc1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)NCCCO
OCC1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
FC(F)Oc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
CN(C)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
NC1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc2cc[nH]c2cc1NC(=O)c1cnn2cccnc12
CSc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Clc1ccc(C2CCCCC2)c(NC(=O)c2cnn3cccnc23)c1
COc1cc(ccc1NC(=O)c1csc2cncnc12)C(=O)NCCCO
OCCNc1cccc(NC(=O)c2cnn3cccnc23)c1N1CCCCC1
Cc1ncoc1COc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
O=C(Nc1ccccc1-c1ccccc1)c1cnn2cccnc12
CC(C)(CCO)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
NC1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12 |(5.33,-4.86,;4,-4.09,;2.67,-4.86,;1.33,-4.09,;1.33,-2.55,;2.67,-1.78,;4,-2.55,;,-1.78,;-1.33,-2.55,;-1.33,-4.09,;-2.67,-4.86,;-4,-4.09,;-5.33,-4.86,;-4,-2.55,;-2.67,-1.78,;-2.67,-.24,;-4,.53,;-5.33,-.24,;-4,2.07,;-4.91,3.32,;-4,4.56,;-2.54,4.09,;-1.2,4.86,;.13,4.09,;.13,2.55,;-1.2,1.78,;-2.54,2.55,)|
Clc1ccc(N2CCCCCC2)c(NC(=O)c2cnn3cccnc23)c1
OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
Cc1ncoc1COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc(ccc1NC(=O)c1csc2cncnc12)C(=O)NCCO
COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COCCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Oc1cccc(c1)-c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCCO)nc12
COc1ccc(Br)cc1NC(=O)c1cnn2cccnc12
COc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
CN(CCO)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Oc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)cc1
CC[C@@H](CO)Nc1ncc2scc(C(=O)Nc3cc(Cl)ccc3OC)c2n1 |r|
COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCO)nc12
OCc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1OC1CCC(O)CC1 |(2.67,4.24,;1.33,5.01,;,4.24,;,2.7,;-1.33,1.93,;-2.67,2.7,;-4,1.93,;-5.33,2.7,;-5.33,4.24,;-2.67,4.24,;-1.33,5.01,;-4,.39,;-5.33,-.38,;-2.67,-.38,;-2.67,-1.92,;-4,-2.69,;-4,-4.23,;-5.33,-5,;-2.67,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.92,;1.33,-2.69,;1.33,-4.23,;2.67,-5.01,;4,-4.23,;5.33,-5,;4,-2.69,;2.67,-1.92,)|
COc1cc(ccc1NC(=O)c1cnn2cccnc12)C(N)=O
CC(C)COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
OCCCn1c(NC(=O)c2csc3cncnc23)nc2ccccc12
OC[C@H](O)COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12 |r|
COCCCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
OCCCOc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
OCC1CCCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2nccnc12
Oc1cccc(COc2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)c1
COc1cc(OC)c(NC(=O)c2cnn3cccnc23)cc1Cl
COc1ccc(C=C)cc1NC(=O)c1cnn2cccnc12
OCCCNc1cccc(NC(=O)c2cnn3cccnc23)c1N1CCCCC1
OCCCCc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)NCCO
OCCc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1OC1CCC(O)CC1 |(4.13,4.86,;2.8,4.09,;1.46,4.86,;.13,4.09,;.13,2.55,;-1.2,1.78,;-2.54,2.55,;-4,2.07,;-4.91,3.32,;-4,4.56,;-2.54,4.09,;-1.2,4.86,;-4,.53,;-5.33,-.24,;-2.67,-.24,;-2.67,-1.78,;-4,-2.55,;-4,-4.09,;-5.33,-4.86,;-2.67,-4.86,;-1.33,-4.09,;-1.33,-2.55,;,-1.78,;1.33,-2.55,;1.33,-4.09,;2.67,-4.86,;4,-4.09,;5.33,-4.86,;4,-2.55,;2.67,-1.78,)|
CC(N)C1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
CN(CCCO)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1ccc(Cl)cc1NC(=O)c1csc2cccnc12
CNCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
COc1ccc(\C=C\CO)cc1NC(=O)c1cnn2cccnc12
COc1ccc(C)cc1NC(=O)c1cnn2cccnc12
CCc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc(ccc1NC(=O)c1ccn2cccnc12)S(C)(=O)=O
Oc1cccc(Oc2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)c1
COc1ccc(Cl)cc1NC(=O)c1csc2cnc(nc12)N(C)CCO
COc1ccc(NC(=O)c2cnn3cccnc23)c(OC)c1
COc1ccc(F)cc1NC(=O)c1cnn2ccccc12
COC(=O)COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Clc1ccc(Oc2ccccc2)c(NC(=O)c2cnn3cccnc23)c1
COc1ccc(Cl)cc1NC(=O)c1csc2ccc(NCCO)nc12
OC[C@@H](O)COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12 |r|
OCC1CCCCN1c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
COc1cc(ccc1NC(=O)c1cnn2cccnc12)-c1ccccc1
CCc1ccc(OC)c(NC(=O)c2cnn3cccnc23)c1
COc1cc(c(C)cc1NC(=O)c1cnn2cccnc12)-c1ccccc1
COc1c(C)cc(C)cc1NC(=O)c1cnn2cccnc12
COc1ccccc1NC(=O)c1csc2cncnc12
Cc1ccn2ncc(C(=O)Nc3cc(Cl)ccc3OC3CCC(O)CC3)c2n1 |(1.29,3.12,;-.22,3.44,;-.69,4.9,;-2.2,5.22,;-3.23,4.08,;-4.77,4.08,;-5.25,2.61,;-4,1.71,;-4,.17,;-5.33,-.6,;-2.67,-.6,;-2.67,-2.14,;-4,-2.91,;-4,-4.45,;-5.33,-5.22,;-2.67,-5.22,;-1.33,-4.45,;-1.33,-2.91,;,-2.14,;1.33,-2.91,;1.33,-4.45,;2.67,-5.22,;4,-4.45,;5.33,-5.22,;4,-2.91,;2.67,-2.14,;-2.76,2.61,;-1.25,2.29,)|
COc1ccccc1NC(=O)c1cnn2cccnc12
COc1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)N(C)C
COc1ccc(NC(C)=O)cc1NC(=O)c1cnn2cccnc12
COc1cc(C(=O)Nc2ccccc2)c(Cl)cc1NC(=O)c1cnn2cccnc12
COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCNC(C)=O)nc12
COc1ccc(CCCO)cc1NC(=O)c1cnn2cccnc12
COc1cc(CO)ccc1NC(=O)c1cnn2cccnc12
OCCCc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1OC1CCC(O)CC1 |(5.4,4.09,;4.07,4.86,;2.73,4.09,;1.4,4.86,;.07,4.09,;.07,2.55,;-1.27,1.78,;-2.6,2.55,;-4.07,2.07,;-4.97,3.32,;-4.07,4.56,;-2.6,4.09,;-1.27,4.86,;-4.07,.53,;-5.4,-.24,;-2.73,-.24,;-2.73,-1.78,;-4.07,-2.55,;-4.07,-4.09,;-5.4,-4.86,;-2.73,-4.86,;-1.4,-4.09,;-1.4,-2.55,;-.07,-1.78,;1.27,-2.55,;1.27,-4.09,;2.6,-4.86,;3.94,-4.09,;5.27,-4.86,;3.94,-2.55,;2.6,-1.78,)|
OCCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
CNC(=O)c1cnc(Nc2ccc3NC(=O)C(F)(F)c3c2)cc1NC1CCCC1
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
CCOC(=O)c1cn2c(n1)sc1cc(Nc3cc(NC4CCCC4)c(cn3)C(=O)NC)ccc21
CNC(=O)c1cnc(Nc2nc3ccc(Cl)nc3s2)cc1NC(C)C
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)CO |r|
OC[C@H](F)CNC(=O)c1cnc(Nc2ccc3[nH]c(=O)sc3c2)cc1NC1CCCC1 |r|
OC[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCC(C)(C)O
CC(C)(O)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1
OC1(CCNC(=O)c2cnc(Nc3ccc4ncsc4c3)cc2NC2CC2)CCC1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCc1ccc(cc1)C(N)=O
CNC(=O)c1ccc(CCNC(=O)c2cnc(Nc3ccc4ncsc4c3)cc2NC(C)C)cc1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(O)C(C)C |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(O)C1CC1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(O)C(F)(F)F |r|
CC(O)([C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1)C(F)(F)F |r|
CC(C)Nc1cc(Nc2ccc3nsnc3c2)ncc1C(=O)NC[C@@H](F)C(O)C(C)C |r|
CC(C)Nc1cc(Nc2ccc3ncoc3c2)ncc1C(=O)NC[C@@H](F)C(O)C(C)C |r|
CC(C)C(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1 |r|
CC(C)C(O)C(F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C(O)CO)c1ccccc1
CC(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(O)(C1CC1)C(F)(F)F |r|
CC(C)(O)C1CC(C1)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(O)(C1CC1)C(F)(F)F |r,wU:29.33,(4.7,4.39,;4.7,2.85,;6.04,3.62,;6.04,2.08,;3.37,2.08,;2.97,.6,;1.48,1,;1.88,2.48,;.15,.23,;.15,-1.31,;1.48,-2.08,;1.48,-3.62,;2.82,-4.39,;4.15,-3.62,;4.15,-2.08,;5.48,-1.31,;6.82,-2.08,;8.28,-1.61,;9.19,-2.85,;8.28,-4.1,;6.82,-3.62,;5.48,-4.39,;.15,-4.39,;-1.18,-3.62,;-1.18,-2.08,;-2.52,-1.31,;-2.52,.23,;-3.85,-2.08,;-5.19,-1.31,;-6.52,-2.08,;-6.52,-3.62,;-7.85,-1.31,;-9.19,-2.08,;-6.76,-.23,;-5.28,.17,;-6.37,1.26,;-8.62,.02,;-10.16,.02,;-7.85,1.35,;-9.25,1.43,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3[nH]c(=O)sc3c2)cc1NC1CCCC1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nsnc3c2)cc1NC1CCCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCC(O)C1 |r|
CC(CO)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc3[nH]c(=O)sc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc3nsnc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O
CC(C)Nc1cc(Nc2cc3nsnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1cccc(F)c1 |r|
CC(C)Nc1cc(Nc2ccc3nonc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCC1 |r|
CC(C)Nc1cc(Nc2ccc3ncccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc3ncncc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCC(C)(O)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(OC(F)F)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCOCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCOC1 |r|
CC(C)Nc1cc(Nc2ccc3nccnc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc3nscc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1cccc(CO)c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3c2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1cccc(CCO)c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CC[C@H](N)CC1 |r,wU:4.4,27.29,wD:30.33,(-6.52,-1.54,;-7.85,-2.31,;-7.85,-.77,;-9.19,-3.08,;-6.52,-3.08,;-6.52,-4.62,;-5.19,-2.31,;-3.85,-3.08,;-2.52,-2.31,;-2.52,-.77,;-1.18,-3.08,;-1.18,-4.62,;.15,-5.39,;1.48,-4.62,;2.82,-5.39,;4.15,-4.62,;4.15,-3.08,;5.48,-2.31,;6.82,-3.08,;8.28,-2.6,;9.19,-3.85,;8.28,-5.1,;6.82,-4.62,;5.48,-5.39,;1.48,-3.08,;.15,-2.31,;.15,-.77,;.15,.77,;-1.18,1.54,;-1.18,3.08,;.15,3.85,;.15,5.39,;1.48,3.08,;1.48,1.54,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)c1ccccc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC(C1)C(C)(C)O |r,wU:4.4,(-6.52,-.54,;-7.85,-1.31,;-7.85,.23,;-9.19,-2.08,;-6.52,-2.08,;-6.52,-3.62,;-5.19,-1.31,;-3.85,-2.08,;-2.52,-1.31,;-2.52,.23,;-1.18,-2.08,;-1.18,-3.62,;.15,-4.39,;1.48,-3.62,;2.82,-4.39,;4.15,-3.62,;4.15,-2.08,;5.48,-1.31,;6.82,-2.08,;8.28,-1.61,;9.19,-2.85,;8.28,-4.1,;6.82,-3.62,;5.48,-4.39,;1.48,-2.08,;.15,-1.31,;.15,.23,;1.48,1,;2.97,.6,;3.37,2.08,;1.88,2.48,;4.7,2.85,;4.7,4.39,;6.04,3.62,;6.04,2.08,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1cc(F)cc(F)c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCC(CCO)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC(CO)C1 |r,wU:4.4,(-6.52,.23,;-7.85,-.54,;-7.85,1,;-9.19,-1.31,;-6.52,-1.31,;-6.52,-2.85,;-5.19,-.54,;-3.85,-1.31,;-2.52,-.54,;-2.52,1,;-1.18,-1.31,;-1.18,-2.85,;.15,-3.62,;1.48,-2.85,;2.82,-3.62,;4.15,-2.85,;4.15,-1.31,;5.48,-.54,;6.82,-1.31,;8.28,-.84,;9.19,-2.08,;8.28,-3.33,;6.82,-2.85,;5.48,-3.62,;1.48,-1.31,;.15,-.54,;.15,1,;1.48,1.77,;2.97,1.37,;3.37,2.85,;4.7,3.62,;6.04,2.85,;1.88,3.25,)|
CCOC(=O)C1CC(C1)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r,wU:30.34,(8.7,2.08,;7.37,2.85,;6.04,2.08,;4.7,2.85,;4.7,4.39,;3.37,2.08,;2.97,.6,;1.48,1,;1.88,2.48,;.15,.23,;.15,-1.31,;1.48,-2.08,;1.48,-3.62,;2.82,-4.39,;4.15,-3.62,;4.15,-2.08,;5.48,-1.31,;6.82,-2.08,;8.28,-1.61,;9.19,-2.85,;8.28,-4.1,;6.82,-3.62,;5.48,-4.39,;.15,-4.39,;-1.18,-3.62,;-1.18,-2.08,;-2.52,-1.31,;-2.52,.23,;-3.85,-2.08,;-5.19,-1.31,;-6.52,-2.08,;-6.52,-3.62,;-7.85,-1.31,;-6.52,-.54,;-7.85,.23,;-9.19,-2.08,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCOC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1NC1CCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1NC1CCCOC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nc(N)ccc3c2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12C3CC11CC2(N)CC(C3)C1 |r,TLB:31:30:28.36:34.32,THB:29:30:28.36:34.32|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1cc(Cl)cc(Cl)c1 |r|
CNC(=O)c1cc(F)c(Nc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nonc3c2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CC1 |r|
CC(C)(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC(F)(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1 |r|
Cc1cc(O)ccc1Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCCCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCCCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC2CCC1C2 |r,TLB:26:27:31.30:33|
CC(C)(C)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O)C(F)(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC1CCCO1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CC2CCC1C2 |r,TLB:27:28:32.31:34|
CCNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3n2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nonc3c2)cc1NC1CCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nonc3c2)cc1NC1CCOCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nonc3c2)cc1NCC(F)(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C1CC1)C1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nsnc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CC(C)(C)CNc1cc(Nc2ccc3nccnc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC1CCCC1Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O)C1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC(F)(F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1C2CCCC12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncoc3c2)cc1NCC(F)(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nc(O)sc3c2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC1CCCC1O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC1CCCC1F |r|
CC(C)Nc1cc(Nc2ccc3nnccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2cc(F)c3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC(F)(F)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CC1 |r|
CC(C)Nc1cc(Nc2ccc3ncccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
COc1ncnc2ccc(Nc3cc(NC4CCOCC4)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)cc12 |r|
CCNc1cc(Nc2ccc3ncnc(OC)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(F)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(F)CNc1cc(Nc2ccc3ncccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
COc1ncnc2ccc(Nc3cc(NC4CC4)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)cc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCCC1CC1 |r|
CC(C)Nc1cc(Nc2ccc3ncoc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ccncc3c2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(O)(CC1)C2 |r|
CC(C)(F)CNc1cc(Nc2ccc3ncccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC(CO)C1 |r|
CC(F)(F)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CCC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(=O)NC12CCC(CC1)(C2)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(N)(CC1)C2 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC12CCC(O)(CC1)C2 |r|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12C[C@H]3C[C@](C)(C[C@](O)(C3)C1)C2 |r,TLB:30:28:32:22.23.24,30:23:32:28.31.27,THB:29:28:32:22.23.24|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)c1ccccc1 |r|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1C2CC3CC1CC(O)(C3)C2 |TLB:20:21:27:30.24.25,21:22:30:27.26.25,THB:23:22:27:30.24.25,23:24:27:22.21.31,21:26:30:22.23.31,(-7.19,-2.01,;-5.85,-2.78,;-4.52,-2.01,;-4.52,-.47,;-3.19,-2.78,;-3.19,-4.32,;-1.85,-5.09,;-.52,-4.32,;.82,-5.09,;2.15,-4.32,;2.15,-2.78,;3.48,-2.01,;4.82,-2.78,;6.28,-2.31,;7.19,-3.55,;6.28,-4.8,;4.82,-4.32,;3.48,-5.09,;-.52,-2.78,;-1.85,-2.01,;-1.85,-.47,;-2.62,.86,;-1.73,2.79,;-1.73,4.33,;-3.05,5.09,;-3.81,3.93,;-3.82,1.53,;-5.22,.88,;-4.39,2.79,;-5.93,2.79,;-4.39,4.33,;-3.05,2.01,)|
CN1CCCC1CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
OC[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1 |r|
O=C(NCCN1CCCC1)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
CC(=O)NCCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
O=C(NCC#N)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
O=C(NCCN1CCOCC1)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
O=C(Nc1ccc(CN2CCOCC2)cc1)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
O=C(Nc1ccc(Cn2cncn2)cc1)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
OC1CCC(CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1 |(-9.19,1.69,;-7.85,.92,;-6.52,1.69,;-5.19,.92,;-5.19,-.62,;-6.52,-1.39,;-7.85,-.62,;-3.85,-1.39,;-2.52,-.62,;-2.52,.92,;-1.18,-1.39,;-1.18,-2.93,;.15,-3.7,;1.48,-2.93,;2.82,-3.7,;4.15,-2.93,;4.15,-1.39,;5.48,-.62,;6.82,-1.39,;8.28,-.92,;9.19,-2.16,;8.28,-3.41,;6.82,-2.93,;5.48,-3.7,;1.48,-1.39,;.15,-.62,;.15,.92,;1.48,1.69,;2.95,1.21,;3.85,2.46,;2.95,3.7,;1.48,3.23,)|
O=C[C@H](Cc1ccccc1)NCN1CCC(CCNC(=O)c2cnc(Nc3ccc4ncsc4c3)cc2NC2CCCC2)CC1 |r|
CCCNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CCCCNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCCO |r|
CC(C)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)CCNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCCN1CCOCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCCc1ccccc1 |r|
Cc1ccccc1CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCc1ccc(Cl)cc1 |r|
COc1ccc(CNc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
CC1(O)CCC(CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1 |(-9.19,2.03,;-7.85,1.26,;-9.19,.49,;-6.52,2.03,;-5.19,1.26,;-5.19,-.28,;-6.52,-1.05,;-7.85,-.28,;-3.85,-1.05,;-2.52,-.28,;-2.52,1.26,;-1.18,-1.05,;-1.18,-2.59,;.15,-3.36,;1.48,-2.59,;2.82,-3.36,;4.15,-2.59,;4.15,-1.05,;5.48,-.28,;6.82,-1.05,;8.28,-.58,;9.19,-1.82,;8.28,-3.07,;6.82,-2.59,;5.48,-3.36,;1.48,-1.05,;.15,-.28,;.15,1.26,;1.48,2.03,;3.02,2.03,;2.25,3.36,)|
CC(C)(O)C(F)(F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC(F)(F)C(C)(C)O
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCCC(CO)C1
CC(C)(O)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H]1CC[C@H](F)CC1 |r,wU:26.28,29.32,(-9.19,-1.54,;-7.85,-.77,;-7.85,.77,;-9.19,,;-6.52,-1.54,;-5.19,-.77,;-3.85,-1.54,;-2.52,-.77,;-2.52,.77,;-1.18,-1.54,;-1.18,-3.08,;.15,-3.85,;1.48,-3.08,;2.82,-3.85,;4.15,-3.08,;4.15,-1.54,;5.48,-.77,;6.82,-1.54,;8.28,-1.06,;9.19,-2.31,;8.28,-3.56,;6.82,-3.08,;5.48,-3.85,;1.48,-1.54,;.15,-.77,;.15,.77,;1.48,1.54,;2.82,.77,;4.15,1.54,;4.15,3.08,;5.48,3.85,;2.82,3.85,;1.48,3.08,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC12CCC(O)(CC1)C2
CC(C)NC(=O)N[C@H](C)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@H](C)NC(C)=O |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@H](C)NC(=O)CC(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(C)=O |r|
CC(C)NC(=O)N[C@@H](C)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)N1CCOCC1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)OC(C)C |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)C1CCCC1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)c1ccccc1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)[C@@H]1CCC(F)(F)C1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[C@@H](F)C1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CC1CCCCC1(F)F |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CC1CCOCC1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CCCC(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CCCCC(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CN(C)C |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)Cn1ccnn1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CC1CCCOC1 |r|
CC(C)NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r,wU:6.5,wD:9.12,(-10.8,3.2,;-9.31,3.6,;-8.92,5.09,;-8.23,2.51,;-6.74,2.91,;-6.34,4.4,;-5.65,1.82,;-4.16,2.22,;-3.07,1.13,;-3.47,-.36,;-4.96,-.76,;-6.05,.33,;-2.38,-1.45,;-1.05,-.68,;-1.05,.86,;.29,-1.45,;.29,-2.99,;1.62,-3.76,;2.95,-2.99,;4.29,-3.76,;5.77,-3.36,;6.25,-1.89,;7.76,-1.57,;8.79,-2.72,;10.33,-2.72,;10.8,-4.18,;9.56,-5.09,;8.31,-4.18,;6.8,-4.5,;2.95,-1.45,;1.62,-.68,;1.62,.86,;2.95,1.63,;2.95,3.17,;4.49,1.63,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NCC(C)(C)O |r,wU:26.32,wD:23.25,(3.7,3.37,;3.7,1.83,;5.24,1.83,;2.36,1.06,;2.36,-.48,;3.7,-1.25,;3.7,-2.79,;5.03,-3.56,;6.52,-3.16,;6.99,-1.69,;8.5,-1.37,;9.53,-2.52,;11.07,-2.52,;11.55,-3.98,;10.3,-4.89,;9.05,-3.98,;7.55,-4.3,;2.36,-3.56,;1.03,-2.79,;1.03,-1.25,;-.31,-.48,;-.31,1.06,;-1.64,-1.25,;-2.73,-.16,;-2.33,1.33,;-3.42,2.42,;-4.91,2.02,;-5.3,.53,;-4.22,-.56,;-5.99,3.11,;-5.6,4.6,;-7.48,2.71,;-8.57,3.8,;-10.06,3.4,;-11.55,3,;-10.06,1.86,;-10.46,4.89,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r,wU:4.3,wD:7.10,(-10.06,3.95,;-8.97,2.86,;-7.48,3.25,;-7.08,4.74,;-6.39,2.17,;-4.91,2.56,;-3.82,1.48,;-4.22,-.01,;-5.7,-.41,;-6.79,.68,;-3.13,-1.1,;-1.79,-.33,;-1.79,1.21,;-.46,-1.1,;-.46,-2.64,;.87,-3.41,;2.21,-2.64,;3.54,-3.41,;5.03,-3.01,;5.51,-1.55,;7.01,-1.23,;8.04,-2.37,;9.58,-2.37,;10.06,-3.84,;8.81,-4.74,;7.57,-3.84,;6.06,-4.16,;2.21,-1.1,;.87,-.33,;.87,1.21,;2.21,1.98,;2.21,3.52,;3.75,1.98,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](F)C1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCCNC(C)=O
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O |r,wU:26.32,wD:23.25,(2.82,3.47,;2.82,1.93,;4.15,1.15,;1.48,1.15,;1.48,-.38,;2.82,-1.15,;2.82,-2.69,;4.15,-3.47,;5.48,-2.69,;5.48,-1.15,;6.82,-.38,;8.15,-1.15,;9.62,-.68,;10.52,-1.93,;9.62,-3.17,;8.15,-2.69,;6.82,-3.47,;1.48,-3.47,;.15,-2.69,;.15,-1.15,;-1.18,-.38,;-1.18,1.15,;-2.52,-1.15,;-3.85,-.38,;-3.85,1.15,;-5.19,1.93,;-6.52,1.15,;-6.52,-.38,;-5.19,-1.15,;-7.85,1.93,;-9.19,1.15,;-10.52,1.93,;-9.19,-.38,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccccn1 |r,wU:26.32,wD:23.25,(4.15,3.08,;4.15,1.54,;5.48,.77,;2.82,.77,;2.82,-.77,;4.15,-1.54,;4.15,-3.08,;5.48,-3.85,;6.82,-3.08,;6.82,-1.54,;8.15,-.77,;9.48,-1.54,;10.95,-1.06,;11.85,-2.31,;10.95,-3.56,;9.48,-3.08,;8.15,-3.85,;2.82,-3.85,;1.48,-3.08,;1.48,-1.54,;.15,-.77,;.15,.77,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-5.19,-.77,;-3.85,-1.54,;-6.52,1.54,;-7.85,.77,;-7.85,-.77,;-9.19,1.54,;-9.19,3.08,;-10.52,3.85,;-11.85,3.08,;-11.85,1.54,;-10.52,.77,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cccnc1 |r,wU:26.32,wD:23.25,(4.15,3.08,;4.15,1.54,;5.48,.77,;2.82,.77,;2.82,-.77,;4.15,-1.54,;4.15,-3.08,;5.48,-3.85,;6.82,-3.08,;6.82,-1.54,;8.15,-.77,;9.48,-1.54,;10.95,-1.06,;11.85,-2.31,;10.95,-3.56,;9.48,-3.08,;8.15,-3.85,;2.82,-3.85,;1.48,-3.08,;1.48,-1.54,;.15,-.77,;.15,.77,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-5.19,-.77,;-3.85,-1.54,;-6.52,1.54,;-7.85,.77,;-7.85,-.77,;-9.19,1.54,;-9.19,3.08,;-10.52,3.85,;-11.85,3.08,;-11.85,1.54,;-10.52,.77,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:26.29,wD:23.25,(1.48,3.47,;1.48,1.93,;2.82,1.15,;.15,1.15,;.15,-.38,;1.48,-1.15,;1.48,-2.69,;2.82,-3.47,;4.15,-2.69,;4.15,-1.15,;5.48,-.38,;6.82,-1.15,;8.28,-.68,;9.19,-1.93,;8.28,-3.17,;6.82,-2.69,;5.48,-3.47,;.15,-3.47,;-1.18,-2.69,;-1.18,-1.15,;-2.52,-.38,;-2.52,1.15,;-3.85,-1.15,;-5.19,-.38,;-5.19,1.15,;-6.52,1.93,;-7.85,1.15,;-9.19,1.93,;-7.85,-.38,;-6.52,-1.15,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O |r,wU:26.32,wD:23.25,(2.82,3.47,;2.82,1.93,;4.15,1.15,;1.48,1.15,;1.48,-.38,;2.82,-1.15,;2.82,-2.69,;4.15,-3.47,;5.48,-2.69,;5.48,-1.15,;6.82,-.38,;8.15,-1.15,;9.62,-.68,;10.52,-1.93,;9.62,-3.17,;8.15,-2.69,;6.82,-3.47,;1.48,-3.47,;.15,-2.69,;.15,-1.15,;-1.18,-.38,;-1.18,1.15,;-2.52,-1.15,;-3.85,-.38,;-3.85,1.15,;-5.19,1.93,;-6.52,1.15,;-6.52,-.38,;-5.19,-1.15,;-7.85,1.93,;-9.19,1.15,;-9.19,-.38,;-10.52,1.93,;-10.52,.38,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)N1CCOCC1 |r,wU:26.32,wD:23.25,(4.15,3.08,;4.15,1.54,;5.48,.77,;2.82,.77,;2.82,-.77,;4.15,-1.54,;4.15,-3.08,;5.48,-3.85,;6.82,-3.08,;6.82,-1.54,;8.15,-.77,;9.48,-1.54,;10.95,-1.06,;11.85,-2.31,;10.95,-3.56,;9.48,-3.08,;8.15,-3.85,;2.82,-3.85,;1.48,-3.08,;1.48,-1.54,;.15,-.77,;.15,.77,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-5.19,-.77,;-3.85,-1.54,;-6.52,1.54,;-7.85,.77,;-7.85,-.77,;-9.19,1.54,;-9.19,3.08,;-10.52,3.85,;-11.85,3.08,;-11.85,1.54,;-10.52,.77,)|
CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r,wU:7.6,wD:10.13,(-11.85,1.93,;-10.52,1.15,;-10.52,-.38,;-9.19,1.93,;-7.85,1.15,;-7.85,-.38,;-6.52,1.93,;-5.19,1.15,;-3.85,1.93,;-2.52,1.15,;-2.52,-.38,;-3.85,-1.15,;-5.19,-.38,;-1.18,-1.15,;.15,-.38,;.15,1.15,;1.48,-1.15,;1.48,-2.69,;2.82,-3.47,;4.15,-2.69,;5.48,-3.47,;6.82,-2.69,;6.82,-1.15,;8.15,-.38,;9.48,-1.15,;10.95,-.68,;11.85,-1.93,;10.95,-3.17,;9.48,-2.69,;8.15,-3.47,;4.15,-1.15,;2.82,-.38,;2.82,1.15,;4.15,1.93,;4.15,3.47,;5.48,1.15,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccncc1 |r,wU:26.32,wD:23.25,(4.15,3.08,;4.15,1.54,;5.48,.77,;2.82,.77,;2.82,-.77,;4.15,-1.54,;4.15,-3.08,;5.48,-3.85,;6.82,-3.08,;6.82,-1.54,;8.15,-.77,;9.48,-1.54,;10.95,-1.06,;11.85,-2.31,;10.95,-3.56,;9.48,-3.08,;8.15,-3.85,;2.82,-3.85,;1.48,-3.08,;1.48,-1.54,;.15,-.77,;.15,.77,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-5.19,-.77,;-3.85,-1.54,;-6.52,1.54,;-7.85,.77,;-7.85,-.77,;-9.19,1.54,;-9.19,3.08,;-10.52,3.85,;-11.85,3.08,;-11.85,1.54,;-10.52,.77,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)N(C)c1ccccc1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCCCNC(C)=O
CC(C)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
CC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC12CC3CC(CC(O)(C3)C1)C2 |TLB:33:23:31:26.27.28,22:23:26:31.29.28,THB:33:27:31:23.32.24,32:23:26:31.29.28,32:29:26:23.33.24|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)N1CCCC1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1(CC1)[N+]#[C-] |r,wU:23.25,wD:26.32,(4.8,3.52,;4.8,1.98,;6.13,1.21,;3.47,1.21,;2.13,1.98,;2.13,3.52,;.8,4.29,;.8,5.83,;-.53,6.6,;-.53,8.14,;-1.87,8.91,;-3.2,8.14,;-4.67,8.62,;-5.57,7.37,;-4.67,6.13,;-3.2,6.6,;-1.87,5.83,;-.53,3.52,;-.53,1.98,;.8,1.21,;.8,-.33,;-.53,-1.1,;2.13,-1.1,;2.13,-2.64,;3.47,-3.41,;3.47,-4.95,;2.13,-5.72,;.8,-4.95,;.8,-3.41,;2.13,-7.26,;3.47,-8.03,;.8,-8.03,;.8,-9.57,;.27,-11.02,;-.72,-9.84,;2.32,-9.84,;3.83,-10.1,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC12CC3CC(CC(O)(C3)C1)C2 |r,wU:26.32,wD:23.25,TLB:42:32:40:35.36.37,39:38:35:32.42.33,THB:42:36:40:32.41.33,41:32:35:40.38.37,41:38:35:32.42.33,31:32:40:35.36.37,(4.56,3.08,;4.56,1.54,;5.9,.77,;3.23,.77,;3.23,-.77,;4.56,-1.54,;4.56,-3.08,;5.9,-3.85,;7.23,-3.08,;7.23,-1.54,;8.56,-.77,;9.9,-1.54,;11.36,-1.06,;12.27,-2.31,;11.36,-3.56,;9.9,-3.08,;8.56,-3.85,;3.23,-3.85,;1.9,-3.08,;1.9,-1.54,;.56,-.77,;.56,.77,;-.77,-1.54,;-2.1,-.77,;-2.1,.77,;-3.44,1.54,;-4.77,.77,;-4.77,-.77,;-3.44,-1.54,;-6.11,1.54,;-6.11,3.08,;-7.44,.77,;-8.77,1.54,;-10.1,.77,;-11.43,1.54,;-11.43,3.08,;-10.1,3.85,;-10.86,2.68,;-10.87,.28,;-11.64,-1.05,;-12.27,-.36,;-9.67,-.38,;-8.77,3.08,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CCN(C1)S(C)(=O)=O |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@@H]1CC[C@@H](CC1)NC(C)=O |r,wD:23.25,26.32,(3.23,3.47,;3.23,1.93,;4.56,1.15,;1.9,1.15,;1.9,-.38,;3.23,-1.15,;3.23,-2.69,;4.56,-3.47,;5.9,-2.69,;5.9,-1.15,;7.23,-.38,;8.56,-1.15,;10.03,-.68,;10.93,-1.93,;10.03,-3.17,;8.56,-2.69,;7.23,-3.47,;1.9,-3.47,;.56,-2.69,;.56,-1.15,;-.77,-.38,;-.77,1.15,;-2.11,-1.15,;-3.65,-1.15,;-4.42,-2.49,;-5.96,-2.49,;-6.73,-1.15,;-5.96,.18,;-4.42,.18,;-8.27,-1.15,;-9.6,-.38,;-10.93,-1.15,;-9.6,1.15,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCN(CC1)S(C)(=O)=O
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCN(CC1)C(=O)N1CCOCC1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCN(CC1)C(=O)c1cccnc1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC12CCC(O)(CC1)C2 |r,wU:26.32,wD:23.25,(3.84,2.28,;3.84,.74,;5.38,.74,;2.51,-.03,;2.51,-1.57,;3.84,-2.34,;3.84,-3.88,;5.18,-4.65,;6.66,-4.25,;7.14,-2.78,;8.65,-2.46,;9.68,-3.61,;11.22,-3.61,;11.69,-5.07,;10.45,-5.98,;9.2,-5.07,;7.69,-5.39,;2.51,-4.65,;1.17,-3.88,;1.17,-2.34,;-.16,-1.57,;-.16,-.03,;-1.49,-2.34,;-2.58,-1.25,;-2.18,.24,;-3.27,1.33,;-4.76,.93,;-5.16,-.56,;-4.07,-1.65,;-5.85,2.02,;-5.45,3.51,;-7.34,1.62,;-8.43,2.71,;-8.03,4.2,;-9.12,5.29,;-10.6,4.89,;-11.69,5.98,;-11,3.4,;-9.91,2.31,;-9.23,4.1,)|
CNC(=O)[C@H]1CC[C@@H](C1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](C1)C(=O)NC1(CC1)C#N |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC12CCC(N)(CC1)CC2
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC12CCC(N)(CC1)C2
CCNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r,wU:5.4,wD:8.11,(-10.8,3.55,;-9.31,3.95,;-8.23,2.86,;-6.74,3.25,;-6.34,4.74,;-5.65,2.17,;-4.16,2.56,;-3.07,1.48,;-3.47,-.01,;-4.96,-.41,;-6.05,.68,;-2.38,-1.1,;-1.05,-.33,;-1.05,1.21,;.29,-1.1,;.29,-2.64,;1.62,-3.41,;2.95,-2.64,;4.29,-3.41,;5.77,-3.01,;6.25,-1.55,;7.76,-1.23,;8.79,-2.37,;10.33,-2.37,;10.8,-3.84,;9.56,-4.74,;8.31,-3.84,;6.8,-4.16,;2.95,-1.1,;1.62,-.33,;1.62,1.21,;2.95,1.98,;2.95,3.52,;4.49,1.98,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC12CCC(CC1)(CC2)C(=O)NCC(C)(C)O
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1CC1 |r,wU:26.32,wD:23.25,(2.95,3.17,;2.95,1.63,;4.49,1.63,;1.62,.86,;1.62,-.68,;2.95,-1.45,;2.95,-2.99,;4.29,-3.76,;5.77,-3.36,;6.25,-1.89,;7.76,-1.57,;8.79,-2.72,;10.33,-2.72,;10.8,-4.18,;9.56,-5.09,;8.31,-4.18,;6.8,-4.5,;1.62,-3.76,;.29,-2.99,;.29,-1.45,;-1.05,-.68,;-1.05,.86,;-2.38,-1.45,;-3.47,-.36,;-3.07,1.13,;-4.16,2.22,;-5.65,1.82,;-6.05,.33,;-4.96,-.76,;-6.74,2.91,;-6.34,4.4,;-8.23,2.51,;-9.31,3.6,;-9.71,5.09,;-10.8,4,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(N)=O |r,wU:26.32,wD:23.25,(1.66,3.52,;1.66,1.98,;3.2,1.98,;.33,1.21,;.33,-.33,;1.66,-1.1,;1.66,-2.64,;3,-3.41,;4.49,-3.01,;4.96,-1.55,;6.47,-1.23,;7.5,-2.37,;9.04,-2.37,;9.51,-3.84,;8.27,-4.74,;7.02,-3.84,;5.52,-4.16,;.33,-3.41,;-1,-2.64,;-1,-1.1,;-2.34,-.33,;-2.34,1.21,;-3.67,-1.1,;-4.76,-.01,;-4.36,1.48,;-5.45,2.56,;-6.94,2.17,;-7.34,.68,;-6.25,-.41,;-8.03,3.25,;-7.63,4.74,;-9.51,2.86,)|
CNC(=O)C12CCC(CC1)(CC2)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCOCC1F |r|
CC1COCCC1Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1COCCC1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCOCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NCC(F)(F)F |r|
CCNc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCC(F)(F)C1 |r|
CC(C)Nc1cc(Nc2ccn3ncc(Cl)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccn3ncc(F)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCCC1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCC(F)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCOCC1F |r|
CC(C)Nc1cc(Nc2ccn3nc(C)cc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3ncc(F)c3n2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3ncc(F)c3n2)cc1NC1CCC1 |r|
CC(C)(F)CNc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1COCCC1F |r|
CC(C)(F)CNc1cc(Nc2ccn3ncc(F)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccn3ncc(C#N)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CC(F)C1 |r,wU:4.4,(-7.08,.79,;-7.85,-.54,;-8.62,.79,;-9.19,-1.31,;-6.52,-1.31,;-6.52,-2.85,;-5.19,-.54,;-3.85,-1.31,;-2.52,-.54,;-2.52,1,;-1.18,-1.31,;-1.18,-2.85,;.15,-3.62,;1.48,-2.85,;2.82,-3.62,;4.15,-2.85,;4.15,-1.31,;5.48,-.54,;6.82,-1.31,;8.28,-.84,;9.19,-2.08,;8.28,-3.33,;6.82,-2.85,;5.48,-3.62,;1.48,-1.31,;.15,-.54,;.15,1,;1.48,1.77,;2.97,1.37,;3.37,2.85,;4.7,3.62,;1.88,3.25,)|
CC(C)(F)CNc1cc(Nc2ccn3ncc(Cl)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3ncc(F)c3n2)cc1NC1CC(F)(F)C1 |r|
Cc1cc2nc(Nc3cc(NC4CCC(F)C4)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)ccn2n1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCCC1F |r|
CC(C)(C)CNc1cc(Nc2ccc3nccn3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
Cc1cnc2ccc(Nc3cc(NC4CC4)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)nn12 |r|
CC(C)Nc1cc(Nc2ccc3ncc(C)n3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
Cc1cn2nc(Nc3cc(NC4CC4)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)ccc2n1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCOCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCC(F)C1 |r|
OC1CCC(CC1)NC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCC1 |(-9.19,1.95,;-7.85,1.18,;-6.52,1.95,;-5.19,1.18,;-5.19,-.36,;-6.52,-1.13,;-7.85,-.36,;-3.85,-1.13,;-2.52,-.36,;-2.52,1.18,;-1.18,-1.13,;-1.18,-2.67,;.15,-3.44,;1.48,-2.67,;2.82,-3.44,;4.15,-2.67,;4.15,-1.13,;5.48,-.36,;6.82,-1.13,;8.28,-.65,;9.19,-1.9,;8.28,-3.14,;6.82,-2.67,;5.48,-3.44,;1.48,-1.13,;.15,-.36,;.15,1.18,;1.48,1.95,;2.97,1.55,;3.37,3.04,;1.88,3.44,)|
CC(C)(O)C(F)(F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1
CC(C)(O)CCNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCOCC1F |r|
CC(C)Nc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CCC(F)C1 |r|
CC(C)Nc1cc(Nc2ccn3ncc(F)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)CNc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NCC1CC1 |r|
CC(C)(C)Nc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NCCC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CCC(F)(F)C1 |r|
CC(C)(F)CNc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccn3ncc(Cl)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CC(F)C1 |r,wU:4.4,(-7.08,.79,;-7.85,-.54,;-8.62,.79,;-9.19,-1.31,;-6.52,-1.31,;-6.52,-2.85,;-5.19,-.54,;-3.85,-1.31,;-2.52,-.54,;-2.52,1,;-1.18,-1.31,;-1.18,-2.85,;.15,-3.62,;1.48,-2.85,;2.82,-3.62,;4.15,-2.85,;4.15,-1.31,;5.48,-.54,;6.82,-1.31,;8.28,-.84,;9.19,-2.08,;8.28,-3.33,;6.82,-2.85,;5.48,-3.62,;1.48,-1.31,;.15,-.54,;.15,1,;1.48,1.77,;2.97,1.37,;3.37,2.85,;4.7,3.62,;1.88,3.25,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CCCC1(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CCOCC1F |r|
Cc1nn2ccc(Nc3cc(NCC(C)(C)F)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)cc2c1F |r|
CC(C)(F)CNc1cc(Nc2ccn3ncc(F)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CCC(C)Nc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CC1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NCC(F)(F)F |r|
CCNc1cc(Nc2ccc3ncsc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3n2)ncc1C(=O)NCC(F)(F)C(C)(C)O
CC(C)(F)CNc1cc(Nc2ccc3ncsc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cc3scnc3cn2)cc1NC1CC1 |r|
CC(C)(F)CNc1cc(Nc2cc3scnc3cn2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC(C)(C)F |r|
CC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC12CCC(N)(CC1)CC2
CNC(=O)c1ccc(Nc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)C(N)=O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)C(=O)NC1CC1 |r|
CCNC(=O)c1ccc(Nc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
CN(C)C(=O)c1ccc(Nc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)C(=O)NCC(F)(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)C(=O)NCCO |r|
CCCNC(=O)c1ccc(Nc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCCC(O)C1 |r|
CC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCCC(F)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1N[C@@H]1CCC[C@H]1O |r|
CC(C)C(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H]1CCC[C@H]1O |r|
CC(O)([C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H]1CCC[C@H]1O)C(F)(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncoc3c2)cc1N[C@@H]1CCC[C@H]1O |r|
OC[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCC1O |r|
CC(O)([C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1F)C(F)(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H]1CCCC1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1NC1CCCC1F |r|
Cc1nc2cc(F)c(Nc3cc(NC4CCCC4F)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)cc2s1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCC1F |r|
Cc1nc2ccc(Nc3cc(NC4CCCC4F)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)cc2s1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3c2)cc1NC1CCCC1F |r|
OC1CCC(CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1F |(-9.19,1.54,;-7.85,.77,;-6.52,1.54,;-5.19,.77,;-5.19,-.77,;-6.52,-1.54,;-7.85,-.77,;-3.85,-1.54,;-2.52,-.77,;-2.52,.77,;-1.18,-1.54,;-1.18,-3.08,;.15,-3.85,;1.48,-3.08,;2.82,-3.85,;4.15,-3.08,;4.15,-1.54,;5.48,-.77,;6.82,-1.54,;8.28,-1.06,;9.19,-2.31,;8.28,-3.56,;6.82,-3.08,;5.48,-3.85,;1.48,-1.54,;.15,-.77,;.15,.77,;1.48,1.54,;2.95,1.06,;3.85,2.31,;2.95,3.56,;1.48,3.08,;.15,3.85,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncoc3c2)cc1N[C@@H]1CCCC1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nonc3c2)cc1N[C@@H]1CCCC1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCC1(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3c2)cc1NC1CCCC1(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(NC2=CC3SC=NC3C=C2)cc1NC1CC(C1)C(F)F |r,wU:4.4,c:19,23,t:15,(-8.62,5.25,;-7.85,3.92,;-6.52,4.69,;-9.19,3.15,;-6.52,3.15,;-6.52,1.61,;-5.19,3.92,;-3.85,3.15,;-2.52,3.92,;-2.52,5.46,;-1.18,3.15,;-1.18,1.61,;.15,.84,;1.48,1.61,;2.82,.84,;4.15,1.61,;5.48,.84,;6.82,1.61,;8.28,1.13,;9.19,2.38,;8.28,3.63,;6.82,3.15,;5.48,3.92,;4.15,3.15,;1.48,3.15,;.15,3.92,;.15,5.46,;1.48,6.23,;2.97,5.83,;3.37,7.32,;1.88,7.72,;4.7,8.09,;6.04,7.32,;4.7,9.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCC(F)C1 |r|
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCOCC1 |r|
CC(C)Nc1cc(Nc2ncc3ncccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc3ncccc3n2)cc1NC1CCOCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NC1CC1 |r|
CC(C)(F)CNc1cc(Nc2ccc3ncc(cc3n2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc3ncc(Cl)cc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)S(C)(=O)=O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1Nc1ccc(cc1)S(C)(=O)=O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCSCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCSCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NCC(F)F |r|
CCC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NCC(C)(C)F |r|
CCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC(C)C |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCC(F)(F)C1 |r|
CC(C)Nc1cc(Nc2ccc3[nH]c(=O)oc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NC(=O)c1ccccc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NC(=O)c1cccnc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NS(C)(=O)=O |r|
CCOC(=O)NC12CCC(CC1)(C2)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CN(C)CC(=O)NC12CCC(CC1)(C2)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NC(=O)c1ccncc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NC(=O)c1ccccn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NS(=O)(=O)c1ccccc1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCN1CCOCC1
CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(Nc2cc3scnc3cn2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCCC1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NC1CCC(F)(F)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCC(F)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NC1CCC(F)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)-c1cc[nH]n1 |r|
CC(C)Nc1cc(Nc2cnc3[nH]ccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ncc(CO)s1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1C2CCCC1CCC2 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3ncc(F)c3c2)cc1NC1CC(F)(F)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1Nc1ncc(s1)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCCOC1 |r|
CC(CO)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1C2CCCC12 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCCC(C1)C(C)(C)O
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cnc3[nH]ccc3c2)cc1NC1CCOCC1 |r|
CC(C)Nc1cc(Nc2ccc3ncc(F)cc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(F)cc3n2)cc1NC1CCOCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(F)cc3n2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCOCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCCOC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NCC(F)(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cnc3[nH]ccc3c2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2F)cc1N[C@@H]1CCCC1(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCOCC1F |r|
CCNc1cc(Nc2ccc3ncc(F)cc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCOCC1F |r|
CC(C)Nc1cc(Nc2ncc3ncsc3c2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NC1CCCC1(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NC1CCCOC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C(N)=O)cc1NC1CCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc3ncccc3n2)cc1N[C@H]1CCC[C@@H]1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc3ncccc3n2)cc1N[C@@H]1CCC[C@@H]1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc3ncccc3n2)cc1NC1CCC(F)C1 |r|
CO[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncoc3c2)cc1NC(C)C |r,wU:5.8,wD:2.1,(-9.85,1.15,;-8.52,1.93,;-7.19,1.15,;-7.19,-.38,;-5.85,-1.15,;-4.52,-.38,;-4.52,1.15,;-5.85,1.93,;-3.19,-1.15,;-1.85,-.38,;-1.85,1.15,;-.52,-1.15,;-.52,-2.69,;.82,-3.47,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;4.82,-1.15,;6.15,-.38,;7.48,-1.15,;8.95,-.68,;9.85,-1.93,;8.95,-3.17,;7.48,-2.69,;6.15,-3.47,;2.15,-1.15,;.82,-.38,;.82,1.15,;2.15,1.93,;2.15,3.47,;3.48,1.15,)|
CC(F)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CC2CC2C1(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1Nc1ncc(s1)C(C)(C)O |r|
CC(C)(F)CNc1cc(Nc2cc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(2.15,3.47,;2.15,1.93,;3.48,1.15,;.82,1.15,;.82,-.38,;2.15,-1.15,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;4.82,-1.15,;6.15,-.38,;7.48,-1.15,;8.95,-.68,;9.85,-1.93,;8.95,-3.17,;7.48,-2.69,;6.15,-3.47,;.82,-3.47,;-.52,-2.69,;-.52,-1.15,;-1.85,-.38,;-1.85,1.15,;-3.19,-1.15,;-4.52,-.38,;-4.52,1.15,;-5.85,1.93,;-7.19,1.15,;-7.19,-.38,;-5.85,-1.15,;-8.52,1.93,;-9.85,1.15,;-7.19,2.69,;-8.52,3.47,)|
CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(2.15,3.47,;2.15,1.93,;3.48,1.15,;.82,1.15,;.82,-.38,;2.15,-1.15,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;6.15,-3.47,;7.48,-2.69,;8.95,-3.17,;9.85,-1.93,;8.95,-.68,;7.48,-1.15,;6.15,-.38,;4.82,-1.15,;3.48,-.39,;.82,-3.47,;-.52,-2.69,;-.52,-1.15,;-1.85,-.38,;-1.85,1.15,;-3.19,-1.15,;-4.52,-.38,;-4.52,1.15,;-5.85,1.93,;-7.19,1.15,;-7.19,-.38,;-5.85,-1.15,;-8.52,1.93,;-9.85,1.15,;-7.19,2.69,;-8.52,3.47,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCC(CC1)C(C)(C)O |r,wU:4.4,(-9.19,-2.31,;-7.85,-1.54,;-6.52,-.77,;-7.85,,;-6.52,-2.31,;-6.52,-3.85,;-5.19,-1.54,;-3.85,-2.31,;-2.52,-1.54,;-2.52,,;-1.18,-2.31,;-1.18,-3.85,;.15,-4.62,;1.48,-3.85,;2.82,-4.62,;4.15,-3.85,;5.48,-4.62,;6.82,-3.85,;8.28,-4.33,;9.19,-3.08,;8.28,-1.83,;6.82,-2.31,;5.48,-1.54,;4.15,-2.31,;2.82,-1.54,;1.48,-2.31,;.15,-1.54,;.15,,;1.48,.77,;2.82,,;4.15,.77,;4.15,2.31,;2.82,3.08,;1.48,2.31,;5.48,3.08,;6.82,2.31,;5.48,4.62,;6.82,3.85,)|
CC(CO)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCCC1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCCC1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCCC1O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1N[C@H]1CCC[C@@H]1O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CC1 |r|
CCNc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCOCC1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCCOC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1N[C@@H]1CCCC1F |r|
CC(C)Nc1cc(Nc2cc3ccnn3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCCCC1F |r|
CC(C)Nc1cc(Nc2ccc3cc(ccc3n2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CC2CC2C1(F)F |r|
Cc1cn2nccc2nc1Nc1cc(NC2CCOCC2)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NCC(F)(F)C(C)(C)O
C[C@@H](CO)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,25.27,wD:28.31,(1.31,4.52,;.91,3.03,;2,1.94,;3.49,2.34,;-.57,2.63,;-.97,1.14,;.12,.05,;-.28,-1.43,;.81,-2.52,;2.29,-2.12,;3.32,-3.27,;4.83,-2.95,;6.08,-3.85,;7.32,-2.95,;6.85,-1.48,;5.31,-1.48,;4.28,-.34,;2.77,-.66,;1.68,.43,;-1.77,-1.83,;-2.86,-.74,;-2.46,.74,;-3.55,1.83,;-3.15,3.32,;-5.04,1.43,;-5.44,-.05,;-4.35,-1.14,;-4.75,-2.63,;-6.23,-3.03,;-6.63,-4.52,;-7.32,-1.94,;-6.92,-.45,)|
O[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(NC2=NC3SC=NC3C=C2F)cc1NC1CC1 |r,wU:4.7,wD:1.0,c:20,24,t:16,(-9.19,2.03,;-7.85,1.26,;-7.85,-.28,;-6.52,-1.05,;-5.19,-.28,;-5.19,1.26,;-6.52,2.03,;-3.85,-1.05,;-2.52,-.28,;-2.52,1.26,;-1.18,-1.05,;-1.18,-2.59,;.15,-3.36,;1.48,-2.59,;2.82,-3.36,;4.15,-2.59,;5.48,-3.36,;6.82,-2.59,;8.28,-3.07,;9.19,-1.82,;8.28,-.58,;6.82,-1.05,;5.48,-.28,;4.15,-1.05,;2.82,-.28,;1.48,-1.05,;.15,-.28,;.15,1.26,;1.48,2.03,;3.02,2.03,;2.25,3.36,)|
CC(C)(F)CNc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(.82,3.47,;2.15,2.69,;2.15,4.23,;3.48,3.47,;2.15,1.15,;.82,.38,;.82,-1.15,;2.15,-1.93,;2.15,-3.47,;3.48,-4.23,;4.82,-3.47,;6.15,-4.23,;7.48,-3.47,;8.95,-3.94,;9.85,-2.69,;8.95,-1.45,;7.48,-1.93,;6.15,-1.15,;4.82,-1.93,;3.48,-1.15,;.82,-4.23,;-.52,-3.47,;-.52,-1.93,;-1.85,-1.15,;-1.85,.38,;-3.19,-1.93,;-4.52,-1.15,;-4.52,.38,;-5.85,1.15,;-7.19,.38,;-7.19,-1.15,;-5.85,-1.92,;-8.52,1.16,;-9.85,.39,;-8.52,2.7,;-9.85,1.93,)|
CC(C)Nc1cc(Nc2cc3ccnn3cc2C)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1N[C@H]1CCC[C@H]1F |r|
CC(C)(F)CNc1cc(Nc2ncc3ncsc3c2F)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(.82,4.23,;2.15,3.47,;2.15,5,;3.48,4.23,;2.15,1.93,;.82,1.15,;.82,-.38,;2.15,-1.15,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;4.82,-1.15,;6.15,-.38,;7.48,-1.15,;8.95,-.68,;9.85,-1.93,;8.95,-3.17,;7.48,-2.69,;6.15,-3.47,;6.15,-5,;.82,-3.47,;-.52,-2.69,;-.52,-1.15,;-1.85,-.38,;-1.85,1.15,;-3.19,-1.15,;-4.52,-.38,;-4.52,1.15,;-5.85,1.93,;-7.19,1.15,;-7.19,-.38,;-5.85,-1.15,;-8.52,1.93,;-9.85,1.16,;-8.52,3.47,;-9.85,2.7,)|
CC(C)(O)C1CCC(CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCOC1 |(-9.85,.77,;-8.52,1.54,;-8.52,3.08,;-9.85,2.31,;-7.19,.77,;-5.85,1.54,;-4.52,.77,;-4.52,-.77,;-5.85,-1.54,;-7.19,-.77,;-3.19,-1.54,;-1.85,-.77,;-1.85,.77,;-.52,-1.54,;-.52,-3.08,;.82,-3.85,;2.15,-3.08,;3.48,-3.85,;4.82,-3.08,;4.82,-1.54,;6.15,-.77,;7.48,-1.54,;8.95,-1.06,;9.85,-2.31,;8.95,-3.56,;7.48,-3.08,;6.15,-3.85,;2.15,-1.54,;.82,-.77,;.82,.77,;2.15,1.54,;2.15,3.08,;3.48,3.85,;4.82,3.08,;4.82,1.54,;3.48,.77,)|
CCNc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(2.15,3.46,;2.15,1.92,;.82,1.15,;.82,-.39,;2.15,-1.16,;2.15,-2.7,;3.48,-3.47,;4.82,-2.7,;6.15,-3.47,;7.48,-2.7,;8.95,-3.17,;9.85,-1.93,;8.95,-.68,;7.48,-1.16,;6.15,-.38,;4.82,-1.16,;3.48,-.39,;.82,-3.47,;-.52,-2.7,;-.52,-1.16,;-1.85,-.39,;-1.85,1.15,;-3.19,-1.16,;-4.52,-.39,;-4.52,1.15,;-5.85,1.92,;-7.19,1.15,;-7.19,-.39,;-5.85,-1.15,;-8.52,1.93,;-9.85,1.16,;-8.52,3.47,;-9.85,2.7,)|
CC(C)(O)C(F)(F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CC1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCc2[nH]ncc2C1
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc3ccc(F)cc3n2)cc1NC1CCOCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCCCC1(F)F |r|
CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O
CC(C)Nc1cc(Nc2nc3cccnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cc3nccnc3cc2F)cc1NC1CCC1 |r|
CC(C)Nc1cc(Nc2cc3nccnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(CCF)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)C1CCC(CC1)NC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CC1 |(-9.85,1.16,;-8.52,1.93,;-8.52,3.47,;-9.85,2.7,;-7.19,1.15,;-5.85,1.92,;-4.52,1.15,;-4.52,-.39,;-5.85,-1.15,;-7.19,-.39,;-3.19,-1.16,;-1.85,-.39,;-1.85,1.15,;-.52,-1.16,;-.52,-2.7,;.82,-3.47,;2.15,-2.7,;3.48,-3.47,;4.82,-2.7,;6.15,-3.47,;7.48,-2.7,;8.95,-3.17,;9.85,-1.93,;8.95,-.68,;7.48,-1.16,;6.15,-.38,;4.82,-1.16,;3.48,-.39,;2.15,-1.16,;.82,-.39,;.82,1.15,;2.15,1.92,;3.69,1.92,;2.92,3.26,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCC1 |r,wU:4.3,wD:7.10,(-10.52,1.93,;-9.19,1.16,;-7.85,1.93,;-7.85,3.47,;-6.52,1.15,;-5.19,1.92,;-3.85,1.15,;-3.85,-.39,;-5.19,-1.15,;-6.52,-.39,;-2.52,-1.16,;-1.18,-.39,;-1.18,1.15,;.15,-1.16,;.15,-2.7,;1.48,-3.47,;2.82,-2.7,;4.15,-3.47,;5.48,-2.7,;5.48,-1.16,;6.82,-.38,;8.15,-1.16,;9.62,-.68,;10.52,-1.93,;9.62,-3.17,;8.15,-2.7,;6.82,-3.47,;2.82,-1.16,;1.48,-.39,;1.48,1.15,;2.82,1.92,;4.3,1.53,;4.7,3.01,;3.21,3.41,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCOC[C@@H]1F |r,wU:4.3,35.40,wD:7.10,30.33,(-10.52,1.54,;-9.19,.77,;-7.85,1.54,;-7.85,3.08,;-6.52,.77,;-5.19,1.54,;-3.85,.77,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-2.52,-1.54,;-1.18,-.77,;-1.18,.77,;.15,-1.54,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;5.48,-1.54,;6.82,-.77,;8.15,-1.54,;9.62,-1.06,;10.52,-2.31,;9.62,-3.56,;8.15,-3.08,;6.82,-3.85,;2.82,-1.54,;1.48,-.77,;1.48,.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;4.15,3.85,;2.82,3.08,;1.48,3.85,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC(F)(F)F |r,wU:4.3,wD:7.10,(-10.52,1.93,;-9.19,1.16,;-7.85,1.93,;-7.85,3.47,;-6.52,1.15,;-5.19,1.92,;-3.85,1.15,;-3.85,-.39,;-5.19,-1.15,;-6.52,-.39,;-2.52,-1.16,;-1.18,-.39,;-1.18,1.15,;.15,-1.16,;.15,-2.7,;1.48,-3.47,;2.82,-2.7,;4.15,-3.47,;5.48,-2.7,;5.48,-1.16,;6.82,-.38,;8.15,-1.16,;9.62,-.68,;10.52,-1.93,;9.62,-3.17,;8.15,-2.7,;6.82,-3.47,;2.82,-1.16,;1.48,-.39,;1.48,1.15,;2.82,1.92,;4.15,1.15,;3.38,-.18,;4.92,2.49,;5.48,.38,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2cnc3[nH]ccc3c2)cc1NC(C)C |r,wU:4.3,wD:7.10,(-10.52,1.93,;-9.19,1.16,;-7.85,1.93,;-7.85,3.47,;-6.52,1.15,;-5.19,1.92,;-3.85,1.15,;-3.85,-.39,;-5.19,-1.15,;-6.52,-.39,;-2.52,-1.16,;-1.18,-.39,;-1.18,1.15,;.15,-1.16,;.15,-2.7,;1.48,-3.47,;2.82,-2.7,;4.15,-3.47,;5.48,-2.7,;5.48,-1.16,;6.82,-.38,;8.15,-1.16,;9.62,-.68,;10.52,-1.93,;9.62,-3.17,;8.15,-2.7,;6.82,-3.47,;2.82,-1.16,;1.48,-.39,;1.48,1.15,;2.82,1.92,;2.42,3.41,;4.3,1.53,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CC1 |r,wU:4.3,wD:7.10,(-10.52,1.93,;-9.19,1.16,;-7.85,1.93,;-7.85,3.47,;-6.52,1.15,;-5.19,1.92,;-3.85,1.15,;-3.85,-.39,;-5.19,-1.15,;-6.52,-.39,;-2.52,-1.16,;-1.18,-.39,;-1.18,1.15,;.15,-1.16,;.15,-2.7,;1.48,-3.47,;2.82,-2.7,;4.15,-3.47,;5.48,-2.7,;6.82,-3.47,;8.15,-2.7,;9.62,-3.17,;10.52,-1.93,;9.62,-.68,;8.15,-1.16,;6.82,-.38,;5.48,-1.16,;4.15,-.39,;2.82,-1.16,;1.48,-.39,;1.48,1.15,;2.82,1.92,;4.36,1.92,;3.59,3.26,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCOCC1 |r,wU:4.3,wD:7.10,(-10.52,1.54,;-9.19,.77,;-7.85,1.54,;-7.85,3.08,;-6.52,.77,;-5.19,1.54,;-3.85,.77,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-2.52,-1.54,;-1.18,-.77,;-1.18,.77,;.15,-1.54,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;6.82,-3.85,;8.15,-3.08,;9.62,-3.56,;10.52,-2.31,;9.62,-1.06,;8.15,-1.54,;6.82,-.77,;5.48,-1.54,;4.15,-.77,;2.82,-1.54,;1.48,-.77,;1.48,.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;4.15,3.85,;2.82,3.08,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1 |r,wU:4.3,wD:7.10,(22.85,-1.69,;24.18,-2.47,;25.52,-1.7,;25.52,-.16,;26.85,-2.47,;28.19,-1.71,;29.51,-2.48,;29.51,-4.03,;28.18,-4.79,;26.85,-4.02,;30.84,-4.8,;32.18,-4.03,;32.18,-2.49,;33.51,-4.8,;33.51,-6.34,;34.84,-7.11,;36.18,-6.34,;37.51,-7.11,;38.85,-6.34,;38.84,-4.8,;40.16,-4.03,;41.5,-4.79,;42.97,-4.31,;43.88,-5.56,;42.98,-6.81,;41.5,-6.34,;40.18,-7.11,;36.17,-4.79,;34.84,-4.03,;34.83,-2.49,;36.17,-1.71,;37.51,-2.49,;38.83,-1.72,;38.84,-.18,;37.5,.59,;36.16,-.18,)|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCOC[C@@H]1F |r,wU:4.3,35.40,wD:7.10,30.33,(-10.52,1.54,;-9.19,.77,;-9.19,-.77,;-7.85,1.54,;-6.52,.77,;-5.19,1.54,;-3.85,.77,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-2.52,-1.54,;-1.18,-.77,;-1.18,.77,;.15,-1.54,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;5.48,-1.54,;6.82,-.77,;8.15,-1.54,;9.62,-1.06,;10.52,-2.31,;9.62,-3.56,;8.15,-3.08,;6.82,-3.85,;2.82,-1.54,;1.48,-.77,;1.48,.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;4.15,3.85,;2.82,3.08,;1.48,3.85,)|
CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O |r,wU:27.33,wD:24.26,(2.82,3.47,;2.82,1.93,;4.15,1.15,;1.48,1.15,;1.48,-.38,;2.82,-1.15,;2.82,-2.69,;4.15,-3.47,;5.48,-2.69,;6.82,-3.47,;8.15,-2.69,;9.62,-3.17,;10.52,-1.93,;9.62,-.68,;8.15,-1.15,;6.82,-.38,;5.48,-1.15,;4.15,-.38,;1.48,-3.47,;.15,-2.69,;.15,-1.15,;-1.18,-.38,;-1.18,1.15,;-2.52,-1.15,;-3.85,-.38,;-3.85,1.15,;-5.19,1.93,;-6.52,1.15,;-6.52,-.38,;-5.19,-1.15,;-7.85,1.93,;-9.19,1.16,;-10.52,1.93,;-9.19,-.38,)|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCOCC1 |r,wU:4.3,wD:7.10,(-10.52,1.54,;-9.19,.77,;-9.19,-.77,;-7.85,1.54,;-6.52,.77,;-5.19,1.54,;-3.85,.77,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-2.52,-1.54,;-1.18,-.77,;-1.18,.77,;.15,-1.54,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;6.82,-3.85,;8.15,-3.08,;9.62,-3.56,;10.52,-2.31,;9.62,-1.06,;8.15,-1.54,;6.82,-.77,;5.48,-1.54,;4.15,-.77,;2.82,-1.54,;1.48,-.77,;1.48,.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;4.15,3.85,;2.82,3.08,)|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1 |r,wU:4.3,wD:7.10,(-10.52,1.54,;-9.19,.77,;-9.19,-.77,;-7.85,1.54,;-6.52,.77,;-5.19,1.54,;-3.85,.77,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-2.52,-1.54,;-1.18,-.77,;-1.18,.77,;.15,-1.54,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;5.48,-1.54,;6.82,-.77,;8.15,-1.54,;9.62,-1.06,;10.52,-2.31,;9.62,-3.56,;8.15,-3.08,;6.82,-3.85,;2.82,-1.54,;1.48,-.77,;1.48,.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;4.15,3.85,;2.82,3.08,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cc3scnc3cc2F)cc1NCC(F)(F)F |r|
CCNc1cc(Nc2cc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cc3scnc3cc2F)cc1NC1CCCOC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NCC(F)(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cc3scnc3cc2F)cc1NC1CCOCC1 |r|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCc2nc(N)sc2C1
CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NCC(F)(F)C(C)(C)O
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)[N+]([O-])=O |r,wU:23.25,wD:26.32,(3.48,1.15,;2.15,1.93,;2.15,3.47,;.82,1.15,;.82,-.38,;2.15,-1.15,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;4.82,-1.15,;6.15,-.38,;7.48,-1.15,;8.95,-.68,;9.85,-1.93,;8.95,-3.17,;7.48,-2.69,;6.15,-3.47,;.82,-3.47,;-.52,-2.69,;-.52,-1.15,;-1.85,-.38,;-1.85,1.15,;-3.19,-1.15,;-4.52,-.38,;-5.85,-1.15,;-7.19,-.38,;-7.23,1.18,;-5.85,1.93,;-4.52,1.15,;-8.57,1.95,;-8.57,3.49,;-9.9,1.18,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCC(O)(CC1)c1ccnn1C |(4,.92,;2.67,1.69,;2.67,3.23,;1.33,.92,;1.33,-.62,;2.67,-1.39,;2.67,-2.93,;4,-3.7,;5.33,-2.93,;5.33,-1.39,;6.67,-.62,;8,-1.39,;9.47,-.92,;10.37,-2.16,;9.47,-3.41,;8,-2.93,;6.67,-3.7,;1.33,-3.7,;,-2.93,;,-1.39,;-1.33,-.62,;-1.33,.92,;-2.67,-1.39,;-4,-.62,;-5.33,-1.39,;-6.67,-.62,;-6.67,.92,;-6.67,2.46,;-5.33,1.69,;-4,.92,;-8,1.69,;-8,3.23,;-9.47,3.7,;-10.37,2.46,;-9.47,1.21,;-10.24,-.12,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCC2(CC1)NC(=O)NC2=O |(2.97,.16,;1.63,.93,;1.63,2.47,;.3,.16,;.3,-1.38,;1.63,-2.15,;1.63,-3.69,;2.97,-4.46,;4.3,-3.69,;4.3,-2.15,;5.63,-1.38,;6.97,-2.15,;8.43,-1.68,;9.34,-2.92,;8.43,-4.17,;6.97,-3.69,;5.63,-4.46,;.3,-4.46,;-1.03,-3.69,;-1.03,-2.15,;-2.37,-1.38,;-2.37,.16,;-3.7,-2.15,;-4.79,-1.06,;-6.28,-1.46,;-7.37,-.37,;-6.97,1.11,;-5.48,1.51,;-4.39,.42,;-6.97,2.65,;-8.43,3.13,;-9.2,4.46,;-9.34,1.88,;-8.43,.64,;-9.2,-.7,)|
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCC(=O)CC1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCc2nnnn2CC1 |w:22.25|
O=C1Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
O=C1Nc2nc3ccccc3n2CCc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
CN(C)C(=O)Cc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3Cc3cccc(c3)-c1n2
CN(C)C(=O)Cc1ccc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cccc(Cn3c2c1)c5)c4
COc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cccc(Cn3c2cc1OC)c5)c4
Fc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cccc(Cn3c2cc1F)c5)c4
O=C1Nc2nc3ccccc3n2Cc2cncc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
Cc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
O=C1Nc2nc3ccccc3n2CCOc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
Fc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3CCc3cccc(c3)-c1n2
Oc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
Clc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
O=C1Nc2nc3ccccc3n2CCn2cc(cn2)-c2ccc(=O)n(Cc3cccc1c3)n2
COc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
O=C1Nc2nc3ccccc3n2Cc2cc(ccn2)-c2ccc(=O)n(Cc3cccc1c3)n2
OC1Cn2c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc1c4)c3)nc1ccccc21
OC1CCOc2ccc(=O)n(Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3C1)n2
COc1ccc-2cc1Cn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
Oc1ccc-2cc1Cn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
OC(=O)c1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
COc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cnn(CCn3c2cc1OC)c5)c4
NCCc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
CC1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2
CC(=O)NCCc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3CCn3cc(cn3)-c1n2
O=C1Nc2nc3cc(CN4CCOCC4)ccc3n2Cc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
Cc1nn2CCn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2C)c4)nc1ccccc31
COc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3CC(O)CCOc1n2
Oc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
O[C@H]1Cn2c(NC(=O)c3cccc(Cn4nc(ccc4=O)N4CCC[C@@H]1C4)c3)nc1ccccc21 |r|
O[C@H]1Cn2c(NC(=O)c3cccc(Cn4nc(ccc4=O)N4CCC[C@H]1C4)c3)nc1ccccc21 |r|
COc1ccc2n3CCn4cc(cn4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
O=C1Nc2nc3ccccc3n2C\C=C/COc2ccc(=O)n(Cc3cccc1c3)n2 |c:15|
COc1ccc2n3CC(O)CCOc4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
CC[C@H]1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2 |r|
CC[C@@H]1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2 |r|
COc1ccc-2cc1CCn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
Oc1ccc-2cc1CCn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@@H]3CN[C@@H](C3)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@H]3CN[C@H](C3)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4O)nn23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nn23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CC3CCC2CN3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCNCC3(CC3)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCCNCC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCC[C@@H](N)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCC[C@@H](N)C2)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCNCC2)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCCNCC2)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CC3CCC2CN3)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCNCC3(CC3)C2)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4O)nn23)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCCNCC2)c(Br)n1
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Br)n1
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCCNCC2)c(Cl)n1
Cn1cc(NC(=O)c2ccc3ccc(NC4CCCCNC4)nn23)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CC3CCC2CN3)c(Cl)n1
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CC3CCC2CN3)c(Br)n1
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nn23)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCCNCC2)c(n1)C#N
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CC3CCC2CN3)c(n1)C#N
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nn23)c(Br)n1
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@@H]3CC[C@H]2CN3)c(Cl)n1
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@H]3CC[C@@H]2CN3)c(Cl)n1
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@@H]3CC[C@H]2CN3)c(Br)n1
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@H]3CC[C@@H]2CN3)c(Br)n1
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@@H]3CC[C@H]2CN3)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@H]4CCCCNC4)nn23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@H]4CCCCNC4)nn23)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@@H]3CC[C@H]2CN3)c(n1)C#N
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C#N
Cn1ncc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c1C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CC3CCC(C2)N3)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CC3CCC(C2)N3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nn23)c(Cl)n1
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@@H]3C[C@H](C2)N3)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nn23)c(n1)C#N
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4O)nn23)c(Cl)n1
CC(C)(C)n1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4O)nn23)c(n1)C(F)F
CC(C)n1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4O)nn23)c(n1)C(F)F
FC(F)c1cscc1NC(=O)c1ccc2ccc(nn12)N1CC2CCC1CN2
Brc1ccccc1NC(=O)c1ccc2ccc(nn12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccccc3Br)n2n1
Clc1ccccc1NC(=O)c1ccc2ccc(nn12)N1CCCNCC1
Brc1cscc1NC(=O)c1ccc2ccc(nn12)N1CCCNCC1
Brc1ccccc1NC(=O)c1ccc2ccc(nn12)N1CC2CCC1CN2
Brc1cscc1NC(=O)c1ccc2ccc(nn12)N1CC2CCC1CN2
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3cscc3Br)n2n1
Clc1ccccc1NC(=O)c1ccc2ccc(nn12)N1CC2CCC1CN2
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccccc3Cl)n2n1
Clc1sccc1NC(=O)c1ccc2ccc(nn12)N1CCCNCC1
O=C(Nc1ccsc1C#N)c1ccc2ccc(nn12)N1CCCNCC1
O=C(Nc1cscc1C#N)c1ccc2ccc(nn12)N1CCCNCC1
FC(F)c1cscc1NC(=O)c1ccc2ccc(nn12)N1CCCNCC1
Clc1sccc1NC(=O)c1ccc2ccc(nn12)N1CC2CCC1CN2
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccsc3Cl)n2n1
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3cscc3C(F)F)n2n1
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3cscc3C#N)n2n1
O=C(Nc1cscc1C#N)c1ccc2ccc(nn12)N1CC2CCC1CN2
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccsc3C#N)n2n1
Brc1sccc1NC(=O)c1ccc2ccc(nn12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccsc3Br)n2n1
Brc1sccc1NC(=O)c1ccc2ccc(nn12)N1C[C@@H]2CC[C@H]1CN2
Brc1sccc1NC(=O)c1ccc2ccc(nn12)N1C[C@H]2CC[C@@H]1CN2
O=C(Nc1ccsc1C#N)c1ccc2ccc(nn12)N1C[C@@H]2CC[C@H]1CN2
O=C(Nc1ccsc1C#N)c1ccc2ccc(nn12)N1C[C@H]2CC[C@@H]1CN2
Clc1cscc1NC(=O)c1ccc2ccc(nn12)N1CCCNCC1
Clc1cscc1NC(=O)c1ccc2ccc(nn12)N1C[C@@H]2CC[C@H]1CN2
Clc1cscc1NC(=O)c1ccc2ccc(nn12)N1C[C@H]2CC[C@@H]1CN2
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3cscc3Cl)n2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3ccsc3Br)n2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3cscc3Cl)n2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3cscc3Br)n2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3cscc3C#N)n2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3ccsc3Cl)n2n1
O[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccsc3Cl)n2n1 |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3ccccc3Cl)n2n1
O[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccccc3Cl)n2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3ccccc3Br)n2n1
O[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccccc3Br)n2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3cscc3C(F)F)n2n1
O[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccsc3C#N)n2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3ccsc3C#N)n2n1
O=C(Nc1ccccc1C#N)c1ccc2ccc(nn12)N1CCNCC1
O=C(Nc1ccccc1C#N)c1ccc2ccc(nn12)N1CC2CCC1CN2
O=C(Nc1ccccc1C#N)c1ccc2ccc(nn12)N1CCNCC2(CC2)C1
O[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccccc3C#N)n2n1
O=C(Nc1ccccc1C#N)c1ccc2ccc(N[C@@H]3CCCNC3)nn12
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccccc3C#N)n2n1
N[C@@H]1CCCN(C1)c1ccc2ccc(C(=O)Nc3ccccc3C#N)n2n1
O=C(Nc1ccccc1C#N)c1ccc2ccc(N[C@@H]3CCCCNC3)nn12
O=C(Nc1ccccc1C#N)c1ccc2ccc(N[C@H]3CCCCNC3)nn12
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3ccccc3C#N)n2n1
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccccc3C(F)F)n2n1
FC(F)(F)c1sccc1NC(=O)c1ccc2ccc(nn12)N1C[C@@H]2CC[C@H]1CN2
FC(F)(F)c1sccc1NC(=O)c1ccc2ccc(nn12)N1C[C@H]2CC[C@@H]1CN2
FC(F)(F)c1sccc1NC(=O)c1ccc2ccc(nn12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccsc3C(F)(F)F)n2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3ccsc3C(F)(F)F)n2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3ccccc3C(F)F)n2n1
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C3CCC2CNC3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@H]3C[C@@H]2CNC3)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@@H]3C[C@H]2CNC3)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@H]3C[C@@H]2CNC3)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@@H]3C[C@H]2CNC3)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCNCC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4O)nc23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CC3CCC2CN3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4O)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CC3CCC2CN3)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCNCC2)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(NC4CCCCNC4)nc23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@@H]3CC[C@H]2CN3)c(Cl)n1
Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(Cl)n1
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(Cl)n1
Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@@H]3CC[C@H]2CN3)c(Br)n1
Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(Br)n1
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(Br)n1
Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@@H]3CC[C@H]2CN3)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@@H]3CC[C@H]2CN3)c(n1)C#N
Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C#N
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(n1)C#N
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(Br)n1
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Br)n1
Cn1cc(NC(=O)c2csc3ncc(N[C@H]4CCCCNC4)nc23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(N[C@H]4CCCCNC4)nc23)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C#N
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CC3CCC(C2)N3)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2CC3CCC(C2)N3)c(n1)C(F)(F)F
Cn4ncc(NC(=O)c2csc3ncc(N[C@@H]1CCCC[C@@H]1N)nc23)c4C(F)(F)F
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(Cl)n1
Cn1cc(NC(=O)c2csc3ncc(nc23)N2C3CCC2CNC3)c(n1)C(F)F
Cn1cc(NC(=O)c2csc3ncc(nc23)N2C3CCC2CNC3)c(n1)C(F)(F)F
Brc1cscc1NC(=O)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2 |r|
FC(F)c1cscc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
Brc1cscc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
Brc1cscc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3C(F)F)c2n1
Brc1sccc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
Clc1sccc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3Br)c2n1
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3Br)c2n1
O=C(Nc1cscc1C#N)c1csc2ncc(nc12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3Cl)c2n1
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3C#N)c2n1
FC(F)c1cscc1NC(=O)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2
FC(F)c1cscc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3ccsc3Cl)c2n1
Clc1sccc1NC(=O)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2
Clc1sccc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
Brc1sccc1NC(=O)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2
Brc1sccc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
O=C(Nc1cscc1C#N)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2
O=C(Nc1cscc1C#N)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3cscc3C(F)F)c2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3cscc3Br)c2n1
O=C(Nc1ccsc1C#N)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2
O=C(Nc1ccsc1C#N)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3ccsc3Br)c2n1
O=C(Nc1ccsc1C#N)c1csc2ncc(nc12)N1CCCNCC1
FC(F)(F)c1sccc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
FC(F)(F)c1sccc1NC(=O)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2
FC(F)(F)c1sccc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3C(F)(F)F)c2n1
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3C#N)c2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3ccsc3C#N)c2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3cscc3C#N)c2n1
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3C(F)(F)F)c2n1
Brc1ccccc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
O=C(Nc1ccccc1C#N)c1csc2ncc(nc12)N1CCNCC2(CC2)C1
N[C@@H]1CCCN(C1)c1cnc2scc(C(=O)Nc3ccccc3C#N)c2n1
O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@@H]3CCCNC3)nc12
O=C(Nc1ccccc1C#N)c1csc2ncc(nc12)N1CCNCC1
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3Br)c2n1
Brc1ccccc1NC(=O)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2
Brc1ccccc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
FC(F)(F)c1ccccc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
Clc1ccccc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3Cl)c2n1
O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@H]3CCCCNC3)nc12
O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@@H]3CCCCNC3)nc12
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3C#N)c2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3ccccc3Br)c2n1 |r|
O=C(Nc1ccccc1C#N)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2
O=C(Nc1ccccc1C#N)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
Clc1ccccc1NC(=O)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2
Clc1ccccc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3ccccc3Cl)c2n1
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3C(F)F)c2n1
FC(F)c1ccccc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
FC(F)c1ccccc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3ccccc3C#N)c2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3ccccc3C(F)F)c2n1
Clc1cscc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
Clc1cscc1NC(=O)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2
Clc1cscc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2
N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3Cl)c2n1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3cscc3Cl)c2n1
CNC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1N[C@H]([C@H](O)CO)c1ccccc1
CC(C)Nc1cc(Nc2ccc(cn2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1NCC(F)(F)F |r|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1NC(C)C |r,wU:4.3,wD:7.10,(-10.67,1.93,;-9.34,1.15,;-8,1.93,;-8,3.47,;-6.67,1.15,;-5.33,1.93,;-4,1.15,;-4,-.38,;-5.33,-1.15,;-6.67,-.38,;-2.67,-1.15,;-1.33,-.38,;-1.33,1.15,;,-1.15,;,-2.69,;1.33,-3.47,;2.67,-2.69,;4,-3.47,;5.33,-2.69,;5.33,-1.15,;6.67,-.38,;8,-1.15,;8,-2.69,;6.67,-3.47,;9.34,-.38,;10.67,-1.15,;2.67,-1.15,;1.33,-.38,;1.33,1.15,;2.67,1.93,;2.67,3.47,;4,1.16,)|
CC(C)Nc1cc(Nc2ccc(cn2)C#N)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1CC1 |r,wU:25.30,wD:22.23,(3.44,3.47,;3.44,1.93,;4.77,1.16,;2.1,1.15,;2.1,-.38,;3.44,-1.15,;3.44,-2.69,;4.77,-3.47,;6.1,-2.69,;6.1,-1.15,;7.44,-.38,;8.77,-1.15,;8.77,-2.69,;7.44,-3.47,;10.11,-.38,;11.44,-1.15,;2.1,-3.47,;.77,-2.69,;.77,-1.15,;-.56,-.38,;-.56,1.15,;-1.9,-1.15,;-3.23,-.38,;-3.23,1.15,;-4.56,1.93,;-5.9,1.15,;-5.9,-.38,;-4.56,-1.15,;-7.23,1.93,;-7.23,3.47,;-8.57,1.15,;-9.9,1.93,;-10.67,3.26,;-11.44,1.93,)|
CC(C)Nc1cc(Nc2ccc(cn2)C#N)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)N[C@H]1C[C@H]1F |r,wU:25.30,wD:22.23,31.33,33.37,(4.1,3.47,;4.1,1.93,;5.44,1.16,;2.77,1.15,;2.77,-.38,;4.1,-1.15,;4.1,-2.69,;5.44,-3.47,;6.77,-2.69,;6.77,-1.15,;8.11,-.38,;9.44,-1.15,;9.44,-2.69,;8.11,-3.47,;10.77,-.38,;12.11,-1.15,;2.77,-3.47,;1.44,-2.69,;1.44,-1.15,;.1,-.38,;.1,1.15,;-1.23,-1.15,;-2.56,-.38,;-2.56,1.15,;-3.9,1.93,;-5.23,1.15,;-5.23,-.38,;-3.9,-1.15,;-6.57,1.93,;-6.57,3.47,;-7.9,1.15,;-9.23,1.93,;-10,3.26,;-10.77,1.93,;-12.11,1.15,)|
CC(C)Nc1cc(Nc2ccc(cn2)C#N)ncc1C(=O)NC1CCN(CC1)C(C)=O
CC(C)Nc1cc(Nc2ccc(cn2)C#N)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O |r,wU:25.30,wD:22.23,(2.67,3.47,;2.67,1.93,;4,1.16,;1.33,1.15,;1.33,-.38,;2.67,-1.15,;2.67,-2.69,;4,-3.47,;5.33,-2.69,;5.33,-1.15,;6.67,-.38,;8.05,-1.13,;8,-2.69,;6.67,-3.47,;9.38,-.36,;10.72,.41,;1.33,-3.47,;,-2.69,;,-1.15,;-1.33,-.38,;-1.33,1.15,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,1.93,;-6.67,1.15,;-6.67,-.38,;-5.33,-1.15,;-8,1.93,;-9.34,1.15,;-10.67,1.93,;-9.34,-.38,)|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1NC1CCC1 |r,wU:4.3,wD:7.10,(-10.67,1.95,;-9.34,1.18,;-9.34,-.36,;-8,1.95,;-6.67,1.18,;-5.33,1.95,;-4,1.18,;-4,-.36,;-5.33,-1.13,;-6.67,-.36,;-2.67,-1.13,;-1.33,-.36,;-1.33,1.18,;,-1.13,;,-2.67,;1.33,-3.44,;2.67,-2.67,;4,-3.44,;5.33,-2.67,;5.33,-1.13,;6.67,-.36,;8.05,-1.1,;8,-2.67,;6.67,-3.44,;9.38,-.33,;10.72,.44,;2.67,-1.13,;1.33,-.36,;1.33,1.18,;2.67,1.95,;4.15,1.55,;4.55,3.04,;3.07,3.44,)|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1NC1CCOCC1F |r,wU:4.3,wD:7.10,(-10.67,1.54,;-9.34,.77,;-9.34,-.77,;-8,1.54,;-6.67,.77,;-5.33,1.54,;-4,.77,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,;8.05,-1.51,;8,-3.08,;6.67,-3.85,;9.38,-.74,;10.72,.03,;2.67,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.34,1.54,;5.34,3.08,;4,3.85,;2.67,3.08,;1.33,3.85,)|
CC(C)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCOCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CC1 |r|
CC(C)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O |r,wU:26.31,wD:23.24,(2.67,3.47,;2.67,1.93,;4,1.16,;1.33,1.15,;1.33,-.38,;2.67,-1.15,;2.67,-2.69,;4,-3.47,;5.33,-2.69,;6.67,-3.47,;8,-2.69,;8.05,-1.13,;6.67,-.38,;5.33,-1.15,;4,-.38,;9.38,-.36,;10.72,.41,;1.33,-3.47,;,-2.69,;,-1.15,;-1.33,-.38,;-1.33,1.15,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,1.93,;-6.67,1.15,;-6.67,-.38,;-5.33,-1.15,;-8,1.93,;-9.34,1.15,;-10.67,1.93,;-9.34,-.38,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC(C)C |r,wU:4.3,wD:7.10,(-10.67,1.93,;-9.34,1.15,;-8,1.93,;-8,3.47,;-6.67,1.15,;-5.33,1.93,;-4,1.15,;-4,-.38,;-5.33,-1.15,;-6.67,-.38,;-2.67,-1.15,;-1.33,-.38,;-1.33,1.15,;,-1.15,;,-2.69,;1.33,-3.47,;2.67,-2.69,;4,-3.47,;5.33,-2.69,;6.67,-3.47,;8,-2.69,;8,-1.15,;6.67,-.38,;5.33,-1.15,;4,-.38,;9.34,-.38,;10.67,-1.15,;2.67,-1.15,;1.33,-.38,;1.33,1.15,;2.67,1.93,;2.67,3.47,;4,1.16,)|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C |r,wU:4.3,wD:7.10,(-10.67,1.93,;-9.34,1.15,;-8,1.93,;-8,3.47,;-6.67,1.15,;-5.33,1.93,;-4,1.15,;-4,-.38,;-5.33,-1.15,;-6.67,-.38,;-2.67,-1.15,;-1.33,-.38,;-1.33,1.15,;,-1.15,;,-2.69,;1.33,-3.47,;2.67,-2.69,;4,-3.47,;5.33,-2.69,;6.67,-3.47,;8,-2.69,;8,-1.15,;6.67,-.38,;5.33,-1.15,;4,-.38,;9.34,-.38,;10.67,-1.15,;2.67,-1.15,;1.33,-.38,;1.33,1.15,;2.67,1.93,;2.67,3.47,;4,1.16,)|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O |r,wU:26.31,wD:23.24,(2.67,3.47,;2.67,1.93,;4,1.16,;1.33,1.15,;1.33,-.38,;2.67,-1.15,;2.67,-2.69,;4,-3.47,;5.33,-2.69,;6.67,-3.47,;8,-2.69,;8.05,-1.13,;6.67,-.38,;5.33,-1.15,;4,-.38,;9.38,-.36,;10.72,.41,;1.33,-3.47,;,-2.69,;,-1.15,;-1.33,-.38,;-1.33,1.15,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,1.93,;-6.67,1.15,;-6.67,-.38,;-5.33,-1.15,;-8,1.93,;-9.34,1.15,;-10.67,1.93,;-9.34,-.38,)|
CC(C)Nc1cc(Nc2ccncn2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccncn2)cc1NC1CC1 |r|
CC(C)Nc1cc(Nc2ncc(cn2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2csc(n2)-c2cccnc2)cc1NC1CC1 |r|
CC(C)Nc1cc(Nc2ccnc(NC3CC3)n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
CC(C)Nc1cc(Nc2ccnc(NC3CCCOC3)n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccnc(n2)N2CCC(F)C2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc(C#N)c(n2)N2CC[C@@H](O)C2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
CC(C)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NCC[C@@H](C)NC(C)=O
CC(C)NC(=O)N[C@H](C)CCNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C
CCNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C
CC(C)Nc1cc(Nc2ccc(cn2)C#N)ncc1C(=O)NC1CCC(O)(CC1)c1ccnn1C
CS[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)N[C@H]1CC[C@@H](CC1)S(C)(=O)=O |r,wU:23.24,wD:26.31,(3.33,1.15,;2,1.93,;2,3.47,;.67,1.15,;.67,-.38,;2,-1.15,;2,-2.69,;3.33,-3.47,;4.67,-2.69,;6,-3.47,;7.34,-2.69,;7.34,-1.15,;6,-.38,;4.67,-1.15,;3.33,-.38,;8.67,-.38,;10,-1.15,;.67,-3.47,;-.67,-2.69,;-.67,-1.15,;-2,-.38,;-2,1.15,;-3.33,-1.15,;-4.67,-.38,;-6,-1.15,;-7.34,-.38,;-7.34,1.15,;-6,1.93,;-4.67,1.15,;-8.67,1.93,;-10,1.15,;-9.44,3.26,;-7.9,3.26,)|
CC(C)Nc1cc(Nc2ncc(C#N)c(NC(C)=O)n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
COC[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C
COC(C)(C)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C |r|
[2H]C([2H])([2H])OC(C)(C)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C(N)=O)cc1NC1CCC(F)C1 |r|
C[C@@H](CF)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O
CC(C)Nc1cc(Nc2ncc(C#N)c(NC(C)C)n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2nc(OC3CCNCC3)ncc2Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc(OC3CCNCC3)ncc2Cl)cc1NC1CC1 |r|
CC(C)(O)C(F)(F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CC1
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC1CCC(CC1)[C@@](C)(O)C1CC1
CC(C)Nc1cc(Nc2ccc(=O)[nH]n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(F)CNc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC1CC1 |r|
CC(C)(O)CNc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC1CCOCC1 |r|
C[C@@H](CO)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CCNc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ncncc2Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cncn2)F
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cn2)C#N)cc1N[C@H]1CCC[C@@H]1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cn2)C#N)cc1NC1CCC(F)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCC(F)C1 |r|
CCNc1cc(Nc2ncc(cn2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC1CC1 |r,wU:7.10,wD:4.3,(-10.13,3.28,;-9.05,2.19,;-7.56,2.59,;-7.16,4.08,;-6.47,1.5,;-6.87,.01,;-5.78,-1.08,;-4.29,-.68,;-3.89,.81,;-4.98,1.9,;-3.2,-1.77,;-1.87,-1,;-1.87,.54,;-.53,-1.77,;-.53,-3.31,;.8,-4.08,;2.13,-3.31,;3.47,-4.08,;4.8,-3.31,;6.13,-4.08,;7.47,-3.31,;7.47,-1.77,;6.13,-1,;4.8,-1.77,;3.47,-1,;8.8,-1,;10.13,-1.77,;2.13,-1.77,;.8,-1,;.8,.54,;2.13,1.31,;3.67,1.31,;2.9,2.65,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CC1 |r,wU:7.10,wD:4.3,(-10.13,3.28,;-9.05,2.19,;-7.56,2.59,;-7.16,4.08,;-6.47,1.5,;-6.87,.01,;-5.78,-1.08,;-4.29,-.68,;-3.89,.81,;-4.98,1.9,;-3.2,-1.77,;-1.87,-1,;-1.87,.54,;-.53,-1.77,;-.53,-3.31,;.8,-4.08,;2.13,-3.31,;3.47,-4.08,;4.8,-3.31,;6.13,-4.08,;7.47,-3.31,;7.47,-1.77,;6.13,-1,;4.8,-1.77,;3.47,-1,;8.8,-1,;10.13,-1.77,;2.13,-1.77,;.8,-1,;.8,.54,;2.13,1.31,;3.67,1.31,;2.9,2.65,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC1CCOCC1 |r,wU:7.10,wD:4.3,(-10.13,3.28,;-9.05,2.19,;-7.56,2.59,;-7.16,4.08,;-6.47,1.5,;-6.87,.01,;-5.78,-1.08,;-4.29,-.68,;-3.89,.81,;-4.98,1.9,;-3.2,-1.77,;-1.87,-1,;-1.87,.54,;-.53,-1.77,;-.53,-3.31,;.8,-4.08,;2.13,-3.31,;3.47,-4.08,;4.8,-3.31,;6.13,-4.08,;7.47,-3.31,;7.47,-1.77,;6.13,-1,;4.8,-1.77,;3.47,-1,;8.8,-1,;10.13,-1.77,;2.13,-1.77,;.8,-1,;.8,.54,;2.13,1.31,;3.47,.54,;4.8,1.31,;4.8,2.85,;3.47,3.62,;2.13,2.85,)|
CC(C)Nc1cc(Nc2ccc(C#N)c(C)n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NCC[C@@H](C)NC(C)=O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NCC(F)(F)F |r|
CCNc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CC1 |r,wU:7.10,wD:4.3,(-9.19,4.62,;-8.1,3.53,;-6.61,3.93,;-8.5,2.04,;-7.41,.96,;-7.81,-.53,;-6.72,-1.62,;-5.23,-1.22,;-4.84,.27,;-5.92,1.35,;-4.15,-2.31,;-2.81,-1.54,;-2.81,-0,;-1.48,-2.31,;-1.48,-3.85,;-.14,-4.62,;1.19,-3.85,;2.52,-4.62,;3.86,-3.85,;5.19,-4.62,;6.52,-3.85,;6.52,-2.31,;5.19,-1.54,;3.86,-2.31,;2.52,-1.54,;7.86,-1.54,;9.19,-2.31,;1.19,-2.31,;-.14,-1.54,;-.14,-0,;1.19,.77,;2.73,.77,;1.96,2.1,)|
CNC(=O)N[C@H](C)CCNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC(C)C |r|
CNC(=O)N[C@H](C)CCNC(=O)c1cnc(Nc2ncc(cn2)C#N)cc1NC(C)C |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCCC1F |r|
CCn1ncc(Nc2cc(NC(C)C)c(cn2)C(=O)NC[C@@H](F)C(C)(C)O)n1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1Nc1ncc(s1)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCCC1O |r|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCOCC1 |r,wU:7.10,wD:4.3,(-9.19,4.62,;-8.1,3.53,;-6.61,3.93,;-8.5,2.04,;-7.41,.96,;-7.81,-.53,;-6.72,-1.62,;-5.23,-1.22,;-4.84,.27,;-5.92,1.35,;-4.15,-2.31,;-2.81,-1.54,;-2.81,-0,;-1.48,-2.31,;-1.48,-3.85,;-.14,-4.62,;1.19,-3.85,;2.52,-4.62,;3.86,-3.85,;5.19,-4.62,;6.52,-3.85,;6.52,-2.31,;5.19,-1.54,;3.86,-2.31,;2.52,-1.54,;7.86,-1.54,;9.19,-2.31,;1.19,-2.31,;-.14,-1.54,;-.14,-0,;1.19,.77,;2.52,-0,;3.86,.77,;3.86,2.31,;2.52,3.08,;1.19,2.31,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCOCC1F |r|
CC(C)Nc1cc(Nc2ncc(F)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc(Cl)cn2)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC1CCC(F)C1 |r|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC1CC1 |r,wU:7.10,wD:4.3,(-9.19,4.62,;-8.1,3.53,;-6.61,3.93,;-8.5,2.04,;-7.41,.96,;-7.81,-.53,;-6.72,-1.62,;-5.23,-1.22,;-4.84,.27,;-5.92,1.35,;-4.15,-2.31,;-2.81,-1.54,;-2.81,-0,;-1.48,-2.31,;-1.48,-3.85,;-.14,-4.62,;1.19,-3.85,;2.52,-4.62,;3.86,-3.85,;5.19,-4.62,;6.52,-3.85,;6.52,-2.31,;5.19,-1.54,;3.86,-2.31,;2.52,-1.54,;7.86,-1.54,;9.19,-2.31,;1.19,-2.31,;-.14,-1.54,;-.14,-0,;1.19,.77,;2.73,.77,;1.96,2.1,)|
CC(C)Nc1cc(Nc2ncc(Cl)cc2Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ncc(cc2C)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(F)cc2F)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC12CC(C1)C2 |r|
C[C@@H](CO)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.24,wD:26.28,(-.67,5.39,;-.67,3.85,;.67,3.08,;-2,3.08,;-2,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;2,-.77,;2,.77,;3.33,1.54,;4.67,.77,;4.67,-.77,;3.33,-1.54,;3.33,-3.08,;6,1.54,;7.34,.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,.77,;-6,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-3.85,;-6,-5.39,;-7.34,-3.08,;-7.34,-1.54,)|
COC(=O)Cn1cc(Cl)c(Nc2cc(NC(C)C)c(cn2)C(=O)NC[C@@H](F)C(C)(C)O)n1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncncc2F)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncncc2Cl)cc1NC1CCOCC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncncc2Cl)cc1NC1CCCOC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC1CCCOC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCCOC1 |r|
CCC(C)Nc1cc(Nc2ncc(cn2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
C[C@H](CO)Nc1cc(Nc2ncc(F)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
C[C@@H](CO)Nc1cc(Nc2ncc(cn2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(2,3.47,;2,1.93,;3.33,1.15,;.67,1.15,;.67,-.38,;2,-1.15,;2,-2.69,;3.33,-3.47,;4.67,-2.69,;6,-3.47,;7.34,-2.69,;7.34,-1.15,;6,-.38,;4.67,-1.15,;3.33,-.38,;8.67,-.38,;10,-1.15,;.67,-3.47,;-.67,-2.69,;-.67,-1.15,;-2,-.38,;-2,1.15,;-3.33,-1.15,;-4.67,-.38,;-4.67,1.15,;-6,1.93,;-7.34,1.15,;-7.34,-.38,;-6,-1.16,;-8.67,1.93,;-10,1.15,;-7.34,2.69,;-8.67,3.47,)|
CC(C)(F)CNc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(3.33,3.49,;2,2.72,;.51,2.32,;1.6,4.21,;2,1.18,;.67,.41,;.67,-1.13,;2,-1.9,;2,-3.44,;3.33,-4.21,;4.67,-3.44,;6,-4.21,;7.34,-3.44,;7.34,-1.9,;6,-1.13,;4.67,-1.9,;3.33,-1.13,;8.67,-1.13,;10,-1.9,;.67,-4.21,;-.67,-3.44,;-.67,-1.9,;-2,-1.13,;-2,.41,;-3.33,-1.9,;-4.67,-1.13,;-4.67,.41,;-6,1.18,;-7.34,.41,;-7.34,-1.13,;-6,-1.9,;-8.67,1.18,;-9.44,-.15,;-7.9,2.51,;-10,1.95,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCCCC1O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncncc2Cl)cc1NC1CC1 |r|
CC(C)Nc1cc(Nc2ncncc2Cl)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O |r,wU:24.29,wD:21.22,(4,3.47,;4,1.93,;5.33,1.15,;2.67,1.15,;2.67,-.38,;4,-1.15,;4,-2.69,;5.33,-3.47,;6.67,-2.69,;8,-3.47,;9.34,-2.69,;9.34,-1.15,;8,-.38,;6.67,-1.15,;5.33,-.38,;2.67,-3.47,;1.33,-2.69,;1.33,-1.15,;,-.38,;,1.15,;-1.33,-1.15,;-2.67,-.38,;-2.67,1.15,;-4,1.93,;-5.33,1.15,;-5.33,-.38,;-4,-1.15,;-6.67,1.93,;-8,1.15,;-9.34,1.93,;-8,-.38,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cn2)C#N)cc1N[C@H]1CCC[C@H]1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(F)cc2F)cc1NC1CCOCC1F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(F)cc2F)cc1NC1CCCOC1 |r|
CC(C)Nc1cc(Nc2ncc(O)cn2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
COc1cnc(Nc2cc(NC3CCC3)c(cn2)C(=O)NC[C@@H](F)C(C)(C)O)nc1 |r|
CC(C)Nc1cc(Nc2ncc(C)cn2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C |r,wU:9.12,wD:6.5,(-11.34,1.15,;-10,1.93,;-10,3.47,;-8.67,1.15,;-7.34,1.93,;-7.34,3.47,;-6,1.15,;-6,-.38,;-4.67,-1.15,;-3.33,-.38,;-3.33,1.15,;-4.67,1.93,;-2,-1.15,;-.67,-.38,;-.67,1.15,;.67,-1.15,;.67,-2.69,;2,-3.47,;3.33,-2.69,;4.67,-3.47,;6,-2.69,;7.34,-3.47,;8.67,-2.69,;8.67,-1.15,;7.34,-.38,;6,-1.15,;4.67,-.38,;10,-.38,;11.34,-1.15,;3.33,-1.15,;2,-.38,;2,1.15,;3.33,1.93,;3.33,3.47,;4.67,1.15,)|
CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cn2)C#N)cc1NC(C)C |r|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1CC1 |r,wU:23.24,wD:26.31,(3.44,3.47,;3.44,1.93,;4.77,1.15,;2.1,1.15,;2.1,-.38,;3.44,-1.15,;3.44,-2.69,;4.77,-3.47,;6.1,-2.69,;7.44,-3.47,;8.77,-2.69,;8.77,-1.15,;7.44,-.38,;6.1,-1.15,;4.77,-.38,;10.11,-.38,;11.44,-1.15,;2.1,-3.47,;.77,-2.69,;.77,-1.15,;-.56,-.38,;-.56,1.15,;-1.9,-1.15,;-3.23,-.38,;-4.56,-1.15,;-5.9,-.38,;-5.9,1.15,;-4.56,1.93,;-3.23,1.15,;-7.23,1.93,;-7.23,3.47,;-8.57,1.15,;-9.9,1.93,;-10.67,3.26,;-11.44,1.93,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC12CC3CC(CC(C3)C1)C2 |r,TLB:26:27:30:34.33.32,36:27:34:30.31.32,THB:36:31:34:35.28.27,35:33:30:36.28.27,35:27:30:34.33.32|
COCCCNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC(C)C
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1Nc1cccc(CO)c1 |r|
CC(C)Nc1cc(Nc2ncc(Cl)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(Cl)cc2F)cc1NC1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1Nc1cccc(O)c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NCC(F)(F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NCCCOC(C)(C)C
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1Nc1cccc(c1)S(N)(=O)=O |r|
COc1cccc(Nc2cc(Nc3ncc(cc3F)C#N)ncc2C(=O)NC[C@@H](F)C(C)(C)O)c1 |r|
CC(C)Nc1cc(Nc2ccnc(N)n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ncncc2N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC12CCC(O)(CC1)C2 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1Nc1cccc(NS(C)(=O)=O)c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1Nc1cccc(c1)C(N)=O |r|
CC(C)Nc1cc(Nc2ncc(C#N)c(N)n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:23.24,wD:26.31,(1.54,3.72,;.21,4.49,;.21,6.03,;-1.13,3.72,;-1.13,2.18,;.21,1.41,;.21,-.13,;1.54,-.9,;2.87,-.13,;4.21,-.9,;5.54,-.13,;5.54,1.41,;4.21,2.18,;2.87,1.41,;1.54,2.18,;6.88,2.18,;8.21,1.41,;-1.13,-.9,;-2.46,-.13,;-2.46,1.41,;-3.79,2.18,;-3.79,3.72,;-5.13,1.41,;-5.53,-.08,;-4.44,-1.17,;-4.84,-2.66,;-6.32,-3.05,;-7.41,-1.96,;-7.01,-.48,;-6.72,-4.54,;-8.21,-4.94,;-5.63,-5.63,;-7.12,-6.03,)|
CCCNc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CCCNc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)CCNc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)CCNc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1Nc1ccc(cc1)C(N)=O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1Nc1cccc(c1)C(N)=O |r|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC1CC[C@@H](CC1)C(C)(O)C1CC1 |r,wD:26.31,(2.77,3.47,;2.77,1.93,;4.1,1.15,;1.44,1.15,;1.44,-.38,;2.77,-1.15,;2.77,-2.69,;4.1,-3.47,;5.44,-2.69,;6.77,-3.47,;8.11,-2.69,;8.11,-1.15,;6.77,-.38,;5.44,-1.15,;4.1,-.38,;9.44,-.38,;10.77,-1.15,;1.44,-3.47,;.1,-2.69,;.1,-1.15,;-1.23,-.38,;-1.23,1.15,;-2.56,-1.15,;-3.9,-.38,;-5.23,-1.15,;-6.57,-.38,;-6.57,1.15,;-5.23,1.93,;-3.9,1.15,;-7.9,1.93,;-9.23,2.69,;-7.9,3.47,;-9.23,1.15,;-10.77,1.15,;-10,-.18,)|
Cn1nnnc1-c1cccc(Nc2cc(Nc3ncc(cc3Cl)C#N)ncc2C(=O)NC[C@@H](F)C(C)(C)O)c1 |r|
Cn1nnnc1-c1ccc(Nc2cc(Nc3ncc(cn3)C#N)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
Cn1nnnc1-c1ccc(Nc2cc(Nc3ncc(cc3Cl)C#N)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
CS(=O)(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCOCC1 |r,wU:7.10,wD:4.3,(-10,.77,;-8.67,1.54,;-9.44,2.87,;-7.9,2.87,;-7.34,.77,;-7.34,-.77,;-6,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-3.33,-1.54,;-2,-.77,;-2,.77,;-.67,-1.54,;-.67,-3.08,;.67,-3.85,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;6,-.77,;4.67,-1.54,;3.33,-.77,;8.67,-.77,;10,-1.54,;2,-1.54,;.67,-.77,;.67,.77,;2,1.54,;3.33,.77,;4.67,1.54,;4.67,3.08,;3.33,3.85,;2,3.08,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1N[C@H]1CC[C@](C)(O)CC1 |r,wU:4.4,30.33,wD:27.28,(-9.34,-1.82,;-8,-1.05,;-8,.49,;-9.34,-.28,;-6.67,-1.82,;-6.67,-3.36,;-5.33,-1.05,;-4,-1.82,;-2.67,-1.05,;-2.67,.49,;-1.33,-1.82,;-1.33,-3.36,;,-4.13,;1.33,-3.36,;2.67,-4.13,;4,-3.36,;5.33,-4.13,;6.67,-3.36,;6.67,-1.82,;5.33,-1.05,;4,-1.82,;2.67,-1.05,;8,-1.05,;9.34,-1.82,;1.33,-1.82,;,-1.05,;,.49,;1.33,1.26,;2.67,.49,;4,1.26,;4,2.8,;4.77,4.13,;5.49,2.4,;2.67,3.57,;1.33,2.8,)|
CS(=O)(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CC1 |r,wU:7.10,wD:4.3,(-10,1.26,;-8.67,2.03,;-9.44,3.36,;-7.9,3.36,;-7.34,1.26,;-7.34,-.28,;-6,-1.05,;-4.67,-.28,;-4.67,1.26,;-6,2.03,;-3.33,-1.05,;-2,-.28,;-2,1.26,;-.67,-1.05,;-.67,-2.59,;.67,-3.36,;2,-2.59,;3.33,-3.36,;4.67,-2.59,;6,-3.36,;7.34,-2.59,;7.34,-1.05,;6,-.28,;4.67,-1.05,;3.33,-.28,;8.67,-.28,;10,-1.05,;2,-1.05,;.67,-.28,;.67,1.26,;2,2.03,;3.54,2.03,;2.77,3.36,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1N[C@H]1CC[C@@](C)(O)CC1 |r,wU:4.4,wD:27.28,30.33,(-9.34,-1.82,;-8,-1.05,;-8,.49,;-9.34,-.28,;-6.67,-1.82,;-6.67,-3.36,;-5.33,-1.05,;-4,-1.82,;-2.67,-1.05,;-2.67,.49,;-1.33,-1.82,;-1.33,-3.36,;,-4.13,;1.33,-3.36,;2.67,-4.13,;4,-3.36,;5.33,-4.13,;6.67,-3.36,;6.67,-1.82,;5.33,-1.05,;4,-1.82,;2.67,-1.05,;8,-1.05,;9.34,-1.82,;1.33,-1.82,;,-1.05,;,.49,;1.33,1.26,;2.67,.49,;4,1.26,;4,2.8,;4.77,4.13,;5.49,2.4,;2.67,3.57,;1.33,2.8,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1Nc1ccc2ncsc2c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)c(N)n2)cc1NC1CC1 |r|
CC(C)CNc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@H](F)C(C)(C)O |r|
CC(F)[C@@H](C)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CS(=O)(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1Nc1cccc(c1)C(N)=O |r,wU:7.10,wD:4.3,(-10,-.38,;-8.67,.38,;-9.44,1.72,;-7.9,1.72,;-7.34,-.38,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;6,-5,;7.34,-4.23,;7.34,-2.69,;6,-1.93,;4.67,-2.69,;3.33,-1.93,;8.67,-1.93,;10,-2.7,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;4.67,.38,;4.67,1.93,;3.33,2.69,;2,1.93,;3.33,4.23,;2,5,;4.67,5,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1Nc1cccc(c1)C#N |r|
CC(Nc1cc(Nc2ncc(cn2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O)C1CC1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc(cc2F)C#N)cc1NC1COC1 |r|
COC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C |r,wU:8.11,wD:5.4,(-11.34,1.18,;-10,1.95,;-8.67,1.18,;-8.67,-.36,;-7.34,1.95,;-6,1.18,;-6,-.36,;-4.67,-1.13,;-3.33,-.36,;-3.33,1.18,;-4.67,1.95,;-2,-1.13,;-.67,-.36,;-.67,1.18,;.67,-1.13,;.67,-2.67,;2,-3.44,;3.33,-2.67,;4.67,-3.44,;6,-2.67,;7.34,-3.44,;8.67,-2.67,;8.67,-1.13,;7.34,-.36,;6,-1.13,;4.67,-.36,;10,-.36,;11.34,-1.13,;3.33,-1.13,;2,-.36,;2,1.18,;3.33,1.95,;2.94,3.44,;4.67,1.18,)|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC1CCC(O)(CC1)c1ccnn1C |w:26.32,(2.12,3.17,;2.52,1.69,;3.85,.92,;1.18,.92,;1.18,-.62,;2.52,-1.39,;2.52,-2.93,;3.85,-3.7,;5.19,-2.93,;6.52,-3.7,;7.85,-2.93,;7.85,-1.39,;6.52,-.62,;5.19,-1.39,;3.85,-.62,;9.19,-.62,;10.52,-1.39,;1.18,-3.7,;-.15,-2.93,;-.15,-1.39,;-1.48,-.62,;-1.48,.92,;-2.82,-1.39,;-4.15,-.62,;-4.15,.92,;-5.48,1.69,;-6.82,.92,;-6.82,2.46,;-6.82,-.62,;-5.48,-1.39,;-8.15,1.69,;-8.15,3.23,;-9.62,3.7,;-10.52,2.46,;-9.62,1.21,;-10.01,-.28,)|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC1CCC(O)(CC1)c1nccs1 |w:26.32,(2.12,3.17,;2.52,1.69,;3.85,.92,;1.18,.92,;1.18,-.62,;2.52,-1.39,;2.52,-2.93,;3.85,-3.7,;5.19,-2.93,;6.52,-3.7,;7.85,-2.93,;7.85,-1.39,;6.52,-.62,;5.19,-1.39,;3.85,-.62,;9.19,-.62,;10.52,-1.39,;1.18,-3.7,;-.15,-2.93,;-.15,-1.39,;-1.48,-.62,;-1.48,.92,;-2.82,-1.39,;-4.15,-.62,;-4.15,.92,;-5.48,1.69,;-6.82,.92,;-6.82,2.46,;-6.82,-.62,;-5.48,-1.39,;-8.15,1.69,;-8.15,3.23,;-9.62,3.7,;-10.52,2.46,;-9.62,1.21,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1Nc1ccc(cc1)-n1cccn1 |r|
CC(C)(C)C(=O)Oc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(ccc2=O)-c2cccnc2)c1
Cn1c(NC(=O)c2cccc(Cn3nc(ccc3=O)-c3cccnc3)c2)nc2ccccc12
COC(=O)c1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
OCc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
CN(C)C(=O)Cc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
OCc1ccc(cn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(ccc2=O)-c2cncnc2)c1
Nc1ccc(cn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
CN(C)Cc1ccc(cn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
Cc1ccncc1-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
Cc1cc(cnn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
CN(C)Cc1cncc(c1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
COc1cc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2cc1OC
COc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
OCc1cncc(c1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-n2cccc2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(c2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NC(=O)OC(C)(C)C)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2ccnc(c2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(N)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cncc(c2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Cn1ncc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c1C(N)=O
Cn1cc(NC(=O)c2cccc(n2)N2CCOCC2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)N2CCNCC2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2ccncc2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2cccnc2)c(n1)C(N)=O
COc1cccc(c1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2ccccc2)c(n1)C(N)=O
COCCNc1cc(ccn1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC(F)F)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CCOCC3)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC(F)(F)F)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2ccnc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
COc1ncccc1-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2cccc(OC(F)(F)F)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2ccsc2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2ccc(nc2)N2CCOCC2)c(n1)C(N)=O
CNC(=O)c1cccc(c1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Cn1cc(NC(=O)c2cccc(n2)C2=CCS(=O)(=O)CC2)c(n1)C(N)=O |t:14|
Cn1cc(NC(=O)c2cccc(n2)C2=CCCOC2)c(n1)C(N)=O |t:14|
Cn1cc(NC(=O)c2cccc(n2)-c2ccc(nc2)C2CC2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2cncc(Cl)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)C2=CCOCC2)c(n1)C(N)=O |t:14|
Cn1cc(NC(=O)c2cccc(n2)-c2cnccc2Cl)c(n1)C(N)=O
CN1CCC(=CC1=O)c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O |c:4|
CN1CCC=C(C1)c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O |c:4|
CN1CCC(CNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)C1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCN1CCCC1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCc1ncc[nH]1
CN(C)CCCCCNC(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCc1ccccn1
CN1CCN(CC1)C(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1
CN(C)CCCNC(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)N1CCOCC1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)N1CC(CN)C1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)Nc1cncnc1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCc1cnccn1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCC1CCS(=O)(=O)C1
CN(C)[C@H]1CN(C[C@@H]1O)C(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1 |r|
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCc1ccncn1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCc1nncs1
CN1CCCC(CNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)C1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCn1cccn1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NC1CCOC1
OC[C@H]1C[C@@H](Nc2nc(Nc3ccccc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccc(O)cc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3cccc(O)c3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
COc1cccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r|
Nc1ncc(-c2nc3ccccc3o2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccnc(F)c3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
COc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
Cc1cnccc1Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
COc1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 |r|
Nc1ncc(-c2nc(cs2)-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(NC3COC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3cccc(F)c3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
NC(=O)Cc1cccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r|
OC[C@H]1C[C@@H](Nc2nc(NCC3CC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
COCCCNc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCOCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCCCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
Nc1ncc(c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1)-c1ccc2ccccc2n1 |r|
Nc1ncc(-c2nc3cnccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
Nc1ncc(-c2nc3ccncc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccccc3O)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccc4[nH]ccc4c3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r,$;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccc4cc[nH]c4c3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccncn3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
NC(=O)c1cccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r|
NC(=O)Cc1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccncc3F)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
CN1CCCC(C1)Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CN(C)c1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 |r|
Cc1cc(C)cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r|
COc1cccc(c1)[C@@H](C)Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3cccnc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
Nc1ncc(c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1)-c1ccccn1 |r|
CN(C)c1cccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r|
Cc1cc(Nc2ncc(-c3cncs3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
Cc1cc(Nc2ncc(-c3cscn3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccc(OC(F)(F)F)cc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
COc1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cn1 |r|
CN1CCN(CC1)c1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 |r|
CN1CCN(CC1)c1cccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r|
Nc1ncc(-c2cc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCCNC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCOC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCCOC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccc4[nH]ncc4c3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r,$;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
OC[C@H]1C[C@@H](Nc2nc(NC3CCNC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCNCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CN1CCC(CC1)Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CNC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1CC(Nc2nc([NH2+]c3cccnc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1CC(Nc2[nH+]c(NC3CCC3)ncc2-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O |r|
OC[C@H]1CC(Nc2[nH+]c(NC3COC3)ncc2-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O |r|
COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)-c2ccc3ccccc3n2)ccn1 |r|
Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)cc(C)n1 |r|
OC[C@H]1CC(Nc2[nH+]c(NC3CC3)ncc2-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O |r|
CC(C)Oc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)-c2ccc3ccccc3n2)ccn1 |r|
CC(C)n1ccc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)-c2ccc3ccccc3n2)cc1=O |r|
OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3ccnc(OC4CC4)c3)ncc2-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O |r|
Nc1ncc(-c2nccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)[nH+]1 |r|
OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3ccncc3)ncc2-c2nccs2)[C@H](O)[C@@H]1O |r|
CN(C)c1ccc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 |r|
Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
Cc1cc([NH2+]c2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
COc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1 |r|
OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O |r|
CN(C)c1cccc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)c1 |r|
OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O |r|
COc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1 |r|
OC[C@H]1C[C@@H](Nc2[nH+]c(NC3CCC3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O |r|
Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1 |r|
OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cccnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O |r|
Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1 |r|
COc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1 |r|
OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc(cs2)-c2ccccc2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cccnc3)ncc2-c2nc(cs2)-c2ccccc2)[C@H](O)[C@@H]1O |r|
Nc1ncc(-c2nc3cccnc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)-n2cccn2)ccn1 |r|
Cc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)-n2cccn2)cc(C)n1 |r|
Cc1nc(Nc2ccnc(F)c2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
Cc1cc(Nc2nc(C)c(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
Cc1nc(Nc2ccc(Cl)cc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
CN1CCN(CCCNc2nc(C)c(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)CC1 |r|
Cc1nc(NC2CC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
Cc1nc(nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1)N1CCC(N)CC1 |r|
Cc1nc(NCC2CCNCC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
COc1cccc(Nc2nc(C)c(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r|
Cc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc(Br)cs1 |r|
Cc1csc(n1)-c1c(C)nc(N)nc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O |r|
Cc1nc(Nc2ccccn2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
CC1CCN(CC1)c1nc(C)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
Cc1nc(Nc2cccnc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
COc1cc(Nc2nc(C)c(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
Cc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2o1 |r|
Cc1nc(Nc2cccc(c2)C(N)=O)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
Cc1nc(Nc2ccc(O)cc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
Cc1nc(Nc2cccc(O)c2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
Cc1nc(Nc2cccc(Cl)c2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
Cc1cc(Nc2nc(C)c(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r|
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@H]3C[C@@H](CO)[C@H](O)[C@@H]3O)[nH+]2)cc(C)n1 |r|
Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r|
COc1cc(Nc2ncc(c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)-c2ccc3ccccc3n2)ccn1 |r|
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r|
CC(C)(O)[C@H]1C[C@@H](Nc2[nH+]c(Nc3ccnc(c3)C#N)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CC(C)(O)[C@H]1C[C@@H](Nc2[nH+]c(Nc3cccc(c3)C#N)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CC(C)Oc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)ccn1 |r|
COc1cccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)c1 |r|
Cc1cccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)c1 |r|
CC(C)(O)[C@H]1C[C@@H](Nc2[nH+]c(Nc3ccccc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CC(C)(O)[C@H]1C[C@@H](Nc2[nH+]c(Nc3ccnc(c3)C(F)(F)F)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CC(C)(O)[C@H]1C[C@@H](Nc2[nH+]c(Nc3cccc(c3)C(F)(F)F)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CC(C)(O)[C@H]1C[C@@H](Nc2[nH+]c(Nc3cc(F)cc(F)c3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
COc1cc(Nc2ncc(c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)-c2ccc3cccc(C)c3n2)ccn1 |r|
Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)ccn1 |r|
COc1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)c(OC)c1 |r|
COc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)ccn1 |r|
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)n2)ccn1 |r|
CC(C)(O)[C@H]1C[C@@H](Nc2nc(NC3CCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CC(C)(O)[C@H]1C[C@@H](Nc2nc(Nc3cccc(c3)C(N)=O)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CC(C)(O)[C@H]1C[C@@H](Nc2nc(N)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CC(C)(O)[C@H]1C[C@@H](Nc2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
Cc1csc(n1)-c1cnc(N)nc1N[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)C(C)(C)O |r|
Cc1csc(n1)-c1cnc(Nc2cc(C)nc(C)c2)nc1N[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)C(C)(C)O |r|
Cc1csc(n1)-c1cnc(NC2CCC2)nc1N[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)C(C)(C)O |r|
COc1cc(Nc2ncc(-c3nc(C)cs3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)n2)ccn1 |r|
COc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)ccn1 |r|
Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r|
Cc1cc(Nc2ncc(-c3nc4c(C)nccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r|
CO[C@H]1[C@@H](C[C@H](CO)[C@H]1O)Nc1nc(Nc2ccnc(OC)c2)ncc1-c1nc2ccccc2s1 |r|
CO[C@H]1[C@@H](C[C@H](CO)[C@H]1O)Nc1nc(Nc2cc(C)nc(C)c2)ncc1-c1nc2ccccc2s1 |r|
CO[C@H]1[C@@H](C[C@H](CO)[C@H]1O)Nc1nc(Nc2ccnc(OC)c2)ncc1-c1ccc2ccccc2n1 |r|
CO[C@H]1[C@@H](C[C@H](CO)[C@H]1O)Nc1nc(N)ncc1-c1nc2ccccc2s1 |r|
COC[C@H]1C[C@@H](Nc2nc(Nc3ccnc(OC)c3)ncc2-c2nc3ccccc3s2)[C@H](OC)[C@@H]1O |r|
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CF)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2F)n1 |r|
C[C@H]1C[C@@H](Nc2nc(N)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
COc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](C)[C@@H](O)[C@H]3O)n2)ccn1 |r|
CO[C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)OC)Nc1nc(Nc2cc(C)nc(C)c2)ncc1-c1nc2ccccc2s1 |r|
CO[C@H]1[C@@H](C[C@@H]([C@H]1O)C(C)(C)O)Nc1nc(Nc2cc(C)nc(C)c2)ncc1-c1nc2ccccc2s1 |r|
OC[C@H]1C[C@@H](Nc2cc(Nc3ccc(F)cc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
Nc1cc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(cn1)-c1nc2ccccc2s1 |r|
OC[C@H]1C[C@@H](Nc2cc(NC3CCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
Cc1cc(Nc2cc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(cn2)-c2nc3ccccc3s2)cc(C)n1 |r|
COc1cc(Nc2cc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(cn2)-c2nc3ccccc3s2)ccn1 |r|
CO[C@H]1[C@@H](C[C@H](CO)[C@H]1O)Nc1cc(Nc2cc(C)nc(C)c2)ncc1-c1nc2ccccc2s1 |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)ccc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
Nc1ccc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
Cc1cc(Nc2cc(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)c(cn2)-c2nc3ccccc3s2)cc(C)n1 |r|
COc1cc(Nc2cc(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)c(cn2)-c2nc3ccccc3s2)ccn1 |r|
CC(C)(O)[C@H]1C[C@@H](Nc2cc(NC3CCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
Cc1csc(n1)-c1cnc(Nc2cc(C)nc(C)c2)cc1N[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)C(C)(C)O |r|
COc1cc(Nc2cc(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)c(cn2)-c2ccc3ccccc3n2)ccn1 |r|
Cc1cc(Nc2cc(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)c(cn2)-c2ccc3ccccc3n2)cc(C)n1 |r|
CNC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CC(C)Nc1cc(Nc2ccc(cn2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CCNc1cc(Nc2ccc(cn2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2ncc(cn2)C#N
CC(C)Nc1cc(Nc2ccnc(NC3CC3)n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc(C#N)c(n2)N2CC[C@@H](O)C2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NCC[C@@H](C)NC(C)=O |r|
CC(C)NC(=O)N[C@H](C)CCNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C |r|
CCNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C |r,wU:8.11,wD:5.4,(-11.42,6.09,;-10.08,6.86,;-8.75,6.09,;-7.42,6.86,;-7.42,8.4,;-6.08,6.09,;-6.08,4.55,;-4.75,3.78,;-3.42,4.55,;-3.42,6.09,;-4.75,6.86,;-2.08,3.78,;-.75,4.55,;-.75,6.09,;.59,3.78,;.59,2.24,;1.92,1.47,;3.25,2.24,;4.59,1.47,;5.92,2.24,;7.25,1.47,;8.59,2.24,;8.59,3.78,;7.25,4.55,;5.92,3.78,;4.59,4.55,;9.92,4.55,;11.26,5.32,;3.25,3.78,;1.92,4.55,;1.92,6.09,;3.25,6.86,;3.25,8.4,;4.59,6.09,)|
CC(C)Nc1cc(Nc2ccc(cn2)C#N)ncc1C(=O)NC1CCC(O)(CC1)c1ccnn1C |w:29.31,(2.49,7.69,;2.49,6.15,;3.82,5.38,;1.15,5.38,;1.15,3.84,;2.49,3.07,;2.49,1.53,;3.82,.76,;5.15,1.53,;5.15,3.07,;6.49,3.84,;7.87,3.1,;7.82,1.53,;6.49,.76,;9.2,3.87,;10.54,4.64,;1.15,.76,;-.18,1.53,;-.18,3.07,;-1.52,3.84,;-1.52,5.38,;-2.85,3.07,;-4.18,3.84,;-5.52,3.07,;-6.85,3.84,;-6.85,5.38,;-6.85,6.92,;-5.52,6.15,;-4.18,5.38,;-8.18,6.15,;-8.18,7.69,;-9.65,8.17,;-10.55,6.92,;-9.65,5.68,;-10.42,4.35,)|
CS[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C |r,wU:5.8,wD:2.1,(-10,7.37,;-8.67,8.14,;-7.34,7.37,;-7.34,5.83,;-6,5.06,;-4.67,5.83,;-4.67,7.37,;-6,8.14,;-3.33,5.06,;-2,5.83,;-2,7.37,;-.67,5.06,;-.67,3.52,;.67,2.75,;2,3.52,;3.33,2.75,;4.67,3.52,;6,2.75,;7.34,3.52,;7.38,5.09,;6,5.83,;4.67,5.06,;3.33,5.83,;8.72,5.86,;10.05,6.63,;2,5.06,;.67,5.83,;.67,7.37,;2,8.14,;3.33,7.37,;1.6,9.63,)|
COC[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC(C)C |r|
C[C@@H](CF)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2nc(OC3CCNCC3)ncc2Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)C(F)(F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CC1
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC1CCC(CC1)[C@@](C)(O)C1CC1 |r,wU:29.33,wD:29.31,(2,6.99,;2,5.45,;3.33,4.68,;.67,4.68,;.67,3.14,;2,2.37,;2,.83,;3.33,.06,;4.67,.83,;6,.06,;7.34,.83,;7.38,2.39,;6,3.14,;4.67,2.37,;3.33,3.14,;8.72,3.16,;10.05,3.93,;.67,.06,;-.67,.83,;-.67,2.37,;-2,3.14,;-2,4.68,;-3.33,2.37,;-4.67,3.14,;-6,2.37,;-7.34,3.14,;-7.34,4.68,;-6,5.45,;-4.67,4.68,;-8.67,5.45,;-10,4.68,;-7.34,6.22,;-8.67,6.99,;-7.9,8.32,;-9.44,8.32,)|
CC(C)Nc1cc(Nc2ncc(C)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC1COC1 |r|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC1CCC(O)(CC1)c1ccnn1C |w:26.32,(3.85,.94,;2.52,1.71,;2.52,3.25,;1.18,.94,;1.18,-.62,;2.52,-1.39,;2.52,-2.93,;3.85,-3.7,;5.19,-2.93,;6.52,-3.7,;7.85,-2.93,;7.92,-1.31,;6.52,-.62,;5.19,-1.39,;3.85,-.62,;9.24,-.53,;10.56,.26,;1.18,-3.7,;-.15,-2.93,;-.15,-1.39,;-1.48,-.62,;-1.48,.92,;-2.82,-1.39,;-4.15,-.62,;-5.48,-1.39,;-6.82,-.62,;-6.82,.92,;-6.82,2.46,;-5.48,1.69,;-4.15,.92,;-8.15,1.69,;-8.15,3.23,;-9.62,3.7,;-10.52,2.46,;-9.62,1.21,;-10.39,-.12,)|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC1CCC(O)(CC1)c1nccs1 |w:26.32,(3.85,.94,;2.52,1.71,;2.52,3.25,;1.18,.94,;1.18,-.62,;2.52,-1.39,;2.52,-2.93,;3.85,-3.7,;5.19,-2.93,;6.52,-3.7,;7.85,-2.93,;7.92,-1.31,;6.52,-.62,;5.19,-1.39,;3.85,-.62,;9.24,-.53,;10.56,.26,;1.18,-3.7,;-.15,-2.93,;-.15,-1.39,;-1.48,-.62,;-1.48,.92,;-2.82,-1.39,;-4.15,-.62,;-5.48,-1.39,;-6.82,-.62,;-6.82,.92,;-6.82,2.46,;-5.48,1.69,;-4.15,.92,;-8.15,1.69,;-8.15,3.23,;-9.62,3.7,;-10.52,2.46,;-9.62,1.21,)|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCOC[C@@H]4N)nc23)c(n1)C(N)=O |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(N)=O |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCS(=O)(=O)C[C@H]4N)nc23)c(n1)C(N)=O |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CS(=O)(=O)CC[C@H]4N)nc23)c(n1)C(N)=O |r|
N[C@@H]1CCCC[C@@H]1Nc1ccn2ncc(C(=O)Nc3cn(nc3C(N)=O)-c3cccnc3)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r|
CN1CCCC(C1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O |r|
NCCNc1ccn2ncc(C(=O)Nc3cn(nc3C(N)=O)-c3cccnc3)c2n1
Cn1cc(NC(=O)c2cnn3ccc(NC4CCCC4N)nc23)c(n1)C(N)=O
Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCCC4N)nc23)c(n1)C(N)=O
Cn1cc(NC(=O)c2cnn3ccc(NC4CCNC4)nc23)c(n1)C(N)=O
Cn1cc(NC(=O)c2cnn3ccc(NC4CCCNC4)nc23)c(n1)C(N)=O
CNC(=O)c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@H]3CCCC[C@H]3N)nc12 |r|
CN(C)C(=O)c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@H]3CCCC[C@H]3N)nc12 |r|
CS(=O)(=O)N1CCCC(C1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O |r|
CC(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CCO)nc3C(N)=O)c2n1 |r|
COCCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r|
CN1CCCC(Cn2cc(NC(=O)c3cnn4ccc(N[C@@H]5CCCC[C@@H]5N)nc34)c(n2)C(N)=O)C1 |r|
Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)c(n1)C(N)=O
Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4O)nc23)c(n1)C(N)=O
Cn1cc(NC(=O)c2cnn3ccc(NCCN)nc23)c(n1)C(N)=O
Cn1cc(NC(=O)c2cnn3ccc(NCC4CNC(=O)C4)nc23)c(n1)C(N)=O
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCOCC2)c(n1)C(N)=O
Cn1cc(c(n1)C(=O)N)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4
NC(=O)c1nn(cc1NC(=O)c1cnn2ccc(nc12)N1CCNCC1)-c1ccncc1
NC(=O)c1c(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)cnn1-c1ccncc1
NC(=O)c1nn(cc1NC(=O)c1cnn2ccc(nc12)N1CCNCC1)-c1cccnc1
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)C(N)=O
Cn1cc(NC(=O)c2ccc3cccnn23)c(n1)C(N)=O
NC(=O)c1nn(cc1NC(=O)c1cnn2cccnc12)-c1cccnc1
NC(=O)c1ccncc1NC(=O)c1cnn2cccnc12
CC(C)(C)OC(=O)N1CCC(CC1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)C(N)=O
NC(=O)c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
CS(=O)(=O)N1CCC(CC1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)C(N)=O
NC(=O)c1cnccc1NC(=O)c1cnn2cccnc12
NC(=O)c1sccc1NC(=O)c1cnn2cccnc12
CC(C)(C)c1cc(NC(=O)c2cnn3cccnc23)c(s1)C(N)=O
NC(=O)c1ccccc1NC(=O)c1cnn2cccnc12
NC(=O)c1n[nH]cc1NC(=O)c1cnn2cccnc12
NC(=O)c1cc(c(Cl)cc1NC(=O)c1cnn2cccnc12)S(N)(=O)=O
NC(=O)c1cc(Br)ccc1NC(=O)c1cnn2cccnc12
CSc1ncc2ccc(C(=O)Nc3cn(C)nc3C(N)=O)n2n1
NCCNc1ncc2ccc(C(=O)Nc3cn(CCO)nc3C(N)=O)n2n1
CNC(=O)c1nn(C)cc1NC(=O)c1ccc2cnc(NCCN)nn12
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(N)=O |r|
CCn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(N)=O |r|
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3cn(CCO)nc3C(N)=O)n2n1 |r|
CNC(=O)c1nn(C)cc1NC(=O)c1ccc2cnc(N[C@@H]3CCCC[C@@H]3N)nn12 |r|
CNC(=O)c1nn(CCO)cc1NC(=O)c1ccc2cnc(N[C@@H]3CCCC[C@@H]3N)nn12 |r|
COCCn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(N)=O |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4COCC[C@H]4N)nc23)c(n1)C(N)=O |r|
CS(=O)(=O)N1CCC(CC1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O |r|
CN1CCC(CC1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O |r|
CCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CC(N)=O)nc3C(N)=O)c2n1 |r|
CNS(=O)(=O)c1ccc(cc1)-n1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(N)=O
NC(=O)c1nn(cc1NC(=O)c1cnn2ccc(nc12)N1CCNCC1)-c1ccccn1
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNC(=O)C2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cnn3ccc(OCCN)nc23)c(n1)C(N)=O
Cn1cc(NC(=O)c2cnn3ccc(CCCN)nc23)c(n1)C(N)=O
NC(=O)c1ncccc1NC(=O)c1cnn2cccnc12
Cn1cc(NC(=O)c2csc3nccnc23)c(n1)C(N)=O
Cn1cc(NC(=O)c2ccc3cnc(NCCN)nn23)c(n1)C(N)=O
O=C1Nc2ccccc2OCC\C=C\COc2cc(ccn2)-c2nc1co2 |t:13|
O=C1Nc2ccccc2OCCCCCNc2cc(ccn2)-c2nc1co2
O=C1Nc2ccccc2OCCCCCOc2cc(ccn2)-c2nc1co2
O=C1Nc2ccccc2OCCCCOCc2cc(ccn2)-c2nc1co2
O=C1Nc2ccccc2OCCCCCCc2cc(ccn2)-c2nc1co2
O=C1Nc2ccccc2OCCCCCCCn2cc(cn2)-c2nc1cs2
O=C1Nc2ccccc2OCCCCCCn2cc(cn2)-c2nc1co2
O=C1Nc2ccccc2OCCCCCCCn2cc(cn2)-c2nc1co2
O=C1NCCCCCCCCCn2cc(cn2)-c2nc1co2
CC1CCCCOc2ccccc2NC(=O)c2coc(n2)-c2ccnc(N1)c2
CN1CCCCCOc2ccccc2NC(=O)c2coc(n2)-c2ccnc1c2
OCC1CCCCNc2cc(ccn2)-c2nc(co2)C(=O)Nc2ccccc2O1
O=C1Nc2ccccc2OCCCCCNc2cc(ccn2)-c2nc1cs2
COC(=O)c1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
OC(=O)c1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
CN(C)CCNC(=O)c1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
CNC(=O)c1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
O=C(NCCN1CCCCC1)c1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
O=C(NCCN1CCOCC1)c1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
CN(C)C(=O)c1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
CN(C)C1CCN(C1)C(=O)c1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
O=C(N1CCOCC1)c1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
CN1CCN(CC1)C(=O)c1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
NC(=O)c1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
CN(C)CCNC(=O)c1ccc2NC(=O)c3csc(n3)-c3ccnc(NCCCCCOc2c1)c3
O=C1Nc2cc(CCCN3CCCCC3)ccc2OCCCCCNc2cc(ccn2)-c2nc1cs2
O=C1Nc2ccc(CCCN3CCCCC3)cc2OCCCCCNc2cc(ccn2)-c2nc1cs2
Cn1cc2NC(=O)c3coc(n3)-c3ccnc(c3)N(CCC\C=C\CCCNC(=O)c2n1)C(=O)OC(C)(C)C |t:24|
Cn1cc2NC(=O)c3coc(n3)-c3ccnc(NCCCCCCCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3coc(n3)-c3ccnc(NCCCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3coc(n3)-c3ccnc(NCCCCCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3coc(n3)-c3ccnc(NCCCCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3coc(n3)-c3ccnc(OCCCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3coc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCCCOc2cc(ccn2)-c2nc1co2)C1CCOCC1
Cn1cc2NC(=O)c3coc(n3)-c3ccnc(OCCCCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCCCCOc2cc(ccn2)-c2nc1co2)C1CCOCC1
Cn1cc2NC(=O)c3coc(n3)-c3ccnc(CCCCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCCCCc2cc(ccn2)-c2nc1co2)C1CCOCC1
Cn1cc2NC(=O)c3coc(n3)-c3cnn(CCCCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCCCCn2cc(cn2)-c2nc1co2)C1CCOCC1
Cn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
O=C1NCCOCCOc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3csc(n3)-c3ccnc(NCCOCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCOCCNc2cc(ccn2)-c2nc1cs2)C1CCOCC1
O=C1NCCOCCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3csc(n3)-c3ccnc(CCCOCCNC(=O)c2n1)c3
CCn1cc(cn1)N1CCCCCCOc2cc(ccn2)-c2nc(co2)C1=O
O=C1N(Cc2ccccc2)CCCCCCOc2cc(ccn2)-c2nc1co2
CN1CCCCCCOc2cc(ccn2)-c2nc(co2)C1=O
CCN1CCCCCCOc2cc(ccn2)-c2nc(co2)C1=O
CN(C)CCN1CCCCCCOc2cc(ccn2)-c2nc(co2)C1=O
CN(C)CCCN1CCCCCCOc2cc(ccn2)-c2nc(co2)C1=O
O=C1N(CCN2CCCCC2)CCCCCCOc2cc(ccn2)-c2nc1co2
O=C1N(CCCN2CCCCC2)CCCCCCOc2cc(ccn2)-c2nc1co2
O=C1NCCCCCCOc2cc(ccn2)-c2nc1co2
O=C1N2CCCC2COCCCCCNc2cc(ccn2)-c2nc1co2
Cn1cc(cn1)N1CCCCCOc2cnccc2-c2nc(co2)C1=O
Cn1cc2NC(=O)c3coc(n3)-c3ccncc3OCCCCNC(=O)c2n1
Cn1cc2NC(=O)c3coc(n3)-c3ccncc3OCCCCCNC(=O)c2n1
O=C1NCCCCCCCCNc2cc(ccn2)-c2nc1cs2
CCN1CCCCCCCCN(CC)C(=O)c2csc(n2)-c2ccnc1c2
CCN1CCCCCCCCNc2cc(ccn2)-c2nc(cs2)C1=O
CCN1CCCCCCCCNC(=O)c2csc(n2)-c2ccnc1c2
O=C1NCCCCCCCCNc2cc(ccn2)-c2nc1co2
CC1CCCCNc2cc(ccn2)-c2nc(co2)C(=O)Nc2ccccc2O1
O=C1Nc2ccccc2OCCCCNc2cc(ccn2)-c2nc1co2
CC1CCCC(C)Oc2ccccc2NC(=O)c2coc(n2)-c2ccnc(N1)c2
O=C1Nc2ccccc2OCCCCCCn2cc(cn2)-c2nc1cs2
Brc1ccc2OCCCCCNc3cc(ccn3)-c3nc(cs3)C(=O)Nc2c1
CC1CNC(=O)c2coc(n2)-c2ccnc(NCCCCCO1)c2
O=C1NCC(OCCCCCNc2cc(ccn2)-c2nc1co2)C1CC1
O=C1NCC(OCCCCCNc2cc(ccn2)-c2nc1co2)c1ccccc1
O=C1NCC(OCCCCCNc2cc(ccn2)-c2nc1co2)C1CCCCC1
O=C1NCc2ccc(OCCOc3cc(ccn3)-c3nc1co3)cc2
O=C1NCC2CCCC(C2)OCCCNc2cc(ccn2)-c2nc1cs2
O=C1Nc2ccccc2OC2CCC(CC2)CCc2cc(ccn2)-c2nc1co2 |(-3.34,3.96,;-2.26,2.88,;-2.62,1.55,;-3.71,.46,;-5.2,.86,;-6.28,-.23,;-5.89,-1.72,;-4.4,-2.12,;-3.31,-1.03,;-1.82,-1.43,;-1.42,-2.92,;.06,-3.32,;1.15,-2.23,;2.64,-2.63,;1.37,-4.79,;-.65,-4.25,;3.41,-1.29,;4.95,-1.29,;4.95,.25,;3.62,1.02,;3.62,2.56,;4.95,3.33,;6.28,2.56,;6.28,1.02,;2.28,3.33,;1.04,2.42,;-.21,3.33,;.27,4.79,;1.81,4.79,)|
O=C1NC[C@H]2CC[C@@H](C2)OCCCNc2cc(ccn2)-c2nc1cs2 |r|
O=C1NC[C@@H]2CC[C@@H](C2)OCCCNc2cc(ccn2)-c2nc1cs2 |r|
O=C1NCC2CCC(CC2)OCCNc2cc(ccn2)-c2nc1co2 |(-4.65,3.45,;-3.56,2.37,;-4.11,.33,;-4.88,-1.01,;-4.11,-2.34,;-2.63,-2.74,;-2.23,-4.23,;-0,-4.23,;-.4,-2.74,;-2.63,-1.94,;.77,-2.89,;2.31,-2.89,;2.71,-1.41,;4.19,-1.01,;3.8,.48,;2.31,.88,;1.91,2.37,;3,3.45,;4.49,3.06,;4.88,1.57,;.42,2.76,;-.82,1.86,;-2.07,2.76,;-1.59,4.23,;-.05,4.23,)|
O=C1NCCCOC2CCCC(C2)CNc2cc(ccn2)-c2nc1cs2
O=C1NCCOC2CCC(CC2)CNc2cc(ccn2)-c2nc1cs2 |(-5.01,1.23,;-4.24,-.1,;-5.01,-1.44,;-5.01,-3.16,;-2.49,-2.66,;-1.4,-3.75,;-.07,-2.98,;1.41,-2.55,;2.9,-2.98,;3.67,-1.64,;2.19,-2.07,;.7,-1.64,;5.01,-.87,;5.01,.67,;3.67,1.44,;2.34,.67,;1.01,1.44,;1.01,2.98,;2.34,3.75,;3.67,2.98,;-.33,.67,;-1.79,1.14,;-2.7,-.1,;-1.79,-1.35,;-.33,-.87,)|
Cn1cc(cn1)N1CCCCOc2cnccc2-c2nc(co2)C1=O
O=C1Nc2cn(nc2C(=O)NCCCCOc2cc(ccn2)-c2nc1cs2)C1CCOCC1
Cn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3c[nH]c(n3)-c3ccnc(OCCCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cn(COCCS(C)(C)C)c(n3)-c3ccnc(OCCCCN(COCCS(C)(C)C)C(=O)c2n1)c3
Cn1cc2NC(=O)c3cn(COCCS(C)(C)C)c(n3)-c3ccnc(OCCCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCCCCc2cc(ccn2)-c2nc1cs2)C1CCOCC1
Cn1cc2NC(=O)c3csc(n3)-c3ccnc(CCCCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCCCCc2cc(ccn2)-c2nc1c[nH]2)C1CCOCC1
CS(C)(C)CCOCn1cc2nc1-c1ccnc(CCCCCNC(=O)c3nn(cc3NC2=O)C2CCOCC2)c1
Cn1cc2NC(=O)c3cn(COCCS(C)(C)C)c(n3)-c3ccnc(CCCCCNC(=O)c2n1)c3
CN1CCCOc2cnccc2-c2nc(cs2)C1=O
CN1CCCOc2cnccc2-c2nc(c[nH]2)C1=O
O=C1N(CCCN2CCCCC2)CCCOc2cnccc2-c2nc1co2
CN1CCCCCCOc2cc(ccn2)-c2nc(cs2)C1=O
O=C1N2CCCC2COCCCCOc2cc(ccn2)-c2nc1co2
O=C1N2CCCC2COCCCCNc2cc(ccn2)-c2nc1cs2
O=C1N2CCCC2COCCCCOc2cc(ccn2)-c2nc1cs2
O=C1Nc2c[nH]nc2C(=O)NCCOCCOc2cc(ccn2)-c2nc1cs2
CC(C)(C)OC(=O)N1CCN(CCn2ncc3NC(=O)c4csc(n4)-c4ccnc(OCCOCCNC(=O)c23)c4)CC1
O=C1NCCOCCOc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cnn(CCN3CCNCC3)c12
O=C1Nc2cn(nc2C(=O)NCCOCCOc2cc(ccn2)-c2nc1cs2)C1CCCCO1
CN(C)CCn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
O=C1NCCOCCOc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(CCN3CCOCC3)nc12
CN1CCN(CCn2cc3NC(=O)c4csc(n4)-c4ccnc(OCCOCCNC(=O)c3n2)c4)CC1
CC(C)(C)OC(=O)N1CCN(CCn2cc3NC(=O)c4csc(n4)-c4ccnc(OCCOCCNC(=O)c3n2)c4)CC1
O=C1NCCOCCOc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(CCN3CCNCC3)nc12
O=C1NCCOCCOc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(CCN3CCCCC3)nc12
CN(C)CCn1cc2NC(=O)c3csc(n3)-c3ccnc(NCCOCCNC(=O)c2n1)c3
O=C1NCCOCCNc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(CCN3CCOCC3)nc12
O=C1NCCOCCNc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(CCN3CCCCC3)nc12
Cn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCCOCCOc2cc(ccn2)-c2nc1cs2)C1CCOCC1
Cn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCCOCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCOCCCOc2cc(ccn2)-c2nc1cs2)C1CCOCC1
Cn1cc2NC(=O)c3coc(n3)-c3ccnc(OCCOCCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCCOCCOc2cc(ccn2)-c2nc1co2)C1CCOCC1
O=C1CCNC(=O)c2csc(n2)-c2ccnc(OCCOCCN1)c2
O=C1Nc2ccccc2C(=O)NCCOCCOc2cc(ccn2)-c2nc1cs2
O=C1Nc2cccnc2C(=O)NCCOCCOc2cc(ccn2)-c2nc1cs2
O=C1Nc2ccncc2C(=O)NCCOCCOc2cc(ccn2)-c2nc1cs2
O=C1Nc2cnccc2C(=O)NCCOCCOc2cc(ccn2)-c2nc1cs2
Cn1cc2NC(=O)c3csc(n3)-c3ccnc(NCCCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCCCNc2cc(ccn2)-c2nc1cs2)C1CCOCC1
Cn1cc2NC(=O)c3csc(n3)-c3ccnc(CCOCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCOCCc2cc(ccn2)-c2nc1cs2)C1CCOCC1
Cn1cc2NC(=O)c3csc(n3)-c3cnn(CCCOCCNC(=O)c2n1)c3
O=C1NCCOCCCn2cc(cn2)-c2nc(cs2)C(=O)Nc2cn(nc12)C1CCOCC1
CC(C)(C)OC(=O)Cn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
CN(C)CCCn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
CCn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3coc(n3)-c3ccnc(NCCC\C=C\CCCNC(=O)c2n1)c3 |t:22|
CN1CCN(CCC2N=CC3=C2C(=O)NCCOCCOc2cc(ccn2)-c2nc(cs2)C(=O)N3)CC1 |c:8,10|
CN1CCN(CCn2ncc3NC(=O)c4csc(n4)-c4ccnc(NCCOCCNC(=O)c23)c4)CC1
CN1CCN(CCn2cc3NC(=O)c4csc(n4)-c4ccnc(NCCOCCNC(=O)c3n2)c4)CC1
CC(C)(C)OC(=O)N1CCN(CCn2cc3NC(=O)c4csc(n4)-c4ccnc(NCCOCCNC(=O)c3n2)c4)CC1
O=C1Nc2cn(CCN3CCNCC3)nc2C(=O)NCCOCCNc2cc(ccn2)-c2nc1cs2
OC(=O)Cn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
NC(=O)Cn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
OCCn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
OC(=O)CCn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
CCOC(=O)CCn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
NC(=O)CCn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
OCCCn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
CN1CCC(CCn2cc3NC(=O)c4csc(n4)-c4ccnc(OCCOCCNC(=O)c3n2)c4)CC1
CC(C)(C)OC(=O)N1CCC(CCn2cc3NC(=O)c4csc(n4)-c4ccnc(OCCOCCNC(=O)c3n2)c4)CC1
O=C1NCCOCCOc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(CCC3CCNCC3)nc12
CN1CCC(CCn2ncc3NC(=O)c4csc(n4)-c4ccnc(OCCOCCNC(=O)c23)c4)CC1
CC(C)(C)OC(=O)N1CCC(CCn2ncc3NC(=O)c4csc(n4)-c4ccnc(OCCOCCNC(=O)c23)c4)CC1
CN1CCC(Cn2cc3NC(=O)c4csc(n4)-c4ccnc(OCCOCCNC(=O)c3n2)c4)CC1
CC(C)(C)OC(=O)N1CCC(Cn2cc3NC(=O)c4csc(n4)-c4ccnc(OCCOCCNC(=O)c3n2)c4)CC1
O=C1NCCOCCOc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(CC3CCNCC3)nc12
CNC(=O)Cn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
CC(C)n1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
CN1CCC(CC1)n1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
CC(C)(C)OC(=O)N1CCC(CC1)n1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
O=C1Nc2cn(nc2C(=O)NCCOCCOc2cc(ccn2)-c2nc1cs2)C1CCNCC1
CN(C)C(=O)Cn1cc2NC(=O)c3csc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
CC(C)(C)OC(=O)N1CCNC(=O)c2nn(cc2NC(=O)c2csc(n2)-c2ccnc(OCC1)c2)C1CCOCC1
O=C1NCCNCCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc12)C1CCOCC1
CN1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CC(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CC(C)(C)OC(=O)NCCC(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CC(C)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
NC(=O)CN1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CCOC(=O)CN1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CN(C)CCC(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
NCCC(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
OC(=O)CCN1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CCOC(=O)CCN1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
NC(=O)CCN1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CC(C)(C)C(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CCC(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
O=C(C1CC1)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CC(C)(CO)C(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CNC(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CN(C)C(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
OCCC(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CCOC(=O)CC(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
O=C(C1CCOCC1)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
CCNC(=O)N1CCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCC1)C1CCOCC1
O=C1Nc2cn(nc2C(=O)NCCCc2cc(ccn2)-c2nc1cs2)C1CCOCC1
O=C(CCC1NC(=O)c2nn(cc2NC(=O)c2csc(n2)-c2ccnc(CCCNC1=O)c2)C1CCOCC1)NCc1ccccc1
OC(=O)CCC1NC(=O)c2nn(cc2NC(=O)c2csc(n2)-c2ccnc(CCCNC1=O)c2)C1CCOCC1
NC(=O)CCC1NC(=O)c2nn(cc2NC(=O)c2csc(n2)-c2ccnc(CCCNC1=O)c2)C1CCOCC1
O=C1CNC(=O)c2nn(cc2NC(=O)c2csc(n2)-c2ccnc(CCCN1)c2)C1CCOCC1
CC1NC(=O)c2nn(cc2NC(=O)c2csc(n2)-c2ccnc(CCCNC1=O)c2)C1CCOCC1
OCCC1NC(=O)c2nn(cc2NC(=O)c2csc(n2)-c2ccnc(CCCNC1=O)c2)C1CCOCC1
O=C1NCCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NC1CCNCc1ccccc1)C1CCOCC1
O=C1CC2NC(=O)c3nn(cc3NC(=O)c3csc(n3)-c3ccnc(CCCN1C2=O)c3)C1CCOCC1
CC(C)C1NC(=O)c2nn(cc2NC(=O)c2csc(n2)-c2ccnc(CCCNC1=O)c2)C1CCOCC1
Cn1cc2NC(=O)c3cnn(c3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
O=C1NCCOCCOc2cc(ccn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3ccc(s3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cncc(c3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3csc(c3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(c3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
O=C1NCCOCCOc2cc(ccn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3ccnc(c3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
O=C1NCCOCCOc2cc(ccn2)-c2cc(ccn2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3nc(cs3)-c3ccnc(OCCOCCNC(=O)c2n1)c3
O=C1NCCOCCOc2cc(ccn2)-c2csc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3csc(n3)-c3ccnc(CCCOCCCNC(=O)c2n1)c3
O=C1NCCCOCCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3csc(n3)-c3ccnc(CCCCOCCNC(=O)c2n1)c3
O=C1NCCOCCCCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc12)C1CCOCC1
CN1CCOCCNC(=O)c2nn(cc2NC(=O)c2csc(n2)-c2ccnc1c2)C1CCOCC1
CN1CCOCCNC(=O)c2nn(CCN3CCOCC3)cc2NC(=O)c2csc(n2)-c2ccnc1c2
CN1CCOCCNC(=O)c2nn(CCN3CCCCC3)cc2NC(=O)c2csc(n2)-c2ccnc1c2
CN1CCOCCNC(=O)c2nn(C)cc2NC(=O)c2csc(n2)-c2ccnc1c2
CN1CCCCNC(=O)c2nn(C)cc2NC(=O)c2csc(n2)-c2ccnc1c2
CN1CCCCNC(=O)c2nn(cc2NC(=O)c2csc(n2)-c2ccnc1c2)C1CCOCC1
O=C1CCc2cc(ccn2)-c2nc(cs2)C(=O)Nc2cn(nc2C(=O)NCCN1)C1CCOCC1
Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cnn(CCNC(=O)c2n1)c4)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cncc(CNC(=O)c2n1)c4)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(OCCNC(=O)c2n1)ccc4=O)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCCNC(=O)c2n1)ccc4=O)c3
O=C1NCCCOc2ccc(=O)n(Cc3cccc(c3)C(=O)Nc3cn(nc13)C1CCOCC1)n2
CC(C)(C)n1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3
O=C1NCCCOc2ccc(=O)n(Cc3cccc(n3)C(=O)Nc3cn(nc13)C1CCOCC1)n2
CC(C)(C)n1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3
OC1CNC(=O)c2nn(cc2NC(=O)c2cccc(Cn3nc(OC1)ccc3=O)c2)C1CCOCC1
Cn1cc2NC(=O)c3cccc(Cn4nc(OCC(O)CNC(=O)c2n1)ccc4=O)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4ccnc(CNC(=O)c2n1)c4)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCNC(=O)c2n1)c4)c3
Cc1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCn2n1)c4)c3
CC[C@H]1[C@@H](COc2cccc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@H]1F |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3ncco3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3nc(C)c[nH]3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3ccn(C)n3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(C)c3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3nc(C)co3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3nc(C)c(C)o3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3nc(CO)c[nH]3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3ncc(C)o3)c2cc1C(N)=O |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1ncc(NS(=O)(=O)c2ccccc2)c2cc(C(N)=O)c(OC(C)C)cc12 |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1ncc(NS(=O)(=O)c2cccnc2)c2cc(C(N)=O)c(OC(C)C)cc12 |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1ncc(NS(=O)(=O)c2c[nH]cn2)c2cc(C(N)=O)c(OC(C)C)cc12 |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1ncc(NS(=O)(=O)c2cn(C)cn2)c2cc(C(N)=O)c(OC(C)C)cc12 |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1ncc(NS(=O)(=O)c2cn(C)c(C)n2)c2cc(C(N)=O)c(OC(C)C)cc12 |r|
CC[C@H]1[C@@H](COc2ncc(N)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
CC(C)Oc1cc2c(OC[C@@H]3NC(=O)[C@@H](F)C33CC3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@H](F)C33CC3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3NC(=O)[C@H](F)C33CC3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@@H](F)C33CC3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@H](F)C33CC3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3NC(=O)[C@@H](F)C33CC3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3NC(=O)[C@H](F)C33CC3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)C33CC3)nccc2cc1C(N)=O |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1cncc2cc(C(N)=O)c(OC)cc12 |r|
CC[C@H]1[C@@H](COc2cncc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
CC[C@H]1[C@@H](COc2cccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
NC(=O)c1cc2ccnc3OC[C@@H]4C[C@H](COCCOc1cc23)C(=O)N4 |r|
COc1cc2c(OCC34CC3CC(=O)N4)nccc2cc1C(N)=O
COc1cc2c(OC[C@]34C[C@H]3CC(=O)N4)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@]34C[C@@H]3CC(=O)N4)nccc2cc1C(N)=O |r|
CC[C@H]1[C@@H](COc2nccc3nc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
CNC(=O)c1nc2ccnc(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)c2cc1OC |r|
Cn1cc(cn1)-c1cccc(c1)-c1ccc(cn1)-c1cnn(c1)C1CCNCC1
Cn1cc(cn1)-c1cccc(n1)-c1ccc(cn1)-c1cnn(c1)C1CCNCC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCN(C2)C(=O)OC(C)(C)C)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCNC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCCC(CNC(=O)OC(C)(C)C)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCCC(CN)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNCC2)n1
Cn1ccc(n1)-c1cnc(nc1OCC1CCCCO1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(OCC2(C)COC2)n1
Cn1ccc(n1)-c1cnc(nc1NCC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(OCC2COC2)n1
Cn1ccc(n1)-c1cnc(nc1NCC1CCNCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCOCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCN(CC2)S(C)(=O)=O)n1
CC(C)Nc1nc(ncc1-c1nnc(C)s1)-c1cccc(c1)-c1cnn(C)c1
CC(C)Nc1nc(ncc1-c1nnc(s1)C(=O)N1CC[C@@H](O)C1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cc1nnc(s1)-c1cnc(nc1NC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1
COC(=O)c1nnc(s1)-c1cnc(nc1NC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1
COC(=O)c1nnc(s1)-c1cnc(nc1NCC1CNC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2nnc(s2)C(=O)N2CC[C@@H](O)C2)c(NC2CCCNC2)n1 |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1)-c1cccc(c1)-c1cnn(C)c1 |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1)-c1cccc(n1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1cc(c(cn1)-c1cnn(c1)C1CCOCC1)C(F)(F)F
Cc1cc(ncc1-c1cnn(c1)C1CCOCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(N)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(O)=O)n1
Cn1ccc(n1)-c1cnc(nc1NC1CCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CN)(CCl)C2)n1 |(3.14,5.83,;1.65,6.23,;.74,4.98,;-.72,5.46,;-.72,7,;.75,7.48,;-2.06,4.7,;-3.39,5.47,;-4.72,4.7,;-4.73,3.16,;-3.4,2.39,;-2.06,3.16,;-3.4,.85,;-4.73,.08,;-4.74,-1.46,;-3.41,-2.23,;-3.41,-3.77,;-4.66,-4.67,;-4.19,-6.14,;-2.65,-6.14,;-1.88,-7.48,;-2.17,-4.68,;-2.07,-1.46,;-.74,-2.24,;.6,-1.47,;2.08,-1.87,;2.48,-.39,;2.89,1.1,;4.37,.7,;3.97,-.79,;4.74,-2.12,;1,.02,;-2.07,.08,)|
Cn1ccc(n1)-c1cnc(nc1NC1CC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCCC2)n1
Cn1ccc(n1)-c1cnc(nc1NC1CCCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCO)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCOCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCc2ccncc2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCOC2=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCCC2=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCN2CCCC2=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCOC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(F)(F)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(C)CCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@H](N)CC2)n1 |r,wU:24.26,27.30,(3.21,5.83,;1.72,6.23,;.81,4.98,;-.65,5.46,;-.65,7,;.82,7.48,;-1.99,4.7,;-3.32,5.47,;-4.65,4.7,;-4.66,3.16,;-3.32,2.39,;-1.99,3.16,;-3.33,.85,;-4.66,.08,;-4.67,-1.46,;-3.33,-2.23,;-3.34,-3.77,;-4.59,-4.67,;-4.11,-6.14,;-2.57,-6.14,;-1.8,-7.48,;-2.09,-4.68,;-2,-1.46,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-2,.08,)|
CN(CC1(F)COC1)c1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2C[C@H](O)C2)n1 |r,wU:24.26,26.29,(3.6,5.83,;2.11,6.23,;1.2,4.98,;-.26,5.46,;-.26,7,;1.21,7.48,;-1.59,4.7,;-2.93,5.47,;-4.26,4.7,;-4.27,3.16,;-2.93,2.39,;-1.6,3.16,;-2.94,.85,;-4.27,.08,;-4.28,-1.46,;-2.94,-2.23,;-2.95,-3.77,;-4.2,-4.67,;-3.72,-6.14,;-2.18,-6.14,;-1.41,-7.48,;-1.7,-4.68,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.38,;4.28,.39,;1.46,.02,;-1.61,.08,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](O)C2)n1 |r,wU:24.26,wD:26.29,(3.6,5.83,;2.11,6.23,;1.2,4.98,;-.26,5.46,;-.26,7,;1.21,7.48,;-1.59,4.7,;-2.93,5.47,;-4.26,4.7,;-4.27,3.16,;-2.93,2.39,;-1.6,3.16,;-2.94,.85,;-4.27,.08,;-4.28,-1.46,;-2.94,-2.23,;-2.95,-3.77,;-4.2,-4.67,;-3.72,-6.14,;-2.18,-6.14,;-1.41,-7.48,;-1.7,-4.68,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;1.46,.02,;2.94,-.38,;4.28,.39,;2.54,-1.87,;-1.61,.08,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(F)(F)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](C2)S(C)(=O)=O)n1 |r,wU:24.26,26.31,(2.93,5.83,;1.45,6.23,;.54,4.98,;-.93,5.46,;-.92,7,;.54,7.48,;-2.26,4.7,;-3.59,5.47,;-4.93,4.7,;-4.93,3.16,;-3.6,2.39,;-2.26,3.16,;-3.6,.85,;-4.94,.08,;-4.94,-1.46,;-3.61,-2.23,;-3.61,-3.77,;-4.86,-4.67,;-4.39,-6.14,;-2.85,-6.14,;-2.08,-7.48,;-2.37,-4.68,;-2.28,-1.46,;-.94,-2.24,;.39,-1.47,;.79,.02,;2.28,-.38,;1.88,-1.86,;3.61,.4,;4.94,-.37,;2.84,1.73,;4.38,1.73,;-2.27,.08,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(F)C2)n1 |(3.6,5.83,;2.11,6.23,;1.21,4.98,;-.26,5.46,;-.25,7,;1.21,7.48,;-1.59,4.7,;-2.93,5.47,;-4.26,4.7,;-4.26,3.16,;-2.93,2.39,;-1.6,3.16,;-2.94,.85,;-4.27,.08,;-4.27,-1.46,;-2.94,-2.23,;-2.95,-3.77,;-4.19,-4.67,;-3.72,-6.14,;-2.18,-6.14,;-1.41,-7.48,;-1.7,-4.68,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;1.45,.02,;2.94,-.38,;4.27,.4,;2.55,-1.86,;-1.6,.08,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCN2CCOCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)COC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(CO)CCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H](O)CO)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCS(=O)(=O)CC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@@H](O)CO)n1 |r|
CC(=O)NCCNc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCNC2=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CNCCO2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC(=O)NC2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@@H]2CCC(=O)N2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2C[C@H](N)C2)n1 |r,wU:24.26,26.29,(3.6,5.83,;2.11,6.23,;1.2,4.98,;-.26,5.46,;-.26,7,;1.21,7.48,;-1.6,4.7,;-2.93,5.47,;-4.26,4.7,;-4.27,3.16,;-2.94,2.39,;-1.6,3.16,;-2.94,.85,;-4.28,.08,;-4.28,-1.46,;-2.95,-2.23,;-2.95,-3.77,;-4.2,-4.67,;-3.73,-6.14,;-2.19,-6.14,;-1.42,-7.48,;-1.71,-4.68,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.39,;4.28,.38,;1.46,.02,;-1.61,.08,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2COC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CCNC2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3(CC(N)C3)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(N)(C2)CC3)n1 |(3.28,5.83,;1.79,6.23,;.88,4.98,;-.58,5.46,;-.58,7,;.89,7.48,;-1.91,4.7,;-3.25,5.47,;-4.58,4.7,;-4.59,3.16,;-3.25,2.39,;-1.92,3.16,;-3.26,.85,;-4.59,.08,;-4.6,-1.46,;-3.26,-2.23,;-3.27,-3.77,;-4.52,-4.67,;-4.04,-6.14,;-2.5,-6.14,;-1.73,-7.48,;-2.02,-4.68,;-1.93,-1.46,;-.6,-2.24,;.74,-1.47,;2.2,-1.95,;3.11,-.7,;4.6,-1.1,;1.83,-.38,;2.2,.55,;.74,.07,;-1.93,.08,)|
Cn1ccc(n1)-c1cnc(nc1NCCCN1CCOC1=O)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2ccn(C)n2)c(NCCCO)n1
Cn1ccc(n1)-c1cnc(nc1NCCN1CCOCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NCCN1CCCC1=O)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2ccn(C)n2)c(NCC2(C)CCC2)n1
Cn1ccc(n1)-c1cnc(nc1NCCCN1CCCC1=O)-c1cccc(c1)-c1cnn(C)c1
CC(=O)NCCNc1nc(ncc1-c1ccn(C)n1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NCC1CCNC(=O)C1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NCCCN1CCOCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNC(=O)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2[C@@H]3CNC[C@H]23)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCN2CCOC2=O)n1
Cn1ccc(n1)-c1cnc(nc1N[C@H]1C[C@H](C1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,15.19,(-2.08,-7.48,;-2.85,-6.14,;-4.39,-6.14,;-4.86,-4.67,;-3.62,-3.77,;-2.37,-4.68,;-3.61,-2.23,;-4.95,-1.46,;-4.94,.08,;-3.61,.85,;-2.27,.08,;-2.28,-1.46,;-.95,-2.24,;.39,-1.47,;.79,.02,;2.28,-.39,;1.88,-1.87,;3.61,.38,;4.95,-.39,;2.84,1.72,;4.38,1.72,;-3.6,2.39,;-4.93,3.16,;-4.93,4.7,;-3.6,5.47,;-2.26,4.7,;-2.27,3.16,;-.93,5.46,;-.92,7,;.54,7.48,;1.44,6.23,;2.93,5.83,;.54,4.98,)|
Cn1ccc(n1)-c1cnc(nc1NC1CC(F)C1)-c1cccc(c1)-c1cnn(C)c1 |(-1.42,-7.48,;-2.19,-6.14,;-3.73,-6.14,;-4.2,-4.67,;-2.95,-3.77,;-1.71,-4.68,;-2.95,-2.23,;-4.28,-1.46,;-4.28,.08,;-2.94,.85,;-1.61,.08,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.39,;4.28,.38,;1.46,.02,;-2.94,2.39,;-4.27,3.16,;-4.26,4.7,;-2.93,5.47,;-1.6,4.7,;-1.6,3.16,;-.26,5.46,;-.26,7,;1.21,7.48,;2.11,6.23,;3.6,5.83,;1.2,4.98,)|
Cn1ccc(n1)-c1cnc(nc1NCC1CC(F)(F)C1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NC1CC(O)C1)-c1cccc(c1)-c1cnn(C)c1 |(-1.41,-7.48,;-2.18,-6.14,;-3.72,-6.14,;-4.2,-4.67,;-2.95,-3.77,;-1.7,-4.68,;-2.94,-2.23,;-4.28,-1.46,;-4.27,.08,;-2.94,.85,;-1.61,.08,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.38,;4.28,.39,;1.46,.02,;-2.93,2.39,;-4.27,3.16,;-4.26,4.7,;-2.93,5.47,;-1.59,4.7,;-1.6,3.16,;-.26,5.46,;-.26,7,;1.21,7.48,;2.11,6.23,;3.6,5.83,;1.2,4.98,)|
Cn1ccc(n1)-c1cnc(nc1NC[C@@H](O)CO)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1ccc(n1)-c1cnc(nc1NCCN1CCS(=O)(=O)CC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2CCNC2)n1
CN1C(=O)CC[C@]11CC[C@@H](CC1)n1cc(cn1)-c1cnc(nc1NCC1CCNCC1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:9.13,6.6,(-6.28,-7.79,;-4.94,-8.56,;-4.94,-10.1,;-6.28,-10.87,;-3.48,-10.57,;-2.57,-9.33,;-3.48,-8.08,;-1.94,-8.08,;-1.17,-6.75,;-1.94,-5.41,;-3.48,-5.41,;-4.25,-6.75,;-1.17,-4.08,;-1.64,-2.61,;-.39,-1.71,;.85,-2.62,;.37,-4.08,;-.39,-.17,;-1.72,.6,;-1.72,2.14,;-.38,2.91,;.95,2.13,;.94,.59,;2.28,-.18,;2.28,-1.72,;3.61,-2.49,;3.61,-4.03,;4.94,-4.8,;6.28,-4.03,;6.28,-2.49,;4.94,-1.72,;-.38,4.45,;-1.71,5.22,;-1.71,6.76,;-.37,7.53,;.96,6.75,;.96,5.21,;2.29,7.52,;3.76,7.04,;4.67,8.29,;3.76,9.53,;4.53,10.87,;2.3,9.06,)|
CN1C(=O)CC[C@]11CC[C@@H](CC1)n1cc(cn1)-c1cnc(nc1NCC1CCN(C)CC1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:9.13,6.6,(-6.94,-7.79,;-5.61,-8.56,;-5.61,-10.1,;-6.94,-10.87,;-4.15,-10.57,;-3.24,-9.33,;-4.15,-8.08,;-2.61,-8.08,;-1.84,-6.75,;-2.61,-5.41,;-4.15,-5.41,;-4.92,-6.75,;-1.84,-4.08,;-2.31,-2.61,;-1.06,-1.71,;.18,-2.62,;-.3,-4.08,;-1.06,-.17,;-2.39,.6,;-2.39,2.14,;-1.05,2.91,;.28,2.13,;.28,.59,;1.61,-.18,;1.61,-1.72,;2.94,-2.49,;2.94,-4.03,;4.28,-4.8,;5.61,-4.03,;6.94,-4.8,;5.61,-2.49,;4.28,-1.72,;-1.05,4.45,;-2.38,5.22,;-2.37,6.76,;-1.04,7.53,;.29,6.75,;.29,5.21,;1.63,7.52,;3.09,7.04,;4,8.29,;3.1,9.53,;3.87,10.87,;1.63,9.06,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCCN)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCN)n1
Cn1ccc(n1)-c1cnc(nc1NC1CC(F)(F)C1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NCCN1CCOC1=O)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2(CO)COC2)n1
Cn1ccc(n1)-c1cnc(nc1NC1(CO)COC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@@H]2O)n1 |r|
Cn1ccc(n1)-c1cnc(nc1N[C@H]1CCC[C@@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCO)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2ccn(C)n2)c(NCCCCO)n1
Cn1ccc(n1)-c1cnc(nc1NC1CC2(CC(N)C2)C1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NC1CC(CN)(CCl)C1)-c1cccc(c1)-c1cnn(C)c1 |(-1.69,-7.48,;-2.46,-6.14,;-4,-6.14,;-4.48,-4.67,;-3.23,-3.77,;-1.98,-4.68,;-3.22,-2.23,;-4.56,-1.46,;-4.55,.08,;-3.22,.85,;-1.88,.08,;-1.89,-1.46,;-.56,-2.24,;.78,-1.47,;2.27,-1.87,;2.67,-.39,;3.07,1.1,;4.56,.7,;4.15,-.79,;4.55,-2.28,;1.18,.02,;-3.21,2.39,;-4.54,3.16,;-4.54,4.7,;-3.21,5.47,;-1.87,4.7,;-1.88,3.16,;-.54,5.46,;-.54,7,;.93,7.48,;1.83,6.23,;3.37,6.23,;.92,4.98,)|
Cn1ccc(n1)-c1cnc(nc1NCCO)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCCO)n1
Cn1ccc(n1)-c1cnc(nc1NC1CCC(=O)NC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(=O)NC2)n1
Cn1ccc(n1)-c1cnc(nc1NC[C@H]1CCNC1)-c1cccc(c1)-c1cnn(C)c1 |r|
CN1CCOC(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2nnc(s2)C(=O)N2CC[C@@H](O)C2)c(NCC2CNC2)n1 |r|
Cn1ccc(n1)-c1cnc(nc1N[C@@H]1CC[C@H](N)C1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@H](N)C2)n1 |r|
CC(=O)NCCCNc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCC(O)CC2)n1
Cn1ccc(n1)-c1cnc(nc1N[C@@H]1CC[C@H](N)CC1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,16.18,(-1.81,-7.48,;-2.58,-6.14,;-4.12,-6.14,;-4.59,-4.67,;-3.34,-3.77,;-2.1,-4.68,;-3.34,-2.23,;-4.67,-1.46,;-4.66,.08,;-3.33,.85,;-2,.08,;-2,-1.46,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-3.33,2.39,;-4.66,3.16,;-4.65,4.7,;-3.32,5.47,;-1.99,4.7,;-1.99,3.16,;-.65,5.46,;-.65,7,;.82,7.48,;1.72,6.23,;3.26,6.23,;.81,4.98,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)CCNCC2(C)C)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CNC[C@H]2O)n1 |r|
Cn1ccc(n1)-c1cnc(nc1NCC1(O)CCNCC1(C)C)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NCC1CNCCO1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NC[C@H]1CCNC[C@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1ccc(n1)-c1cnc(nc1N[C@H]1CCNC1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(OCC2CCCO2)n1
Cn1ccc(n1)-c1cnc(nc1NC1CCOC1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NC[C@H](O)CO)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCNC2)n1 |r|
Cn1ccc(n1)-c1cnc(nc1NCC1CCCC(O)C1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCC(O)C2)n1
Cn1ccc(n1)-c1cnc(nc1N[C@@H]1C[C@H](N)C1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,15.17,(-1.42,-7.48,;-2.19,-6.14,;-3.73,-6.14,;-4.2,-4.67,;-2.95,-3.77,;-1.71,-4.68,;-2.95,-2.23,;-4.28,-1.46,;-4.28,.08,;-2.94,.85,;-1.61,.08,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.39,;4.28,.38,;1.46,.02,;-2.94,2.39,;-4.27,3.16,;-4.26,4.7,;-2.93,5.47,;-1.6,4.7,;-1.6,3.16,;-.26,5.46,;-.26,7,;1.21,7.48,;2.11,6.23,;3.6,5.83,;1.2,4.98,)|
Cn1ccc(n1)-c1cnc(nc1NC1CCCCNC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CCNC[C@H]2O)n1 |r|
Cc1nnc(s1)-c1cnc(nc1NCCN1CCS(=O)(=O)CC1)-c1cccc(c1)-c1cnn(C)c1
Cc1nnc(s1)-c1cnc(nc1NC1CCC(N)CC1)-c1cccc(c1)-c1cnn(C)c1 |(-5.09,-8.14,;-4.31,-6.81,;-2.77,-6.81,;-2.29,-5.35,;-3.53,-4.44,;-4.78,-5.34,;-3.53,-2.9,;-4.86,-2.13,;-4.86,-.59,;-3.52,.18,;-2.19,-.59,;-2.2,-2.13,;-.86,-2.91,;.62,-2.51,;1.71,-3.6,;3.2,-3.2,;3.6,-1.71,;5.09,-1.31,;2.51,-.62,;1.02,-1.02,;-3.52,1.72,;-4.85,2.49,;-4.85,4.03,;-3.51,4.8,;-2.18,4.03,;-2.18,2.49,;-.85,4.79,;.62,4.31,;1.53,5.56,;.62,6.8,;1.39,8.14,;-.84,6.33,)|
Cc1nnc(s1)-c1cnc(nc1N[C@H]1CC[C@H](CC1)NS(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,16.21,(-6.37,-8.14,;-5.6,-6.81,;-4.06,-6.81,;-3.58,-5.35,;-4.82,-4.44,;-6.07,-5.34,;-4.82,-2.9,;-6.15,-2.13,;-6.15,-.59,;-4.81,.18,;-3.48,-.59,;-3.48,-2.13,;-2.15,-2.91,;-.66,-2.51,;-.27,-1.02,;1.22,-.62,;2.31,-1.71,;1.91,-3.2,;.42,-3.6,;3.8,-1.31,;4.89,-2.4,;5.98,-3.49,;6.37,-2,;4.49,-3.89,;-4.81,1.72,;-6.14,2.49,;-6.14,4.03,;-4.8,4.8,;-3.47,4.03,;-3.47,2.49,;-2.13,4.79,;-.67,4.31,;.24,5.56,;-.66,6.8,;.11,8.14,;-2.13,6.33,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CNC[C@@H](F)C2)n1 |r|
Cn1ccc(n1)-c1cnc(nc1N[C@@H]1CCC[C@@H](O)[C@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1ccc(n1)-c1cnc(nc1O[C@@H]1CCC[C@@H](N)[C@@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCC[C@@H](O)[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(O[C@@H]2CCC[C@@H](N)[C@@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC(C)(C)O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCC(F)(F)CC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCOCC2)n1
Cn1ccc(n1)-c1cnc(nc1NC1CCOCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCC(C)(C)O)n1
Cn1ccc(n1)-c1cnc(nc1NCCCC(C)(C)O)-c1cccc(c1)-c1cnn(C)c1
CN(CC1CC(F)(F)C1)c1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
CN(CC1CC(F)(F)C1)c1nc(ncc1-c1ccn(C)n1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:27.30,wD:24.26,(3.19,5.84,;1.7,6.23,;.8,4.99,;-.67,5.46,;-.67,7,;.8,7.48,;-2,4.69,;-3.33,5.46,;-4.67,4.69,;-4.67,3.15,;-3.33,2.38,;-2,3.15,;-3.33,.84,;-4.67,.07,;-4.67,-1.47,;-3.33,-2.24,;-3.33,-3.78,;-4.58,-4.68,;-4.1,-6.15,;-2.56,-6.15,;-1.79,-7.48,;-2.09,-4.68,;-2,-1.47,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-2,.07,)|
Cn1ccc(n1)-c1cnc(nc1NCC1CCNC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNC2)n1
Cc1nnc(s1)-c1cnc(nc1NCCN1CCOCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1N[C@H]1CC[C@H](O)CC1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:16.18,wD:13.14,(-1.79,-7.48,;-2.56,-6.15,;-4.1,-6.15,;-4.58,-4.68,;-3.33,-3.78,;-2.09,-4.68,;-3.33,-2.24,;-4.67,-1.47,;-4.67,.07,;-3.33,.84,;-2,.07,;-2,-1.47,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-3.33,2.38,;-4.67,3.15,;-4.67,4.69,;-3.33,5.46,;-2,4.69,;-2,3.15,;-.67,5.46,;-.67,7,;.8,7.48,;1.7,6.23,;3.19,5.84,;.8,4.99,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCNCC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.30,wD:24.26,(3.19,5.84,;1.7,6.23,;.8,4.99,;-.67,5.46,;-.67,7,;.8,7.48,;-2,4.69,;-3.33,5.46,;-4.67,4.69,;-4.67,3.15,;-3.33,2.38,;-2,3.15,;-3.33,.84,;-4.67,.07,;-4.67,-1.47,;-3.33,-2.24,;-3.33,-3.78,;-4.58,-4.68,;-4.1,-6.15,;-2.56,-6.15,;-1.79,-7.48,;-2.09,-4.68,;-2,-1.47,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-2,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC3CNCC23)n1
Cc1nnc(s1)-c1cnc(nc1NC1CCN(CC1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NC1C2CCCC1CC(N)C2)-c1cccc(c1)-c1cnn(C)c1 |THB:21:20:13:15.17.16,12:13:15.17.16:19.22.20,(-1.52,-7.48,;-2.29,-6.15,;-3.83,-6.15,;-4.3,-4.68,;-3.06,-3.78,;-1.81,-4.68,;-3.06,-2.24,;-4.39,-1.47,;-4.39,.07,;-3.06,.84,;-1.72,.07,;-1.72,-1.47,;-.39,-2.24,;.94,-1.47,;1.34,.02,;2.88,.02,;4.2,.81,;3.8,-.67,;2.26,-.67,;2.26,.87,;3.06,2.19,;4.39,2.96,;1.33,1.79,;-3.06,2.38,;-4.39,3.15,;-4.39,4.69,;-3.06,5.46,;-1.72,4.69,;-1.72,3.15,;-.39,5.46,;-.39,7,;1.08,7.48,;1.98,6.23,;3.47,5.84,;1.08,4.99,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2C3CCCC2CC(N)C3)n1 |THB:32:31:24:26.28.27,23:24:26.28.27:30.33.31,(3.47,5.84,;1.98,6.23,;1.08,4.99,;-.39,5.46,;-.39,7,;1.08,7.48,;-1.72,4.69,;-3.06,5.46,;-4.39,4.69,;-4.39,3.15,;-3.06,2.38,;-1.72,3.15,;-3.06,.84,;-4.39,.07,;-4.39,-1.47,;-3.06,-2.24,;-3.06,-3.78,;-4.3,-4.68,;-3.83,-6.15,;-2.29,-6.15,;-1.52,-7.48,;-1.81,-4.68,;-1.72,-1.47,;-.39,-2.24,;.94,-1.47,;1.34,.02,;2.88,.02,;4.2,.81,;3.8,-.67,;2.26,-.67,;2.26,.87,;3.06,2.19,;4.39,2.96,;1.33,1.79,;-1.72,.07,)|
Cn1ccc(n1)-c1cnc(nc1NC1CCC2CNCC12)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@@H]2CC[C@H](O)CC2)n1 |r,wU:25.27,28.31,(2.52,5.84,;1.04,6.23,;.13,4.99,;-1.33,5.46,;-1.33,7,;.13,7.48,;-2.67,4.69,;-4,5.46,;-5.33,4.69,;-5.33,3.15,;-4,2.38,;-2.67,3.15,;-4,.84,;-5.33,.07,;-5.33,-1.47,;-4,-2.24,;-4,-3.78,;-5.25,-4.68,;-4.77,-6.15,;-3.23,-6.15,;-2.46,-7.48,;-2.76,-4.68,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;1.33,-2.24,;1.33,-3.78,;2.67,-4.55,;4,-3.78,;5.33,-4.55,;4,-2.24,;2.67,-1.47,;-2.67,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.31,wD:25.27,(2.52,5.84,;1.04,6.23,;.13,4.99,;-1.33,5.46,;-1.33,7,;.13,7.48,;-2.67,4.69,;-4,5.46,;-5.33,4.69,;-5.33,3.15,;-4,2.38,;-2.67,3.15,;-4,.84,;-5.33,.07,;-5.33,-1.47,;-4,-2.24,;-4,-3.78,;-5.25,-4.68,;-4.77,-6.15,;-3.23,-6.15,;-2.46,-7.48,;-2.76,-4.68,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;1.33,-2.24,;1.33,-3.78,;2.67,-4.55,;4,-3.78,;5.33,-4.55,;4,-2.24,;2.67,-1.47,;-2.67,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCN(C2)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2C3CCCC2CC(C3)NS(C)(=O)=O)n1 |THB:33:31:24:26.28.27,23:24:26.28.27:30.32.31,(2.13,5.84,;.65,6.23,;-.26,4.99,;-1.72,5.46,;-1.72,7,;-.26,7.48,;-3.06,4.69,;-4.39,5.46,;-5.72,4.69,;-5.72,3.15,;-4.39,2.38,;-3.06,3.15,;-4.39,.84,;-5.72,.07,;-5.72,-1.47,;-4.39,-2.24,;-4.39,-3.78,;-5.64,-4.68,;-5.16,-6.15,;-3.62,-6.15,;-2.85,-7.48,;-3.14,-4.68,;-3.06,-1.47,;-1.72,-2.24,;-.39,-1.47,;.01,.02,;1.55,.02,;2.87,.81,;2.47,-.67,;.93,-.67,;.93,.87,;1.72,2.19,;0,1.79,;3.06,2.96,;4.39,2.19,;4.39,.65,;5.72,2.96,;5.72,1.42,;-3.06,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3(C2)CC(C3)NS(C)(=O)=O)n1 |(1.3,5.84,;-.18,6.23,;-1.09,4.99,;-2.55,5.46,;-2.55,7,;-1.09,7.48,;-3.89,4.69,;-5.22,5.46,;-6.55,4.69,;-6.55,3.15,;-5.22,2.38,;-3.89,3.15,;-5.22,.84,;-6.55,.07,;-6.55,-1.47,;-5.22,-2.24,;-5.22,-3.78,;-6.47,-4.68,;-5.99,-6.15,;-4.45,-6.15,;-3.68,-7.48,;-3.97,-4.68,;-3.89,-1.47,;-2.55,-2.24,;-1.22,-1.47,;.27,-1.86,;.67,-.38,;-.82,.02,;2.15,-.78,;2.55,.71,;1.07,1.11,;3.89,1.48,;5.22,.71,;5.22,-.83,;6.55,1.48,;6.55,-.06,;-3.89,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@@H](O)C2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@H](O)C2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CC[C@@H](O)C2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CC[C@H](O)C2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCOC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(O)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC3CN(CC23)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3(C2)CCN(C3)S(C)(=O)=O)n1 |(1.67,5.84,;.18,6.23,;-.72,4.99,;-2.19,5.46,;-2.19,7,;-.72,7.48,;-3.52,4.69,;-4.86,5.46,;-6.19,4.69,;-6.19,3.15,;-4.86,2.38,;-3.52,3.15,;-4.86,.84,;-6.19,.07,;-6.19,-1.47,;-4.86,-2.24,;-4.86,-3.78,;-6.1,-4.68,;-5.63,-6.15,;-4.09,-6.15,;-3.32,-7.48,;-3.61,-4.68,;-3.52,-1.47,;-2.19,-2.24,;-.86,-1.47,;.63,-1.86,;1.03,-.38,;-.46,.02,;1.51,1.09,;3.05,1.09,;3.52,-.38,;2.28,-1.28,;4.86,-1.15,;5.63,-2.48,;6.19,-.38,;4.86,.39,;-3.52,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCN(C2)S(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCN(C2)S(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CN(CCO2)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2[C@@H]3CN(C[C@H]23)S(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CCN(C2)S(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2CCN(C2)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@@H](C2)NS(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCCNS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCCCN(C2)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCNS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CO)(CO)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(O)C2)n1 |(2.91,5.84,;1.43,6.23,;.52,4.99,;-.94,5.46,;-.94,7,;.52,7.48,;-2.28,4.69,;-3.61,5.46,;-4.94,4.69,;-4.94,3.15,;-3.61,2.38,;-2.28,3.15,;-3.61,.84,;-4.94,.07,;-4.94,-1.47,;-3.61,-2.24,;-3.61,-3.78,;-4.86,-4.68,;-4.38,-6.15,;-2.84,-6.15,;-2.07,-7.48,;-2.36,-4.68,;-2.28,-1.47,;-.94,-2.24,;.39,-1.47,;1.72,-2.24,;2.12,-3.72,;3.61,-3.33,;4.94,-4.1,;3.21,-1.84,;-2.28,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:27.33,wD:24.26,(1.86,5.84,;.37,6.23,;-.54,4.99,;-2,5.46,;-2,7,;-.54,7.48,;-3.33,4.69,;-4.67,5.46,;-6,4.69,;-6,3.15,;-4.67,2.38,;-3.33,3.15,;-4.67,.84,;-6,.07,;-6,-1.47,;-4.67,-2.24,;-4.67,-3.78,;-5.91,-4.68,;-5.44,-6.15,;-3.9,-6.15,;-3.13,-7.48,;-3.42,-4.68,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;.67,-2.24,;2,-1.47,;2,.07,;.67,.84,;-.67,.07,;3.33,.84,;4.67,.07,;6,.84,;3.9,-1.26,;5.44,-1.26,;-3.33,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](C2)NS(C)(=O)=O)n1 |r,wU:24.26,26.31,(2.25,5.84,;.76,6.23,;-.15,4.99,;-1.61,5.46,;-1.61,7,;-.15,7.48,;-2.94,4.69,;-4.28,5.46,;-5.61,4.69,;-5.61,3.15,;-4.28,2.38,;-2.94,3.15,;-4.28,.84,;-5.61,.07,;-5.61,-1.47,;-4.28,-2.24,;-4.28,-3.78,;-5.52,-4.68,;-5.05,-6.15,;-3.51,-6.15,;-2.74,-7.48,;-3.03,-4.68,;-2.94,-1.47,;-1.61,-2.24,;-.28,-1.47,;.12,.02,;1.61,-.38,;1.21,-1.86,;2.94,.39,;4.28,-.38,;5.61,.39,;3.51,-1.71,;5.05,-1.71,;-2.94,.07,)|
Cc1nnc(s1)-c1cnc(nc1NCCNS(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](N)C2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CCC(N)(CC2)CC3)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CCC(CC2)(CC3)NS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CN)C2)n1 |(2.91,5.84,;1.43,6.23,;.52,4.99,;-.94,5.46,;-.94,7,;.52,7.48,;-2.28,4.69,;-3.61,5.46,;-4.94,4.69,;-4.94,3.15,;-3.61,2.38,;-2.28,3.15,;-3.61,.84,;-4.94,.07,;-4.94,-1.47,;-3.61,-2.24,;-3.61,-3.78,;-4.86,-4.68,;-4.38,-6.15,;-2.84,-6.15,;-2.07,-7.48,;-2.36,-4.68,;-2.28,-1.47,;-.94,-2.24,;.39,-1.47,;1.88,-1.86,;2.28,-.38,;3.61,.39,;4.94,-.38,;.79,.02,;-2.28,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3CC2N(C3)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](C2)NS(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC2CNCC2C1
Cc1nnc(s1)-c1cnc(nc1NCC1CN(C1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3CCC2N3)n1 |TLB:23:24:28.27:30|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(CN)CC2)n1 |(2.52,5.84,;1.04,6.23,;.13,4.99,;-1.33,5.46,;-1.33,7,;.13,7.48,;-2.67,4.69,;-4,5.46,;-5.33,4.69,;-5.33,3.15,;-4,2.38,;-2.67,3.15,;-4,.84,;-5.33,.07,;-5.33,-1.47,;-4,-2.24,;-4,-3.78,;-5.25,-4.68,;-4.77,-6.15,;-3.23,-6.15,;-2.46,-7.48,;-2.76,-4.68,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;1.33,-2.24,;2.67,-1.47,;2.67,.07,;4,.84,;5.33,.07,;1.33,.84,;,.07,;-2.67,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2C[C@H](CNS(C)(=O)=O)C2)n1 |r,wD:24.26,26.29,(1.58,5.84,;.09,6.23,;-.81,4.99,;-2.28,5.46,;-2.28,7,;-.81,7.48,;-3.61,4.69,;-4.94,5.46,;-6.28,4.69,;-6.28,3.15,;-4.94,2.38,;-3.61,3.15,;-4.94,.84,;-6.28,.07,;-6.28,-1.47,;-4.94,-2.24,;-4.94,-3.78,;-6.19,-4.68,;-5.71,-6.15,;-4.17,-6.15,;-3.4,-7.48,;-3.7,-4.68,;-3.61,-1.47,;-2.28,-2.24,;-.94,-1.47,;-.54,.02,;.94,-.38,;2.28,.39,;3.61,-.38,;4.94,.39,;6.28,-.38,;4.17,1.73,;5.71,1.73,;.54,-1.86,;-3.61,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](CNS(C)(=O)=O)C2)n1 |r,wU:24.26,wD:26.29,(1.58,5.84,;.09,6.23,;-.81,4.99,;-2.28,5.46,;-2.28,7,;-.81,7.48,;-3.61,4.69,;-4.94,5.46,;-6.28,4.69,;-6.28,3.15,;-4.94,2.38,;-3.61,3.15,;-4.94,.84,;-6.28,.07,;-6.28,-1.47,;-4.94,-2.24,;-4.94,-3.78,;-6.19,-4.68,;-5.71,-6.15,;-4.17,-6.15,;-3.4,-7.48,;-3.7,-4.68,;-3.61,-1.47,;-2.28,-2.24,;-.94,-1.47,;-.54,.02,;.94,-.38,;2.28,.39,;3.61,-.38,;4.94,.39,;6.28,-.38,;4.17,1.73,;5.71,1.73,;.54,-1.86,;-3.61,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](N)C2)n1 |r,wU:24.26,wD:26.29,(3.58,5.84,;2.09,6.23,;1.19,4.99,;-.28,5.46,;-.28,7,;1.19,7.48,;-1.61,4.69,;-2.94,5.46,;-4.28,4.69,;-4.28,3.15,;-2.94,2.38,;-1.61,3.15,;-2.94,.84,;-4.28,.07,;-4.28,-1.47,;-2.94,-2.24,;-2.94,-3.78,;-4.19,-4.68,;-3.71,-6.15,;-2.17,-6.15,;-1.4,-7.48,;-1.7,-4.68,;-1.61,-1.47,;-.28,-2.24,;1.06,-1.47,;1.46,.02,;2.94,-.38,;4.28,.39,;2.55,-1.86,;-1.61,.07,)|
CC(=O)NCC1CCC(CC1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |(6.67,.07,;5.33,.84,;5.33,2.38,;4,.07,;2.67,.84,;1.33,.07,;1.33,-1.47,;,-2.24,;-1.33,-1.47,;-1.33,.07,;,.84,;-2.67,-2.24,;-4,-1.47,;-4,.07,;-5.33,.84,;-6.67,.07,;-6.67,-1.47,;-5.33,-2.24,;-5.33,-3.78,;-6.58,-4.68,;-6.1,-6.15,;-4.56,-6.15,;-3.79,-7.48,;-4.09,-4.68,;-5.33,2.38,;-6.67,3.15,;-6.67,4.69,;-5.33,5.46,;-4,4.69,;-4,3.15,;-2.67,5.46,;-2.67,7,;-1.2,7.48,;-.3,6.23,;1.19,5.84,;-1.2,4.99,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3CCC2N3S(C)(=O)=O)n1 |TLB:31:30:28.27:24.25,23:24:28.27:30|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCC2N)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(CNS(C)(=O)=O)CC2)n1 |(1.21,5.83,;-.28,6.23,;-1.19,4.98,;-2.65,5.46,;-2.65,7,;-1.18,7.48,;-3.99,4.7,;-5.32,5.47,;-6.65,4.7,;-6.66,3.16,;-5.33,2.39,;-3.99,3.16,;-5.33,.85,;-6.66,.08,;-6.67,-1.46,;-5.34,-2.23,;-5.34,-3.77,;-6.59,-4.67,;-6.12,-6.14,;-4.58,-6.14,;-3.81,-7.48,;-4.1,-4.68,;-4,-1.46,;-2.67,-2.24,;-1.33,-1.47,;-0,-2.25,;1.33,-1.47,;1.33,.07,;2.67,.84,;4,.07,;5.34,.84,;6.67,.06,;4.57,2.17,;6.11,2.17,;-0,.85,;-1.33,.07,;-4,.08,)|
CC(=O)N[C@H]1C[C@@H](C1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:6.8,wD:4.3,(5.61,.38,;4.28,-.39,;4.27,-1.93,;2.95,.38,;1.61,-.38,;.12,.02,;-.28,-1.47,;1.21,-1.87,;-1.61,-2.24,;-2.95,-1.46,;-2.94,.08,;-4.27,.85,;-5.61,.08,;-5.61,-1.46,;-4.28,-2.23,;-4.28,-3.77,;-5.53,-4.67,;-5.06,-6.14,;-3.52,-6.14,;-2.75,-7.48,;-3.04,-4.68,;-4.27,2.39,;-5.6,3.16,;-5.6,4.7,;-4.26,5.47,;-2.93,4.7,;-2.93,3.16,;-1.6,5.46,;-1.59,7,;-.13,7.48,;.78,6.23,;2.26,5.83,;-.13,4.98,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCC2NS(C)(=O)=O)n1
CC(=O)NC1CCC(CC1)Nc1nc(ncc1-c1nnc(C)s1)-c1cccc(c1)-c1cnn(C)c1 |(6.11,.16,;4.78,-.61,;4.77,-2.15,;3.45,.17,;2.11,-.6,;2.11,-2.14,;.77,-2.92,;-.56,-2.14,;-.56,-.6,;.77,.18,;-1.89,-2.91,;-3.22,-2.13,;-3.22,-.59,;-4.55,.18,;-5.89,-.59,;-5.89,-2.13,;-4.56,-2.9,;-4.56,-4.44,;-3.32,-5.35,;-3.8,-6.81,;-5.34,-6.81,;-6.11,-8.14,;-5.81,-5.34,;-4.55,1.72,;-5.88,2.49,;-5.88,4.03,;-4.54,4.8,;-3.21,4.03,;-3.21,2.49,;-1.88,4.79,;-.41,4.31,;.5,5.56,;-.41,6.81,;.36,8.14,;-1.87,6.33,)|
CC(=O)N[C@@H]1CCC[C@@H]1CNc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@H](O)[C@@H]2O)n1 |r|
Cc1nnc(s1)-c1cnc(nc1NC1CCC(CC1)NS(=O)(=O)C1CC1)-c1cccc(c1)-c1cnn(C)c1 |(-6.88,-8.14,;-6.11,-6.81,;-4.57,-6.81,;-4.09,-5.35,;-5.33,-4.44,;-6.58,-5.34,;-5.33,-2.9,;-6.66,-2.13,;-6.66,-.59,;-5.32,.18,;-3.99,-.59,;-3.99,-2.13,;-2.66,-2.91,;-1.33,-2.14,;0,-2.92,;1.34,-2.14,;1.34,-.6,;0,.18,;-1.33,-.6,;2.68,.17,;4.01,-.6,;4.01,-2.14,;5.34,.17,;5.34,-1.37,;6.11,-2.71,;6.88,-1.37,;-5.32,1.72,;-6.65,2.49,;-6.65,4.03,;-5.31,4.8,;-3.98,4.03,;-3.98,2.49,;-2.64,4.79,;-1.18,4.31,;-.27,5.56,;-1.18,6.81,;-.41,8.14,;-2.64,6.33,)|
CC(C)Nc1nc(ncc1-c1nnc(s1)C1CCNCC1)-c1cccc(c1)-c1cnn(C)c1
CC(=O)NC[C@H]1C[C@H](C1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:7.9,5.4,(6.28,-.4,;4.95,.38,;4.95,1.92,;3.61,-.39,;2.28,.38,;.94,-.39,;.54,-1.87,;-.94,-1.47,;-.54,.02,;-2.28,-2.24,;-3.61,-1.46,;-3.61,.08,;-4.94,.85,;-6.28,.08,;-6.28,-1.46,;-4.95,-2.23,;-4.95,-3.77,;-6.2,-4.67,;-5.73,-6.14,;-4.19,-6.14,;-3.42,-7.48,;-3.71,-4.68,;-4.94,2.39,;-6.27,3.16,;-6.26,4.7,;-4.93,5.47,;-3.6,4.7,;-3.6,3.16,;-2.26,5.46,;-2.26,7,;-.79,7.48,;.11,6.23,;1.6,5.83,;-.8,4.98,)|
CC(=O)NC[C@H]1C[C@@H](C1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:7.9,wD:5.4,(6.28,-.4,;4.95,.38,;4.95,1.92,;3.61,-.39,;2.28,.38,;.94,-.39,;-.54,.02,;-.94,-1.47,;.54,-1.87,;-2.28,-2.24,;-3.61,-1.46,;-3.61,.08,;-4.94,.85,;-6.28,.08,;-6.28,-1.46,;-4.95,-2.23,;-4.95,-3.77,;-6.2,-4.67,;-5.73,-6.14,;-4.19,-6.14,;-3.42,-7.48,;-3.71,-4.68,;-4.94,2.39,;-6.27,3.16,;-6.26,4.7,;-4.93,5.47,;-3.6,4.7,;-3.6,3.16,;-2.26,5.46,;-2.26,7,;-.79,7.48,;.11,6.23,;1.6,5.83,;-.8,4.98,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCS(C)(=O)=O)n1
Cc1nnc(s1)-c1cnc(nc1NC1CCC(F)(F)CC1)-c1cccc(c1)-c1cnn(C)c1
Cc1ccc(cn1)-c1cnc(nc1NC1CCN(CC1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Cc1nnc(s1)-c1cnc(nc1NCC(O)C(F)(F)F)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCOC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(O)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(O)CC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCCC(CO)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@H](O)CC2)n1 |r,wU:24.26,27.30,(3.19,5.84,;1.7,6.23,;.8,4.99,;-.67,5.46,;-.67,7,;.8,7.48,;-2,4.69,;-3.33,5.46,;-4.67,4.69,;-4.67,3.15,;-3.33,2.38,;-2,3.15,;-3.33,.84,;-4.67,.07,;-4.67,-1.47,;-3.33,-2.24,;-3.33,-3.78,;-4.58,-4.68,;-4.1,-6.15,;-2.56,-6.15,;-1.79,-7.48,;-2.09,-4.68,;-2,-1.47,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-2,.07,)|
CN(CCC#N)c1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC(C)(C)C)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@@H]2CCCC[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CCCC[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC(O)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2(O)CCCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(CCO)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNCC2F)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC[C@H]1CO |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(F)CCNCC2)n1
COC(=O)[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)N2CCOCC2)n1 |r,wU:27.33,wD:24.26,(1.86,5.84,;.37,6.23,;-.54,4.99,;-2,5.46,;-2,7,;-.54,7.48,;-3.33,4.69,;-4.67,5.46,;-6,4.69,;-6,3.15,;-4.67,2.38,;-3.33,3.15,;-4.67,.84,;-6,.07,;-6,-1.47,;-4.67,-2.24,;-4.67,-3.78,;-5.91,-4.68,;-5.44,-6.15,;-3.9,-6.15,;-3.13,-7.48,;-3.42,-4.68,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;.67,-2.24,;2,-1.47,;2,.07,;.67,.84,;-.67,.07,;3.33,.84,;4.67,.07,;6,.84,;6,2.38,;4.67,3.15,;3.33,2.38,;-3.33,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCN(CC2F)S(C)(=O)=O)n1
CC(=O)N1CCC(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)C(F)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(F)CCN(CC2)S(C)(=O)=O)n1
CC(=O)N1CCC(F)(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)CC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCCC2O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(N)CC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)CCNCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC[C@@H](N)C1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(CN)(C2)C3)n1
Cc1nnc(s1)-c1cnc(nc1NC1CCS(=O)(=O)CC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCCCC2O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(CNS(C)(=O)=O)(C2)C3)n1
CC(=O)N[C@@H]1CCN(C1)c1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC[C@H](C1)NS(C)(=O)=O |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCCC[C@H](O)[C@@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)CCN(CC2)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(CC1)NS(C)(=O)=O
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2CCCCN2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(N)CCCCC2)n1
Cc1nnc(s1)-c1cnc(nc1NC1CCCN(CC1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Cc1nnc(s1)-c1cnc(nc1N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,wD:16.21,(-6.37,-8.15,;-5.6,-6.81,;-4.06,-6.81,;-3.58,-5.35,;-4.83,-4.44,;-6.07,-5.35,;-4.83,-2.9,;-6.16,-2.13,;-6.16,-.59,;-4.83,.18,;-3.49,-.59,;-3.49,-2.13,;-2.16,-2.9,;-.67,-2.5,;-.27,-1.02,;1.21,-.62,;2.3,-1.71,;1.9,-3.19,;.42,-3.59,;3.79,-1.31,;4.88,-2.4,;5.97,-3.49,;6.37,-2,;4.48,-3.89,;-4.83,1.72,;-6.16,2.49,;-6.16,4.03,;-4.83,4.8,;-3.49,4.03,;-3.49,2.49,;-2.16,4.8,;-.69,4.32,;.21,5.57,;-.69,6.81,;.08,8.15,;-2.16,6.34,)|
CC(=O)N1CCC(CC1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
CC(=O)NC1(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)CCCCC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCS(=O)(=O)CC2)n1
CC(=O)N1CCCCC1CCNc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2CCCCN2S(C)(=O)=O)n1
CC(C)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(CO)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(CCCCC2)NS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](CC2)N2CCOCC2)n1 |r,wU:24.26,27.33,(1.86,5.84,;.37,6.23,;-.54,4.99,;-2,5.46,;-2,7,;-.54,7.48,;-3.33,4.69,;-4.67,5.46,;-6,4.69,;-6,3.15,;-4.67,2.38,;-3.33,3.15,;-4.67,.84,;-6,.07,;-6,-1.47,;-4.67,-2.24,;-4.67,-3.78,;-5.91,-4.68,;-5.44,-6.15,;-3.9,-6.15,;-3.13,-7.48,;-3.42,-4.68,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;-.67,.07,;.67,.84,;2,.07,;2,-1.47,;.67,-2.24,;3.33,.84,;4.67,.07,;6,.84,;6,2.38,;4.67,3.15,;3.33,2.38,;-3.33,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(CN)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(CNS(C)(=O)=O)C1
CC(=O)NC12CC(C1)(C2)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCNS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@@H](O)[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(N)(C2)C3)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(C2)(C3)NS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(F)(F)F)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(F)(F)C(F)(F)C(F)(F)F)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](O)[C@@H]2O)n1 |r|
CC(Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1)C1CCN(CC1)S(C)(=O)=O
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(O)C(F)(F)F)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)NS(=O)(=O)C2CC2)n1 |r,wU:27.33,wD:24.26,(1.09,5.84,;-.4,6.23,;-1.3,4.99,;-2.77,5.46,;-2.77,7,;-1.3,7.48,;-4.1,4.69,;-5.44,5.46,;-6.77,4.69,;-6.77,3.15,;-5.44,2.38,;-4.1,3.15,;-5.44,.84,;-6.77,.07,;-6.77,-1.47,;-5.44,-2.24,;-5.44,-3.78,;-6.68,-4.68,;-6.21,-6.15,;-4.67,-6.15,;-3.9,-7.48,;-4.19,-4.68,;-4.1,-1.47,;-2.77,-2.24,;-1.44,-1.47,;-.11,-2.24,;1.23,-1.47,;1.23,.07,;-.11,.84,;-1.44,.07,;2.56,.84,;3.9,.07,;3.13,-1.26,;4.67,-1.26,;5.23,.84,;6.77,.84,;6,2.18,;-4.1,.07,)|
CC(=O)N1CCC(O)(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)CC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCS(N)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](CC2)C(O)=O)n1 |r,wD:24.26,27.33,(.82,8.15,;.05,6.81,;-1.42,6.34,;-1.42,4.8,;.05,4.32,;.95,5.57,;-2.75,4.03,;-4.08,4.8,;-5.42,4.03,;-5.42,2.49,;-4.08,1.72,;-2.75,2.49,;-4.08,.18,;-5.42,-.59,;-5.42,-2.13,;-4.08,-2.9,;-4.08,-4.44,;-2.84,-5.35,;-3.31,-6.81,;-4.85,-6.81,;-5.62,-8.15,;-5.33,-5.35,;-2.75,-2.13,;-1.42,-2.9,;.07,-2.5,;1.16,-3.59,;2.65,-3.19,;3.05,-1.71,;1.96,-.62,;.47,-1.02,;4.53,-1.31,;5.62,-2.4,;4.93,.18,;-2.75,-.59,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC[C@H](F)[C@@H](O)C1 |r|
CN[C@H]1CCC[C@H](Nc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)[C@@H]1O |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCS(C)(=N)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1C[C@H](N)CC(F)(F)C1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1C[C@@H](N)CC(F)(F)C1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@H](F)[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCC[C@@H](F)[C@@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCCC(F)(F)[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCCC[C@@H](O)[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCCC[C@H](O)[C@@H]2O)n1 |r|
Cn1cc2NC(=O)c3cccc(c3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CCOC1=O)c2
O=C1NCCCCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCN4CCOC(C4)CNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCOC(=O)N4CCOC(C4)CNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCN4CCC(C4)CNC(=O)c2n1)c3
CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CC1)c2
CN1CCCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CC1)c2
O=C1NCCCCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
O=C1NCCSCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
O=C1NCCS(=O)CCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
O=C1NCCS(=O)(=O)CCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
O=C1NCCCCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCNCC1
CS(=O)(=O)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
FC1(F)CC1C(=O)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
O=C(NC1CC1)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
O=C1NCCOCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCOC(=O)N4CCC(NC(=O)c2n1)C(O)C4)c3
OCCN1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
CN(C)CCN1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
O=C1NCCCCCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(C\C=C\CCCNC(=O)c2n1)c3 |t:19|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC\C=C/CCNC(=O)c2n1)c3 |c:20|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC\C=C\CCNC(=O)c2n1)c3 |t:20|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C\CNC(=O)c2n1)c3 |t:21|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C/CNC(=O)c2n1)c3 |c:21|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCC(O)C(O)CNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC(O)C(O)CCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC(O)C(O)CCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(C\C=C/CCCNC(=O)c2n1)c3 |c:19|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC#CCCCNC(=O)c2n1)c3
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
CC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2c1Oc1ccc(C#N)cc1O2
CC(C)Nc1c(C(=O)NC2CCOCC2)cnc2c1Oc1cc(C#N)ccc1O2
CCOCCNC(=O)c1cnc2c(c1NC(C)C)Oc1cc(C#N)ccc1O2
COCCNC(=O)c1cnc2c(c1NC(C)C)Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)N[C@H]2CC[C@H](O)CC2)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)NCC(C)(C)CO)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)NC(CCO)C2CC2)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)NC2CCCOC2)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)N[C@H](C)CCO)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)NCC2(CO)CC2)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)NCc2nnc[nH]2)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)NCc2cnco2)cnc2c1Oc1cc(C#N)ccc1O2
Cc1cc(CNC(=O)c2cnc3c(c2NC(C)C)Oc2cc(C#N)ccc2O3)on1
CC(C)Nc1c(C(=O)NCCC(C)(C)O)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)CCNC(=O)c1cnc2c(c1NC(C)C)Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)N[C@H]2CC[C@H](N)CC2)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)NCC2(CO)COC2)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)NCc2nccs2)cnc2c1Oc1cc(C#N)ccc1O2
CC(C)Nc1c(C(=O)NC2CCNCC2)cnc2c1Oc1cc(C#N)ccc1O2
CNCc1cccc(c1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
Nc1cccc(c1)-c1ccc2cnn(-c3cccc(n3)C#N)c2c1
Nc1cccc(c1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C3CC3)c2c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C#N)c2c1
NC(=O)c1cccc(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1
Cc1ccnc(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1
Nc1cncc(c1)-c1ccc2cnn(-c3nccc(n3)C#N)c2c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
Cc1cccc(n1)-c1ncc2ccc(cn12)-c1cncc(N)c1
Cc1cccc(n1)-c1ncc2ccc(cn12)-c1cccc(N)c1
NCc1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(N)=O)c2c1
NCc1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
COC(=O)c1cc(cc2n(ncc12)-c1cccc(n1)C#N)-c1cncc(N)c1
COC(=O)c1cc(cc2n(ncc12)-c1cccc(n1)C(F)(F)F)-c1cncc(N)c1
Nc1cncc(c1)-c1cc(C(O)=O)c2cnn(-c3cccc(n3)C(F)(F)F)c2c1
NC(=O)c1cc(cc2n(ncc12)-c1cccc(n1)C(F)(F)F)-c1cncc(N)c1
Nc1cncc(c1)-c1cc(CO)c2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
COC(=O)c1cc(cc2n(ncc12)-c1cccc(n1)C(F)(F)F)-c1cccc(n1)C(C)N
CC(N)c1cccc(n1)-c1cc(CO)c2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CNC(=O)c1cc(cc2n(ncc12)-c1cccc(n1)C(F)(F)F)-c1cccc(n1)C(C)N
CNC(=O)c1cc(cc2n(ncc12)-c1cccc(n1)C(F)(F)F)-c1cncc(N)c1
NC1CCCc2ccc(nc12)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
NCCNC(=O)c1cccc(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1
Nc1cncc(c1)-c1ccc2cnc(-c3cccc(n3)C#N)n2c1
Nc1cncc(c1)-c1ccc2cnc(-c3cccc(n3)C(F)(F)F)n2c1
CC(N)c1cccc(n1)-c1ccc2cnc(-c3cccc(n3)C(F)(F)F)n2c1
NCc1cc(N)cc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
C[C@@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
Nc1cc(cc(c1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1)C(O)=O
Nc1cc(cc(c1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1)C(=O)NCC#N
NCCNC(=O)c1cc(N)cc(c1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CC(N)c1cccc(c1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CC(N)c1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CC(N)c1cccc(n1)-c1ccc2cnc(-c3cccc(C)n3)n2c1
CC(N)c1cccc(n1)-c1cc(N)c2cnn(-c3cccc(C)n3)c2c1
CNc1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(C)N
CC(N)c1cccc(n1)-c1cc(N(C)C)c2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1cc(Cl)c2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1cc(C(C)=C)c2cnn(-c3cccc(C)n3)c2c1
COC(=O)c1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(C)N
CC(N)c1cccc(n1)-c1cc(CO)c2cnn(-c3cccc(C)n3)c2c1
CNC(=O)c1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(C)N
CNC(C)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CN[C@@H](C)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C3CC3)c2c1
CCc1cccc(Br)n1
CC(C)c1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(C)N
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC(N)c1cc(C)cc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(N)=O)c2c1
CCC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
NC(C1CC1)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CC(C)(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(N)C1CC1
CCCC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
C[C@@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
C[C@@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CCC[C@@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
Cc1cccc(n1)-n1ncc2cncc(N)c12
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CC(N)c1cccc(n1)-c1cc(C#N)c2cnn(-c3cccc(C)n3)c2c1
CC(N(C)C)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cc(N)cc(CN)n1
CC(N)c1cccc(n1)-c1cc(F)c2cnn(-c3cccc(n3)C(F)(F)F)c2c1
C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1 |r|
CC(N)c1nc(ccc1F)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CCOc1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(C)N
COc1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(C)N
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(N)CCO
CC(N)c1cccc(n1)-c1cc(O)c2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cc(N)cc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cn(C)c(CO)n1
COC(=O)CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CCC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CCC[C@@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1 |r|
CCCC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CCC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(N)=O)c2c1
CC(N)c1cc(N)cc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(N)CO
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(N)C(O)=O
CCCC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(N)=O)c2c1
CCC(N)c1cccc(n1)C1=CC2C(C=NN2c2cccc(C)n2)C=C1 |c:15,27,t:11|
CCCC(N)c1cccc(n1)C1=CC2C(C=NN2c2cccc(C)n2)C=C1 |c:16,28,t:12|
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(C)(C)O)c2c1
COCc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(C)N
CCCC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC(N)c1nc(ccc1C)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CCCc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(C)N
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(C)O)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(C)(C)C)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C3(CC3)C#N)c2c1
NCc1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CCc1cccc(n1)-c1ncc2ccc(cn12)-c1cccc(n1)C(C)N
CCC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC(N)c1cccc(n1)-c1cc(-c2ncc[nH]2)c2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3nccc(n3)C(F)(F)F)c2c1
CC(N)c1cccc(n1)-c1ccc2cnc(-c3cccc(CO)n3)n2c1
CC(N)c1cccc(n1)-c1cc(-c2nccs2)c2cnn(-c3cccc(C)n3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C1(CCC1)C#N
COc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)C(C)N
CC(N)c1cccc(n1)-c1cc(CO)c2cnn(-c3cccc(CO)n3)c2c1
CC(N)c1nc(cs1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1cc(Cl)c2cnc(-c3cccc(n3)C(F)(F)F)n2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C1(CCC1)C(N)=O
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CCO)n3)c2c1
CNC(=O)c1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)C(C)N
CC(N)c1cccc(n1)-c1cc(F)c2cnc(-c3cccc(n3)C(F)(F)F)n2c1
CC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CC(N)c1cccc(n1)-c1cc(-c2cc[nH]n2)c2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1cc(F)c2cnn(-c3cccc(CO)n3)c2c1
CC[C@@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N[S@](=O)C(C)(C)C)c1cccc(n1)-c1cc(N2CCCCC2)c2cnn(-c3cccc(CO[Si](C)(C)C(C)(C)C)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCC(O)C2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCCC2CO)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(NC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(NCC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCC(O)CC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCCC(O)C2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CC(F)(F)C2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CC(CO)(CCl)C2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCC(F)(F)C2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCOC(C)C2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CC(C)OC(C)C2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(NCC(CCl)C(O)=O)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCS(=O)(=O)CC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCSCC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCOCC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CC(C)(C)C2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCC(C2)C(O)=O)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCCC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCN(C)CC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(NCC(C)(C)CCl)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCC(F)(F)CC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCCC(F)(F)C2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CC(C2)C(O)=O)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCCC(C2)C(O)=O)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCC(CC2)C(O)=O)c2cnn(-c3cccc(CO)n3)c2c1 |r|
COc1cc(F)c(C=O)c(Br)c1
C[C@H](N)c1cccc(n1)-c1cc(-n2ccc(C)n2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-n2ccnc2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-n2cncn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-n2ccc(n2)C(F)(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ccn(C)n2)c2cnn(-c3cccc(CO)n3)c2c1
CCc1cccc(n1)-c1cc(-c2nnc(C)o2)c2cnn(-c3cccc(CO)n3)c2c1
C[C@H](N)c1cccc(n1)-c1cc(-c2ncco2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CC[C@H](N)c1cccc(n1)-c1cc(-c2ccn(C)n2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(-c2ccn(C)n2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2nnc(C)s2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2cn(C)cn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ncccn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2cc(C)n(C)n2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2cc(C)[nH]n2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2cnn(C)c2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2csc(C)n2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2nc(cs2)C#N)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ccsn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ccccc2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ncc(C)s2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ccccn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2nc(co2)C(F)(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2nc(C)cs2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2cnn(c2)C(F)(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2nc(C)c(C)s2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2nc(cs2)C(F)(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2nccs2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ncc(s2)C(F)(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2cc[nH]n2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2csc(n2)C(F)(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2cc([nH]n2)C(F)(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(-c2ncccn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ncc(F)cn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ccn(n2)C(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ccnn2C(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2cnccn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(-c2cc(C)n(C)n2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CC[C@@H](N)c1cccc(n1)-c1cc(-c2cc(C)n(C)n2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
Cc1cc(nn1C)-c1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CF |r|
Cc1cc(nn1C)-c1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CCCO |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ccncn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2cccnn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
Cn1ccc(n1)-c1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CCCO |r|
COCCCC(=O)c1cccc(Br)n1
CC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cncc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cncc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3ccnc(CO)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)c3)c2c1
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3nccc(CO)n3)c2c1
CC(C)(C)[Si](C)(C)OCc1cccc(n1)-n1ncc2ccc(cc12)B1OC(C)(C)C(C)(C)O1
Brc1cncc(Br)n1
COc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CCCO
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CCCO
CCOC(=C)c1ccnc(n1)-c1ccc2cnn(-c3cccc(CO[Si](C)(C)C(C)(C)C)n3)c2c1
CON(C)C(=O)c1ccnc(Cl)n1
CC(=O)c1cccc(n1)-n1ncc2ccc(Br)cc12
CCC[C@H](N[S@@](=O)C(C)(C)C)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(C)=O)c2c1 |r|
CCC[C@H](N[S@](=O)C(C)(C)C)c1cccc(Br)n1 |r|
CC1(N)CCCc2ccc(nc12)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CCCC1(N)CCCc2ccc(nc12)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
N[C@@H](C1CCC1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1cc(C2=CCN(C)CC2)c2cnn(-c3cccc(CO)n3)c2c1 |t:15|
CCC[C@H](N)c1cccc(n1)-c1cc(C2CCN(C)CC2)c2cnn(-c3cccc(CO)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1cc(C2CCOCC2)c2cnn(-c3cccc(CO)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1cc(OCCO)c2cnn(-c3cccc(CO)n3)c2c1
N[C@@H](CCC(F)(F)F)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
COCCOc1cc(cc2n(ncc12)-c1cncc(CO)n1)-c1cccc(n1)[C@@H](N)CCCO
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@H](N)C(F)CCO
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)C(F)CCO
CC(F)C(=O)c1cccc(Br)n1
N[C@@H](CC=C)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC(=C)C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC(F)(F)C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CC(C)(F)F |r|
CC(C)(C)[S@](=O)NC(c1ccccc1)c1cccc(Br)n1 |r,w:7.6|
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CC#CC
CCC(OC)C(=O)c1cccc(Br)n1
CCC(OC)[C@H](N[S@](=O)C(C)(C)C)c1cccc(Br)n1 |r,w:2.2|
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)[C@@H](CC)OC
NC(C1COC1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)C(N)C1COC1
CC1(CC(N)c2cccc(n2)-c2ccc3cnn(-c4cccc(CO)n4)c3c2)COC1
CC(=O)C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(C=O)n3)c2c1
CCC[C@H](N[S@@](=O)C(C)(C)C)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)[C@@H](O)C(F)(F)F)c2c1 |r|
CC[C@@H](F)[C@H](N)c1cccc(n1)-c1cc(OCCOC)c2cnn(-c3cccc(CO)n3)c2c1
CC[C@H](F)[C@H](N)c1cccc(n1)-c1cc(OCCOC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CC(C)(F)F |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OCCCOC)c2cnn(-c3cccc(CO)n3)c2c1
CC[C@H](N)c1cccc(n1)-c1cc(OCCCOC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
COCCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@H](C)N |r|
C[C@H](N)c1cccc(n1)-c1cc(OCCCO)c2cnn(-c3cccc(CO)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1cc(OCCCO)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CC[C@H](N)c1cccc(n1)-c1cc(OCCCO)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N[S@](=O)C(C)(C)C)c1cccc(n1)-c1cc(OC)c2cnn(-c3cccc(CO[Si](C)(C)C(C)(C)C)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OCC)c2cnn(-c3cccc(CO)n3)c2c1
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)C1(N)CCOC1
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)C1(N)CCC1
COCCOc1cc(cc2n(ncc12)-c1cncc(CO)n1)-c1cccc(n1)C1(N)CCC1
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)C1(N)CCCC1
CCC[C@H](N)c1cccc(n1)-c1cc(OCC(C)(C)O)c2cnn(-c3cccc(CO)n3)c2c1
OCc1cccc(n1)-n1ncc2c(F)cc(Br)cc12
CCC[C@H](N)c1cccc(n1)-c1cc(F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N[S@](=O)C(C)(C)C)c1cccc(n1)-c1cc(OCCOC)c2cnn(-c3cccc(CO[Si](C)(C)C(C)(C)C)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(C2CCCO2)c2cnn(-c3cccc(CO)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1cc([C@H]2CC[C@@H](C)O2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc([C@@H]2CC[C@@H](C)O2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OCCOC)c2cnn(-c3cncc(CO)n3)c2c1
COCCOc1cc(cc2n(ncc12)-c1cncc(CO)n1)-c1cccc(n1)[C@H](C)N
CC[C@H](N)c1cccc(n1)-c1cc(OCCOC)c2cnn(-c3cncc(CO)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1cc(OC(C)C)c2cnn(-c3cccc(CO)n3)c2c1
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CCCO
CC[C@H](N)c1cccc(n1)-c1cc(NC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3nccc(n3)C(F)F)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(CF)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(C2=CCN(CC2)C(C)=O)c2cnn(-c3cccc(CO)n3)c2c1 |r,t:15|
CCC[C@H](N)c1cccc(n1)-c1cc(OC)c2cnn(-c3cncc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(Cl)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(C(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(CO)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(C2=CCOCC2)c2cnn(-c3cccc(CO)n3)c2c1 |r,t:15|
CCC[C@H](N)c1cccc(n1)-c1cc(COC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
COc1cc(cc2n(ncc12)-c1cncc(CO)n1)-c1cccc(n1)[C@@H](N)C1CC1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(COC(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(CN2CCOCC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OCC)c2cnn(-c3cncc(CO)n3)c2c1 |r|
CCOc1cc(cc2n(ncc12)-c1cncc(CO)n1)-c1cccc(n1)[C@@H](N)CC |r|
CCOc1cc(cc2n(ncc12)-c1cncc(CO)n1)-c1cccc(n1)[C@@H](N)C1CC1 |r|
COc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CCC(F)(F)F |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OC)c2cnn(-c3nccc(n3)C(F)(F)F)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OCC)c2cnn(-c3nccc(n3)C(F)(F)F)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OCC2CCCNC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC(O)C(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC(O)CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
COCCC[C@H](N)c1cccc(n1)-c1cc(OC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CCC(F)(F)F |r|
CCC[C@H](N)c1cccc(n1)-c1cc(C#N)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3nccc(n3)C(F)F)c2c1 |r|
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CCCOC |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OCC(F)(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(C2CCN(CC2)C(C)=O)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(CN(C)C)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CF)n3)c2c1 |r|
CCC[C@@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)F)c2c1 |r|
CSCC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC(C)C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OCCC2CC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OC(F)(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(C2=NCCO2)c2cnn(-c3cccc(CO)n3)c2c1 |r,t:13|
CCC[C@H](N)c1cccc(n1)-c1cc(OC(F)F)c2cnn(-c3cncc(CO)n3)c2c1 |r|
CCC[C@H](NC)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(C2=NC(C)CO2)c2cnn(-c3cccc(CO)n3)c2c1 |r,t:13|
C[C@@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)F)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3nccc(n3)C(F)(F)F)c2c1 |r|
CS(=O)(=O)CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC[C@H](N)c1cccc(n1)-c1cc(C#N)c2cnn(-c3cccc(CO)n3)c2c1 |r|
NC(CC1CC1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC(N)c1cccc(n1)-c1cc(-c2cnco2)c2cnn(-c3cccc(C)n3)c2c1
C[C@H](N)c1cccc(n1)-c1cc(C#N)c2cnn(-c3cccc(CO)n3)c2c1 |r|
NC(C1CC1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)F)c2c1 |r|
CC(N)c1cccc(n1)-c1cc(-c2ncco2)c2cnn(-c3cccc(C)n3)c2c1
COCC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CN(C)C(=O)C(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3ccc(F)c(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cncc(n3)C(F)(F)F)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(C(C)OC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(Cl)c2cnn(-c3nccc(n3)C(F)F)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OC)c2cnn(-c3nccc(n3)C(F)F)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc([C@@H]2CCCN2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1ccnc(n1)-c1cc(OC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
COCCC[C@H](N)c1cccc(n1)-c1cc(-c2ccn(C)n2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@@H](N)c1ccnc(n1)-c1cc(OC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ncc(C)o2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(-n2ccnn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(COC(F)(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCCC[C@H](N)c1ccnc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(-c2ncc(C)o2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1ccnc(n1)-c1cc(OCC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@@H](N)c1ccnc(n1)-c1cc(OCC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@H](C)N |r|
CC[C@H](N)c1cccc(n1)-c1cc(OCCOC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)C1CC1 |r|
N[C@@H](CF)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cncc(C)n3)c2c1 |r|
N[C@@H](CC#N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
N[C@@H](CCC#N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)CF |r|
CCC[C@H](N)c1ccnc(n1)-c1cc(OCCOC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@@H](N)c1ccnc(n1)-c1cc(OCCOC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(C2CCOC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OCC2CC(F)(F)C2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(N)n1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(CN)n1
Cc1cccc(n1)-n1ncc2ccc(cc12)B1OC(C)(C)C(C)(C)O1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(N)c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1nccc(CN)n1
CNc1cncc(c1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CN(C)Cc1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
Nc1cccc(c1)-c1ccc2cnn(-c3cccc(c3)C#N)c2c1
Nc1cccc(c1)-c1ccc2cnn(-c3ccccn3)c2c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C(O)=O)c2c1
CNC(=O)c1cccc(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(c3)C#N)c2c1
Cc1cc(cc(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1)C#N
Nc1cncc(c1)-c1ccc2cnn(-c3cc(ccn3)C#N)c2c1
Cc1ccnc(c1)-n1ncc2ccc(cc12)-c1cncc(N)c1
Cc1cccc(n1)-n1ncc2cc(F)c(cc12)-c1cncc(N)c1
NCc1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C#N)c2c1
NCc1cc(cc2n(ncc12)-c1cccc(n1)C(F)(F)F)-c1cncc(N)c1
CC(N)c1cccc(n1)-c1cc(C(=O)N(C)C)c2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CN(C)C(=O)c1cccc(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C(=O)NCCO)c2c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C(=O)NCCCO)c2c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C(=O)N3CC(O)C3)c2c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C(=O)NCCCC#N)c2c1
NC(=O)c1cccc(n1)-c1ncc2ccc(cn12)-c1cncc(N)c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(CC#N)n3)c2c1
Nc1cc(cc(n1)C(=O)NCC#N)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CC(N)c1cc(ccn1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
Nc1cncc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
FC(F)(F)c1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C1CCCN1
CC(N)c1cccc(n1)-c1cc(NC(C)=O)c2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1cc(CNC(C)=O)c2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1cc(C2CC2)c2cnn(-c3cccc(C)n3)c2c1
CCc1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(C)N
CC(C)c1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(C)N
CC(N)c1cccc(n1)-c1cc(c2cnn(-c3cccc(C)n3)c2c1)C(F)(F)F
CC(N)c1cccc(n1)-c1cc(C(O)=O)c2cnn(-c3cccc(C)n3)c2c1
CNC(C)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3ccccn3)c2c1
CC(N)c1cc(cc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1)C(F)(F)F
CC(O)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3nc(C)cs3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3ncc(C)s3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3csc(C)n3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3ccn(C)n3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cn(C)cn3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1nc(CN)cs1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1ncc(CN)s1
CN(C)c1cncc(c1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cc(N)cnc1C
CC(N(C)C)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CCc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(C)=O
CN(C)c1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(\C)=N\O
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(O)C(F)(F)F
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(N)=O
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(CC#N)n1
CC(N)c1cccc(n1)-c1cc(OCC2CC2)c2cnn(-c3cccc(C)n3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1csc(CN)n1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(CCN)n1
CC(N)c1nc(ccc1C(F)(F)F)-c1ccc2cnn(-c3cccc(C)n3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(N)C#N
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(N)C(F)(F)F
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(N)CC(O)=O
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C1(N)CC1
CC(N)c1nc(ccc1Cl)-c1ccc2cnn(-c3cccc(C)n3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(N)C(N)=O
COC(=O)C(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CN)n3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(C)(C)C#N)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(C)(C)N
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(C)(C)C(N)=O)c2c1
CC(N)c1nc(cn1C)-c1ccc2cnn(-c3cccc(C)n3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1ccccn1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1ccc2CCCCC(N)c2n1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1csc(CO)n1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cn(C)cn1
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCOCC2=O)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cncc(CO)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3ccnc(CO)c3)c2c1
CCC[C@H](N)c1ccnc(c1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)C1(N)COC1
CCC[C@H](N)c1cccc(n1)-c1cc(OCCS(C)(=O)=O)c2cnn(-c3cccc(CO)n3)c2c1
NC(CO)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
C[C@H](N)c1cccc(n1)-c1cc(C(=O)NC(C)(C)CO)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3nccc(n3)C(F)F)c2c1 |r|
CC(N)CNC(=O)c1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@H](C)N |r|
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(N)CC(F)(F)F
CC(N)c1cccc(n1)-c1cc(-c2nnc(C)o2)c2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cncc(C)n3)c2c1
NC(C(N)=O)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC(N)c1cccc(c1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC(N)c1ccc(F)c(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3nc(CO)ccc3F)c2c1 |r|
CCC[C@H](N(C)C)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CNC(=O)C(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
OCc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C1CCCN1
N[C@H](CC#N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(C(CO)CCl)c2cnn(-c3cccc(CO)n3)c2c1 |r|
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cc(N)ccn1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cc(CN)ccn1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1C
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cc(cnc1O)[N+]([O-])=O
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1O
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc2CNCCc12
CN1CCc2c(C1)cccc2-c1ccc2cnn(-c3cccc(C)n3)c2c1
CN1Cc2cccc(c2C1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
Cc1cc(C)nc(c1)-n1ncc2ccc(cc12)-c1cccc(N)c1
Cc1ccc(nc1C)-n1ncc2ccc(cc12)-c1cccc(N)c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C3CCC3)c2c1
Cc1ccc(Cl)c(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1
Cc1cccc(n1)-n1ncc2cc(C)c(cc12)-c1cncc(N)c1
CN(C)C(=O)c1cc(cc2n(ncc12)-c1cccc(n1)C(F)(F)F)-c1cncc(N)c1
NC1CCc2ccc(nc12)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CC(O)CNC(=O)c1cccc(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1
CN(C)CCNC(=O)c1cccc(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C(=O)NCCC#N)c2c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C(=O)NCC#N)c2c1
CS(=O)(=O)CCNC(=O)c1cccc(n1)-n1ncc2ccc(cc12)-c1cncc(N)c1
Nc1cncc(c1)-c1ccc2cnc(-c3cccc(c3)C#N)n2c1
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(CC(O)=O)n3)c2c1
FC(F)(F)c1cccc(n1)-n1ncc2ccc(cc12)-c1cncc(n1)C#N
NCc1cncc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
FC(F)(F)c1cccc(n1)-n1ncc2ccc(cc12)-c1ccnc(n1)C#N
NCc1nccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CN1CCCC1c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CC(N)c1cccc(n1)-c1cc(CN)c2cnn(-c3cccc(C)n3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cncc(c1)N1CCCC1
CC(=O)c1cccc(n1)-c1cc(F)c2cnn(-c3cccc(n3)C(F)(F)F)c2c1
FC(F)(F)c1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C#N
Nc1cc(cc(n1)C(O)=O)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CC(N)c1cccc(n1)-c1cc(CN)c2cn(nc2c1)-c1cccc(C)n1
CC(N)c1cccc(n1)-c1cc(CNC(C)=O)c2cn(nc2c1)-c1cccc(C)n1
CC(=O)c1cccc(n1)-c1cc(Cl)c2cnn(-c3cccc(C)n3)c2c1
C\C(=N\O)c1cccc(n1)-c1cc(Cl)c2cnn(-c3cccc(C)n3)c2c1
CN(C(=O)OC(C)(C)C)c1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(C)=O
CNc1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(\C)=N/O
CC(=O)c1cccc(n1)-c1ccc2cnn(-c3ccccn3)c2c1
CN(C)c1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(C)=O
CCc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(\C)=N\O
COC(=O)c1nc(ccc1N)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CC(=O)NCc1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cc(C)cs3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1coc(CN)n1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(C)(C)S(C)(=O)=O)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(C)(C)N)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3nccc(C)n3)c2c1
CC(O)c1nc(cn1C)-c1ccc2cnn(-c3cccc(C)n3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cn(C)c(CN)n1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(CCC(F)(F)F)n1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3cc(C)cc(C)n3)c2c1
CCC[C@H](N)c1cccc(n1)-c1cc(C#CC(C)(C)O)c2cnn(-c3cccc(CO)n3)c2c1
COC(=O)c1cccc(n1)-n1ncc2ccc(Br)cc12
CCCC(O)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
NC(C#N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
CC(N)c1cccc(n1)-c1ccc2cnn(-c3ccnc(n3)C#N)c2c1
CS(=O)CC(N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cc(ccn1)C(N)=O
Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C3CCCC3)c2c1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc2C(=O)NCCc12
FC(F)(F)C(=O)Nc1cncc(c1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1
FC(F)(F)c1cccc(n1)-n1ncc2ccc(cc12)-c1ccc2CCC(=O)c2n1
FC(F)(F)c1cccc(n1)-n1ncc2ccc(cc12)-c1ccc2CCCC(=O)c2n1
C\C(=N\O)c1cccc(n1)-c1ccc2cnc(-c3cccc(n3)C(F)(F)F)n2c1
CN(C(=O)OC(C)(C)C)c1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(c1)C(\C)=N/O
C\C(=N/O)c1cccc(n1)-c1ccc2cnn(-c3ccccn3)c2c1
CC(=O)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C#N)c2c1
COC(=O)c1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(\C)=N\O
CC(=O)c1cccc(n1)-c1ccc2cnn(-c3nc(C)cs3)c2c1
CC[C@H](N)c1cccc(n1)-c1cc(OC)c2cnn(-c3cncc(CO)n3)c2c1 |r|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2cc(C)c(C)cc12 |r,wU:6.9,wD:3.2,(69.5,-34.15,;68.16,-33.38,;68.16,-31.84,;66.83,-34.15,;65.49,-33.38,;64.16,-34.16,;64.17,-35.69,;65.51,-36.46,;66.83,-35.69,;62.84,-36.47,;62.85,-38.01,;64.18,-38.77,;64.19,-40.32,;62.86,-41.09,;61.52,-40.32,;60.19,-41.1,;58.86,-40.33,;57.52,-41.1,;58.86,-38.79,;57.52,-38.02,;60.19,-38.02,;61.52,-38.78,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12 |r,wU:6.9,wD:3.2,(15.3,-18.44,;13.96,-17.67,;13.96,-16.13,;12.63,-18.44,;11.3,-17.67,;9.96,-18.45,;9.97,-19.98,;11.31,-20.75,;12.63,-19.98,;8.64,-20.76,;8.65,-22.3,;9.99,-23.06,;10,-24.6,;8.66,-25.38,;7.33,-24.61,;5.99,-25.39,;4.66,-24.62,;4.66,-23.08,;3.33,-22.31,;5.99,-22.31,;7.33,-23.07,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:10.9,wD:13.16,(.38,7.24,;-.7,6.15,;-2.19,6.55,;-3.28,5.46,;-2.88,3.97,;-3.97,2.88,;-3.57,1.39,;-2.09,1,;-1,2.09,;.49,1.69,;.89,.2,;2.38,-.2,;2.78,-1.69,;1.69,-2.78,;.2,-2.38,;-.2,-.89,;2.09,-4.26,;1,-5.35,;1.39,-6.84,;2.88,-7.24,;3.97,-6.15,;3.57,-4.66,;-1.39,3.57,;-.31,4.66,)|
FC(F)(F)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.12,wD:16.19,(-4.85,6.19,;-3.76,5.1,;-2.27,5.5,;-3.36,6.59,;-4.16,3.61,;-5.64,3.21,;-6.04,1.73,;-4.95,.64,;-5.35,-.85,;-4.26,-1.94,;-2.78,-1.54,;-2.38,-.05,;-.89,.35,;.2,-.74,;1.69,-.35,;2.78,-1.43,;2.38,-2.92,;.89,-3.32,;-.2,-2.23,;3.47,-4.01,;3.07,-5.5,;4.16,-6.59,;5.64,-6.19,;6.04,-4.7,;4.95,-3.61,;-3.47,1.04,;-3.07,2.52,)|
Cc1cc2c(N[C@H]3CC[C@@H](CC3)N3CCOCC3)ncnc2cc1F |r,wU:6.5,wD:9.12,(-3.41,5.84,;-3.81,4.36,;-2.72,3.27,;-3.12,1.78,;-2.03,.69,;-.54,1.09,;.54,,;2.03,.4,;3.12,-.69,;2.72,-2.18,;1.23,-2.58,;.15,-1.49,;3.81,-3.27,;3.41,-4.75,;4.5,-5.84,;5.99,-5.44,;6.39,-3.96,;5.3,-2.87,;-2.43,-.8,;-3.92,-1.2,;-5.01,-.11,;-4.61,1.38,;-5.7,2.47,;-5.3,3.96,;-6.39,5.05,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.9,wD:3.2,(32.24,-34.34,;30.91,-33.57,;30.9,-32.03,;29.57,-34.34,;28.24,-33.57,;26.9,-34.35,;26.91,-35.88,;28.25,-36.65,;29.57,-35.88,;25.58,-36.66,;25.59,-38.2,;26.93,-38.96,;26.94,-40.5,;25.6,-41.28,;24.27,-40.51,;22.94,-41.29,;21.6,-40.52,;21.6,-38.98,;22.93,-38.2,;24.27,-38.97,;20.27,-38.21,;20.27,-36.67,;18.94,-38.98,;18.93,-37.44,)|
Cc1ccc2ncnc(O[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.16,wD:10.9,(;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;9.34,3.85,;8,4.62,;6.67,3.85,;10.67,4.62,;10.67,6.16,;12,6.93,;13.34,6.16,;13.34,4.62,;12,3.85,;4,-.77,;2.67,,)|
Cc1ccc2ncnc(NC3CC[C@@H](CC3)N3CC(C3)S(C)(=O)=O)c2c1 |r,wD:13.16,(;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;6.67,3.85,;8,4.62,;9.34,3.85,;9.34,2.31,;8,1.54,;10.67,4.62,;10.99,6.13,;12.52,5.97,;12.2,4.46,;13.77,6.87,;15.17,6.24,;13.61,8.4,;13.93,5.34,;4,-.77,;2.67,,)|
Cc1ccc2ncnc(N[C@H]3CC[C@H](CC3)N3CC(F)C3)c2c1 |r,wU:10.9,13.16,(-1.7,6.94,;-2.47,5.61,;-4.01,5.61,;-4.78,4.28,;-4.01,2.94,;-4.78,1.61,;-4.01,.28,;-2.47,.28,;-1.7,1.61,;-.16,1.61,;.61,.28,;2.15,.28,;2.92,-1.06,;2.15,-2.39,;.61,-2.39,;-.16,-1.06,;2.92,-3.72,;2.52,-5.21,;4.01,-5.61,;4.78,-6.94,;4.41,-4.12,;-2.47,2.94,;-1.7,4.28,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CC(F)C3)c2c1 |r,wU:13.16,wD:10.9,(-1.7,6.94,;-2.47,5.61,;-4.01,5.61,;-4.78,4.28,;-4.01,2.94,;-4.78,1.61,;-4.01,.28,;-2.47,.28,;-1.7,1.61,;-.16,1.61,;.61,.28,;-.16,-1.06,;.61,-2.39,;2.15,-2.39,;2.92,-1.06,;2.15,.28,;2.92,-3.72,;2.52,-5.21,;4.01,-5.61,;4.78,-6.94,;4.41,-4.12,;-2.47,2.94,;-1.7,4.28,)|
Cc1ccc2ncnc(N[C@H]3CC[C@H](CC3)N3CCNC(=O)C3)c2c1 |r,wD:10.9,13.16,(-1.93,7.34,;-2.7,6,;-4.23,6,;-5.01,4.67,;-4.23,3.33,;-5,2,;-4.23,.67,;-2.69,.67,;-1.92,2,;-.38,2,;.38,.67,;-.38,-.67,;.38,-2,;1.93,-2,;2.7,-.67,;1.93,.67,;2.69,-3.33,;4.23,-3.33,;5.01,-4.67,;4.23,-6,;2.69,-6,;1.93,-7.34,;1.92,-4.67,;-2.69,3.33,;-1.93,4.67,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCNC(=O)C3)c2c1 |r,wU:10.9,wD:13.16,(-1.93,7.34,;-2.7,6,;-4.23,6,;-5.01,4.67,;-4.23,3.33,;-5,2,;-4.23,.67,;-2.69,.67,;-1.92,2,;-.38,2,;.38,.67,;1.93,.67,;2.7,-.67,;1.93,-2,;.38,-2,;-.38,-.67,;2.69,-3.33,;4.23,-3.33,;5.01,-4.67,;4.23,-6,;2.69,-6,;1.93,-7.34,;1.92,-4.67,;-2.69,3.33,;-1.93,4.67,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CC(O)C3)c2c1 |r,wU:10.9,wD:13.16,(-1.7,6.94,;-2.47,5.61,;-4.01,5.61,;-4.78,4.28,;-4.01,2.94,;-4.78,1.61,;-4.01,.28,;-2.47,.28,;-1.7,1.61,;-.16,1.61,;.61,.28,;2.15,.28,;2.92,-1.06,;2.15,-2.39,;.61,-2.39,;-.16,-1.06,;2.92,-3.72,;2.52,-5.21,;4.01,-5.61,;4.78,-6.94,;4.41,-4.12,;-2.47,2.94,;-1.7,4.28,)|
Cc1ccc2ncnc(N[C@H]3CC[C@H](CC3)N3CC(O)C3)c2c1 |r,wD:10.9,13.16,(-1.7,6.94,;-2.47,5.61,;-4.01,5.61,;-4.78,4.28,;-4.01,2.94,;-4.78,1.61,;-4.01,.28,;-2.47,.28,;-1.7,1.61,;-.16,1.61,;.61,.28,;-.16,-1.06,;.61,-2.39,;2.15,-2.39,;2.92,-1.06,;2.15,.28,;2.92,-3.72,;2.52,-5.21,;4.01,-5.61,;4.78,-6.94,;4.41,-4.12,;-2.47,2.94,;-1.7,4.28,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)(F)C3)c2c1 |r,wU:10.9,wD:13.16,(-2.44,6.84,;-3.21,5.5,;-4.75,5.5,;-5.52,4.17,;-4.75,2.84,;-5.52,1.5,;-4.75,.17,;-3.21,.17,;-2.44,1.5,;-.9,1.5,;-.13,.17,;1.41,.17,;2.18,-1.16,;1.41,-2.5,;-.13,-2.5,;-.9,-1.16,;2.18,-3.83,;1.7,-5.3,;2.95,-6.2,;4.19,-5.3,;4.19,-6.84,;5.52,-6.07,;3.72,-3.83,;-3.21,2.84,;-2.44,4.17,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC4(COC4)C3)c2c1 |r,wU:10.9,wD:13.16,(-2.83,6.73,;-3.6,5.4,;-5.14,5.4,;-5.91,4.07,;-5.14,2.73,;-5.91,1.4,;-5.14,.07,;-3.6,.07,;-2.83,1.4,;-1.29,1.4,;-.52,.07,;1.02,.07,;1.79,-1.27,;1.02,-2.6,;-.52,-2.6,;-1.29,-1.27,;1.79,-3.94,;1.31,-5.4,;2.56,-6.31,;3.81,-5.4,;4.58,-6.73,;5.91,-5.96,;5.14,-4.63,;3.33,-3.94,;-3.6,2.73,;-2.83,4.07,)|
Cc1ccc2ncnc(N[C@H]3CC[C@H](CC3)N3CC(C3)S(C)(=O)=O)c2c1 |r,wU:10.9,13.16,(-2.37,7.61,;-3.14,6.28,;-4.68,6.28,;-5.45,4.94,;-4.68,3.61,;-5.45,2.28,;-4.68,.94,;-3.14,.94,;-2.37,2.28,;-.83,2.28,;-.06,.94,;1.48,.94,;2.25,-.39,;1.48,-1.72,;-.06,-1.72,;-.83,-.39,;2.25,-3.06,;1.86,-4.55,;3.34,-4.94,;3.74,-3.46,;4.11,-6.28,;4.88,-7.61,;5.45,-5.51,;2.78,-7.05,;-3.14,3.61,;-2.37,4.94,)|
Cc1ccc2ncnc(NC3CCC(CC3)N3CCC(CC3)C(F)(F)F)c2c1 |(-2.69,8,;-3.47,6.67,;-5,6.67,;-5.78,5.33,;-5,4,;-5.77,2.67,;-5,1.33,;-3.46,1.33,;-2.69,2.67,;-1.15,2.67,;-.38,1.33,;-1.15,,;-.38,-1.33,;1.16,-1.33,;1.93,,;1.16,1.33,;1.93,-2.67,;1.15,-4,;1.93,-5.33,;3.47,-5.33,;4.24,-4,;3.47,-2.67,;4.23,-6.67,;3.46,-8,;5.78,-6.67,;5,-8,;-3.46,4,;-2.69,5.33,)|
Cc1ccc2ncnc(NC3CCC(CC3)N3CCC(CC3)C(F)(F)F)c2c1 |(-2.69,8,;-3.46,6.67,;-5,6.67,;-5.77,5.33,;-5,4,;-5.77,2.67,;-5,1.33,;-3.46,1.33,;-2.69,2.67,;-1.15,2.67,;-.38,1.33,;-1.15,,;-.38,-1.33,;1.16,-1.33,;1.93,,;1.16,1.33,;1.93,-2.67,;1.15,-4,;1.93,-5.33,;3.47,-5.33,;4.24,-4,;3.47,-2.67,;4.23,-6.67,;3.46,-8,;5.77,-6.67,;5,-8,;-3.46,4,;-2.69,5.33,)|
Cc1ccc2ncnc(NC3CCC(CC3)N3CCCC(C3)C(F)(F)F)c2c1 |(-3.47,6.67,;-4.24,5.33,;-5.78,5.33,;-6.55,4,;-5.78,2.67,;-6.54,1.33,;-5.78,,;-4.23,,;-3.46,1.33,;-1.93,1.33,;-1.15,,;-1.93,-1.33,;-1.15,-2.67,;.38,-2.67,;1.16,-1.33,;.38,,;1.15,-4,;.38,-5.33,;1.15,-6.67,;2.69,-6.67,;3.47,-5.33,;2.69,-4,;5.01,-5.33,;5.78,-6.67,;5.78,-4,;6.55,-5.33,;-4.23,2.67,;-3.47,4,)|
Cc1ccc2ncnc(NC3CCC(CC3)N3CCCCC3C(F)(F)F)c2c1 |(-1.93,6.67,;-2.7,5.33,;-4.23,5.33,;-5.01,4,;-4.23,2.67,;-5,1.33,;-4.23,,;-2.69,,;-1.92,1.33,;-.38,1.33,;.38,,;-.38,-1.33,;.38,-2.67,;1.93,-2.67,;2.7,-1.33,;1.93,,;2.69,-4,;4.23,-4,;5.01,-5.33,;4.23,-6.67,;2.69,-6.67,;1.92,-5.33,;.38,-5.33,;-.39,-6.67,;-.39,-4,;-1.16,-5.33,;-2.69,2.67,;-1.93,4,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NC3CCOCC3)c2c1 |r,wU:13.16,wD:10.9,(;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;9.34,3.85,;8,4.62,;6.67,3.85,;10.67,4.62,;12,3.85,;13.34,4.62,;14.67,3.85,;14.67,2.31,;13.34,1.54,;12,2.31,;4,-.77,;2.67,,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCC3CCOCC3)c2c1 |r,wU:10.9,wD:13.16,(-1.92,8,;-2.69,6.67,;-4.23,6.67,;-5,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-2.69,1.33,;-1.92,2.67,;-.38,2.67,;.39,1.33,;1.93,1.33,;2.7,,;1.93,-1.33,;.39,-1.33,;-.38,,;2.69,-2.67,;1.92,-4,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;-2.69,4,;-1.92,5.33,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NC3CCOC(C)(C)C3)c2c1 |r,wU:10.9,wD:13.16,(-1.15,8,;-1.92,6.67,;-3.46,6.67,;-4.23,5.33,;-3.46,4,;-4.23,2.67,;-3.46,1.33,;-1.92,1.33,;-1.15,2.67,;.39,2.67,;1.16,1.33,;2.7,1.33,;3.47,,;2.7,-1.33,;1.16,-1.33,;.39,,;3.47,-2.67,;2.69,-4,;1.15,-4,;.38,-5.33,;1.15,-6.67,;2.69,-6.67,;3.46,-8,;4.23,-6.67,;3.47,-5.33,;-1.92,4,;-1.15,5.33,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCc3cccs3)c2c1 |r,wU:13.16,wD:10.9,(-2.93,7.19,;-3.7,5.85,;-5.24,5.85,;-6.01,4.52,;-5.24,3.19,;-6.01,1.85,;-5.24,.52,;-3.7,.52,;-2.93,1.85,;-1.39,1.85,;-.62,.52,;-1.39,-.82,;-.62,-2.15,;.92,-2.15,;1.69,-.82,;.92,.52,;1.69,-3.48,;3.23,-3.48,;4,-4.82,;5.54,-4.82,;6.01,-6.28,;4.77,-7.19,;3.52,-6.28,;-3.7,3.19,;-2.93,4.52,)|
CC(N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12)C1CC1 |r,wU:3.2,wD:6.9,(4.34,-2.56,;3.57,-3.9,;2.03,-3.9,;1.26,-2.56,;-.28,-2.56,;-1.05,-1.23,;-.28,.1,;1.26,.1,;2.03,-1.23,;-1.05,1.44,;-2.59,1.44,;-3.36,.1,;-4.9,.1,;-5.67,1.44,;-4.9,2.77,;-5.67,4.1,;-4.9,5.44,;-3.36,5.44,;-2.59,6.77,;-2.59,4.1,;-3.36,2.77,;4.34,-5.23,;4.34,-6.77,;5.67,-6,)|
CC(CC(F)(F)F)N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12 |r,wU:8.7,wD:11.14,(3.47,-2.67,;2.69,-4,;3.47,-5.33,;5,-5.33,;5.78,-6.67,;5.78,-4,;6.54,-5.33,;1.15,-4,;.39,-2.67,;-1.15,-2.67,;-1.92,-1.33,;-1.15,,;.39,,;1.16,-1.33,;-1.92,1.33,;-3.46,1.33,;-4.23,,;-5.77,,;-6.54,1.33,;-5.77,2.67,;-6.54,4,;-5.77,5.33,;-4.23,5.33,;-3.46,6.67,;-3.46,4,;-4.23,2.67,)|
CC(N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12)C(C)(C)O |r,wU:3.2,wD:6.9,(4.23,-2.67,;3.47,-4,;1.93,-4,;1.16,-2.67,;-.38,-2.67,;-1.15,-1.33,;-.38,,;1.16,,;1.93,-1.33,;-1.15,1.33,;-2.69,1.33,;-3.46,,;-5,,;-5.77,1.33,;-5,2.67,;-5.78,4,;-5,5.33,;-3.47,5.33,;-2.69,6.67,;-2.69,4,;-3.46,2.67,;4.23,-5.33,;3.47,-6.67,;5,-6.67,;5.78,-5.33,)|
CC(C)N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12 |r,wU:4.3,wD:7.10,(5,-6,;4.23,-4.67,;5,-3.33,;2.69,-4.67,;1.93,-3.33,;.39,-3.33,;-.38,-2,;.39,-.67,;1.93,-.67,;2.7,-2,;-.38,.67,;-1.92,.67,;-2.69,-.67,;-4.23,-.67,;-5,.67,;-4.23,2,;-5,3.33,;-4.23,4.67,;-2.69,4.67,;-1.92,6,;-1.92,3.33,;-2.69,2,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCC3CC3)c2c1 |r,wU:13.16,wD:10.9,(-2.59,6.77,;-3.36,5.44,;-4.9,5.44,;-5.67,4.1,;-4.9,2.77,;-5.67,1.44,;-4.9,.1,;-3.36,.1,;-2.59,1.44,;-1.05,1.44,;-.28,.1,;-1.05,-1.23,;-.28,-2.56,;1.26,-2.56,;2.03,-1.23,;1.26,.1,;2.03,-3.9,;3.57,-3.9,;4.34,-5.23,;4.34,-6.77,;5.67,-6,;-3.36,2.77,;-2.59,4.1,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCc3ccnn3C)c2c1 |r,wU:13.16,wD:10.9,(-3.08,7.19,;-3.85,5.85,;-5.39,5.85,;-6.16,4.52,;-5.39,3.19,;-6.16,1.85,;-5.39,.52,;-3.85,.52,;-3.08,1.85,;-1.54,1.85,;-.77,.52,;-1.54,-.82,;-.77,-2.15,;.77,-2.15,;1.54,-.82,;.77,.52,;1.54,-3.48,;3.08,-3.48,;3.85,-4.82,;3.37,-6.28,;4.62,-7.19,;5.87,-6.28,;5.39,-4.82,;6.16,-3.48,;-3.85,3.19,;-3.08,4.52,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCC3(C)COC3)c2c1 |r,wU:13.16,wD:10.9,(-2.69,6.94,;-3.47,5.61,;-5,5.61,;-5.78,4.28,;-5,2.94,;-5.77,1.61,;-5,.28,;-3.46,.28,;-2.69,1.61,;-1.15,1.61,;-.38,.28,;-1.15,-1.06,;-.38,-2.39,;1.16,-2.39,;1.93,-1.06,;1.16,.28,;1.93,-3.72,;3.47,-3.72,;4.23,-5.06,;5.78,-5.06,;2.75,-5.46,;3.15,-6.94,;4.63,-6.55,;-3.46,2.94,;-2.69,4.28,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCCC(F)(F)F)c2c1 |r,wU:13.16,wD:10.9,(-3.46,6.67,;-4.23,5.33,;-5.77,5.33,;-6.54,4,;-5.77,2.67,;-6.54,1.33,;-5.77,,;-4.23,,;-3.46,1.33,;-1.92,1.33,;-1.15,,;-1.92,-1.33,;-1.15,-2.67,;.39,-2.67,;1.16,-1.33,;.39,,;1.15,-4,;2.69,-4,;3.47,-5.33,;5,-5.33,;5.78,-6.67,;5.78,-4,;6.54,-5.33,;-4.23,2.67,;-3.46,4,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCC(C)(C)C)c2c1 |r,wU:13.16,wD:10.9,(-2.69,6.67,;-3.47,5.33,;-5,5.33,;-5.78,4,;-5,2.67,;-5.77,1.33,;-5,,;-3.46,,;-2.69,1.33,;-1.15,1.33,;-.38,,;-1.15,-1.33,;-.38,-2.67,;1.16,-2.67,;1.93,-1.33,;1.16,,;1.93,-4,;3.47,-4,;4.23,-5.33,;5.78,-5.33,;3.47,-6.67,;5,-6.67,;-3.46,2.67,;-2.69,4,)|
CC(N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12)C(F)F |r,wU:3.2,wD:6.9,(4.23,-2.67,;3.47,-4,;1.93,-4,;1.16,-2.67,;-.38,-2.67,;-1.15,-1.33,;-.38,,;1.16,,;1.93,-1.33,;-1.15,1.33,;-2.69,1.33,;-3.46,,;-5,,;-5.77,1.33,;-5,2.67,;-5.78,4,;-5,5.33,;-3.47,5.33,;-2.69,6.67,;-2.69,4,;-3.46,2.67,;4.23,-5.33,;3.47,-6.67,;5.78,-5.33,)|
CC(CS(C)=O)N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12 |r,wU:7.6,wD:10.13,(3.47,-3,;2.69,-4.33,;3.47,-5.67,;5,-5.67,;6.54,-5.67,;5.78,-4.33,;1.15,-4.33,;.39,-3,;-1.15,-3,;-1.92,-1.67,;-1.15,-.33,;.39,-.33,;1.16,-1.67,;-1.92,1,;-3.46,1,;-4.23,-.33,;-5.77,-.33,;-6.54,1,;-5.77,2.34,;-6.54,3.67,;-5.77,5,;-4.23,5,;-3.46,6.34,;-3.46,3.67,;-4.23,2.34,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(\C=C\C3CC3)cc12 |r,wU:3.2,wD:6.9,(10.67,6.16,;10.67,4.62,;12,3.85,;9.34,3.85,;9.34,2.31,;8,1.54,;6.67,2.31,;6.67,3.85,;8,4.62,;5.33,1.54,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-4.21,,;-3.44,1.33,;2.67,,;4,-.77,)|
CN(C)C1CCC(CC1)Nc1ncnc2ccc(C=C)cc12 |(4.62,-4.67,;3.08,-4.67,;2.31,-6,;2.31,-3.33,;.77,-3.33,;,-2,;.77,-.67,;2.31,-.67,;3.08,-2,;,.67,;-1.54,.67,;-2.31,-.67,;-3.85,-.67,;-4.62,.67,;-3.85,2,;-4.62,3.33,;-3.85,4.67,;-2.31,4.67,;-1.54,6,;,6,;-1.54,3.33,;-2.31,2,)|
COC\C=C\c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:14.13,wD:17.20,(-3.21,8.47,;-3.61,6.99,;-2.52,5.9,;-2.92,4.41,;-1.83,3.32,;-2.23,1.83,;-3.72,1.43,;-4.12,-.05,;-3.03,-1.14,;-3.43,-2.63,;-2.34,-3.72,;-.85,-3.32,;-.45,-1.83,;1.04,-1.43,;1.43,-2.92,;2.92,-3.32,;3.32,-4.81,;2.23,-5.9,;.74,-5.5,;.35,-4.01,;2.63,-7.38,;4.12,-7.78,;1.54,-8.47,;-1.54,-.74,;-1.14,.74,)|
CCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(-2.27,6.04,;-3.76,5.64,;-4.16,4.16,;-5.64,3.76,;-6.04,2.27,;-4.95,1.18,;-5.35,-.31,;-4.26,-1.39,;-2.78,-1,;-2.38,.49,;-.89,.89,;.2,-.2,;1.69,.2,;2.78,-.89,;2.38,-2.38,;.89,-2.78,;-.2,-1.69,;3.47,-3.47,;3.07,-4.95,;4.16,-6.04,;5.64,-5.64,;6.04,-4.16,;4.95,-3.07,;-3.47,1.58,;-3.07,3.07,)|
N#CCCCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:14.13,wD:17.20,(13.34,-1.54,;12,-2.31,;10.67,-3.08,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;-2.67,-7.7,;-4,-6.93,;-5.33,-7.7,;-5.33,-9.24,;-4,-10.01,;-2.67,-9.24,;4,-2.31,;5.33,-3.08,)|
CCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:11.10,wD:14.17,(36.06,-7.59,;36.07,-9.13,;37.4,-9.9,;37.4,-11.45,;38.73,-12.22,;40.06,-11.44,;41.4,-12.2,;42.73,-11.43,;42.73,-9.88,;41.39,-9.12,;41.38,-7.58,;42.71,-6.8,;42.7,-5.27,;44.03,-4.5,;45.37,-5.26,;45.37,-6.81,;44.05,-7.58,;46.7,-4.49,;48.04,-5.26,;46.7,-2.95,;40.06,-9.89,;38.73,-9.13,)|
CC(C)c1ccc2ncnc(NC3CCC(CC3)N(C)C)c2c1 |(-2.31,6.67,;-1.54,5.33,;,5.33,;-2.31,4,;-3.85,4,;-4.62,2.67,;-3.85,1.33,;-4.62,,;-3.85,-1.33,;-2.31,-1.33,;-1.54,,;;.77,-1.33,;,-2.67,;.77,-4,;2.31,-4,;3.08,-2.67,;2.31,-1.33,;3.08,-5.33,;4.62,-5.33,;2.31,-6.67,;-2.31,1.33,;-1.54,2.67,)|
CCCCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.12,wD:16.19,(1.93,7.34,;.38,7.34,;-.38,6,;-1.93,6,;-2.7,4.67,;-4.23,4.67,;-5.01,3.33,;-4.23,2,;-5,.67,;-4.23,-.67,;-2.69,-.67,;-1.92,.67,;-.38,.67,;.38,-.67,;1.93,-.67,;2.7,-2,;1.93,-3.33,;.38,-3.33,;-.38,-2,;2.69,-4.67,;1.92,-6,;2.69,-7.34,;4.23,-7.34,;5.01,-6,;4.23,-4.67,;-2.69,2,;-1.93,3.33,)|
CCCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:12.11,wD:15.18,(.38,7.34,;-.38,6,;-1.93,6,;-2.7,4.67,;-4.23,4.67,;-5.01,3.33,;-4.23,2,;-5,.67,;-4.23,-.67,;-2.69,-.67,;-1.92,.67,;-.38,.67,;.38,-.67,;1.93,-.67,;2.7,-2,;1.93,-3.33,;.38,-3.33,;-.38,-2,;2.69,-4.67,;1.92,-6,;2.69,-7.34,;4.23,-7.34,;5.01,-6,;4.23,-4.67,;-2.69,2,;-1.93,3.33,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(CCO)cc12 |r,wU:6.9,wD:3.2,(-2.67,-9.24,;-2.67,-7.7,;-4,-6.93,;-1.33,-6.93,;,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;8,-4.62,;9.34,-5.39,;5.33,-3.08,;4,-2.31,)|
OCCCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.12,wD:16.19,(1.93,7.34,;.38,7.34,;-.38,6,;-1.93,6,;-2.7,4.67,;-4.23,4.67,;-5.01,3.33,;-4.23,2,;-5,.67,;-4.23,-.67,;-2.69,-.67,;-1.92,.67,;-.38,.67,;.38,-.67,;1.93,-.67,;2.7,-2,;1.93,-3.33,;.38,-3.33,;-.38,-2,;2.69,-4.67,;1.92,-6,;2.69,-7.34,;4.23,-7.34,;5.01,-6,;4.23,-4.67,;-2.69,2,;-1.93,3.33,)|
OCCCCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:14.13,wD:17.20,(2.69,8,;1.93,6.67,;.38,6.67,;-.38,5.33,;-1.93,5.33,;-2.7,4,;-4.23,4,;-5.01,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.92,,;-.38,,;.38,-1.33,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;.38,-4,;-.38,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.93,2.67,)|
CC(O)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:15.18,wD:12.11,(-2.31,6.67,;-1.54,5.33,;,5.33,;-2.31,4,;-3.85,4,;-4.62,2.67,;-3.85,1.33,;-4.62,,;-3.85,-1.33,;-2.31,-1.33,;-1.54,,;;.77,-1.33,;,-2.67,;.77,-4,;2.31,-4,;3.08,-2.67,;2.31,-1.33,;3.08,-5.33,;2.31,-6.67,;4.62,-5.33,;-2.31,1.33,;-1.54,2.67,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCS(=O)(=O)CC3)c2c1 |r,wU:13.16,wD:10.9,(;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;9.34,3.85,;8,4.62,;6.67,3.85,;10.67,4.62,;10.67,6.16,;12,6.93,;13.34,6.16,;14.15,7.47,;14.88,6.21,;13.34,4.62,;12,3.85,;4,-.77,;2.67,,)|
Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CC4(COC4)C3)c2c1 |r,wU:10.9,wD:13.16,(8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;-2.67,-7.7,;-4.15,-7.3,;-4.55,-8.79,;-4.95,-10.28,;-6.44,-9.88,;-6.04,-8.39,;-3.07,-9.19,;4,-2.31,;5.33,-3.08,)|
CC(O)CCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:14.13,wD:17.20,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;-2.67,-7.7,;-4,-6.93,;-5.33,-7.7,;-5.33,-9.24,;-4,-10.01,;-2.67,-9.24,;4,-2.31,;5.33,-3.08,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(CO)cc12 |r,wU:6.9,wD:3.2,(-2.67,-9.24,;-2.67,-7.7,;-4,-6.93,;-1.33,-6.93,;,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;9.34,-2.31,;5.33,-3.08,;4,-2.31,)|
N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:4.7,wD:1.0,(14.11,-3.62,;12.78,-4.39,;11.44,-3.63,;10.11,-4.4,;10.12,-5.93,;11.46,-6.7,;12.78,-5.93,;8.79,-6.71,;8.8,-8.25,;10.13,-9.01,;10.14,-10.56,;8.81,-11.33,;7.47,-10.56,;6.14,-11.34,;4.81,-10.57,;4.81,-9.03,;6.14,-8.26,;7.47,-9.02,;3.48,-8.26,;2.14,-7.48,)|
N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(Br)cc12 |r,wU:4.7,wD:1.0,(3.85,-5.33,;3.08,-4,;3.85,-2.67,;3.08,-1.33,;1.54,-1.33,;.77,-2.67,;1.54,-4,;.77,,;-.77,,;-1.54,-1.33,;-3.08,-1.33,;-3.85,,;-3.08,1.33,;-3.85,2.67,;-3.08,4,;-1.54,4,;-.77,5.33,;-.77,2.67,;-1.54,1.33,)|
Brc1ccc2ncnc(O[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.16,wD:10.9,(;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;9.34,3.85,;8,4.62,;6.67,3.85,;10.67,4.62,;10.67,6.16,;12,6.93,;13.34,6.16,;13.34,4.62,;12,3.85,;4,-.77,;2.67,,)|
Brc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.16,wD:10.9,(;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;9.34,3.85,;8,4.62,;6.67,3.85,;10.67,4.62,;10.67,6.16,;12,6.93,;13.34,6.16,;13.34,4.62,;12,3.85,;4,-.77,;2.67,,)|
COc1cc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2cc1OC |r,wU:10.9,wD:13.16,(54.59,-10.73,;55.92,-11.5,;57.26,-10.73,;58.59,-11.5,;59.92,-10.73,;61.26,-11.49,;62.59,-10.72,;62.58,-9.17,;61.25,-8.41,;61.24,-6.87,;62.57,-6.09,;62.56,-4.56,;63.89,-3.79,;65.23,-4.56,;65.23,-6.1,;63.9,-6.87,;66.56,-3.78,;67.9,-4.55,;66.56,-2.24,;59.92,-9.18,;58.59,-8.42,;57.26,-9.19,;55.93,-8.42,;54.59,-9.19,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2cc(F)c(F)cc12 |r,wU:6.9,wD:3.2,(67.11,-17.99,;65.78,-17.22,;65.77,-15.68,;64.44,-17.99,;63.11,-17.22,;61.77,-18,;61.78,-19.53,;63.12,-20.3,;64.44,-19.53,;60.45,-20.31,;60.46,-21.85,;61.8,-22.6,;61.81,-24.15,;60.47,-24.93,;59.14,-24.16,;57.81,-24.94,;56.47,-24.17,;55.14,-24.94,;56.47,-22.62,;55.14,-21.86,;57.8,-21.85,;59.14,-22.62,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:6.9,wD:3.2,(31.71,-18.38,;30.38,-17.61,;30.38,-16.07,;29.05,-18.38,;27.71,-17.61,;26.37,-18.39,;26.38,-19.92,;27.72,-20.69,;29.05,-19.92,;25.06,-20.69,;25.06,-22.23,;26.4,-22.99,;26.41,-24.54,;25.07,-25.32,;23.74,-24.55,;22.41,-25.33,;21.07,-24.56,;21.07,-23.01,;22.4,-22.24,;23.74,-23.01,;19.74,-22.24,;18.41,-21.48,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(Br)cc12 |r,wU:6.9,wD:3.2,(16.64,-34.34,;15.3,-33.58,;15.3,-32.04,;13.97,-34.35,;12.63,-33.58,;11.3,-34.36,;11.31,-35.89,;12.64,-36.66,;13.97,-35.89,;9.98,-36.66,;9.99,-38.2,;11.32,-38.96,;11.33,-40.51,;10,-41.29,;8.66,-40.52,;7.33,-41.3,;6,-40.53,;6,-38.98,;4.67,-38.21,;7.33,-38.21,;8.66,-38.98,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(43.91,-7.07,;45.25,-7.84,;46.58,-8.61,;46.58,-10.16,;47.91,-10.93,;49.24,-10.15,;50.58,-10.92,;51.91,-10.14,;51.9,-8.59,;50.57,-7.83,;50.56,-6.29,;51.89,-5.52,;51.87,-3.99,;53.21,-3.21,;54.55,-3.98,;54.55,-5.52,;53.22,-6.29,;55.88,-3.21,;57.21,-3.98,;58.54,-3.21,;58.54,-1.67,;57.21,-.9,;55.87,-1.67,;49.24,-8.61,;47.91,-7.84,)|
COc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(-.38,6.65,;-1.92,6.65,;-2.69,5.32,;-4.23,5.32,;-5,3.99,;-4.23,2.65,;-5,1.32,;-4.23,-.01,;-2.69,-.01,;-1.92,1.32,;-.38,1.32,;.39,-.01,;1.93,-.01,;2.7,-1.35,;1.93,-2.68,;.39,-2.68,;-.38,-1.35,;2.7,-4.02,;1.93,-5.35,;2.72,-6.65,;4.24,-6.65,;5,-5.33,;4.24,-4.02,;-2.69,2.65,;-1.92,3.99,)|
Fc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:10.9,wD:13.16,(-1.92,6.65,;-2.69,5.32,;-4.23,5.32,;-5,3.99,;-4.23,2.65,;-5,1.32,;-4.23,-.01,;-2.69,-.01,;-1.92,1.32,;-.38,1.32,;.39,-.01,;1.93,-.01,;2.7,-1.35,;1.93,-2.68,;.39,-2.68,;-.38,-1.35,;2.7,-4.02,;1.93,-5.35,;2.72,-6.65,;4.24,-6.65,;5,-5.33,;4.24,-4.02,;-2.69,2.65,;-1.92,3.99,)|
CC(C)Oc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.12,wD:16.19,(.39,7.32,;-.38,5.99,;.39,4.65,;-1.92,5.99,;-2.69,4.65,;-4.23,4.65,;-5,3.32,;-4.23,1.99,;-5,.65,;-4.23,-.68,;-2.69,-.68,;-1.92,.65,;-.38,.65,;.39,-.68,;1.93,-.68,;2.7,-2.02,;1.93,-3.35,;.39,-3.35,;-.38,-2.02,;2.7,-4.68,;1.93,-6.02,;2.72,-7.32,;4.24,-7.32,;5,-6,;4.24,-4.68,;-2.69,1.99,;-1.92,3.32,)|
Fc1cc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2cc1Br |r,wU:9.8,wD:12.15,(-5,6.65,;-4.23,5.32,;-5,3.99,;-4.23,2.65,;-5,1.32,;-4.23,-.01,;-2.69,-.01,;-1.92,1.32,;-.38,1.32,;.39,-.01,;1.93,-.01,;2.7,-1.35,;1.93,-2.68,;.39,-2.68,;-.38,-1.35,;2.7,-4.02,;1.93,-5.35,;2.72,-6.65,;4.24,-6.65,;5,-5.33,;4.24,-4.02,;-2.69,2.65,;-1.92,3.99,;-2.69,5.32,;-1.92,6.65,)|
COc1cc2c(N[C@H]3CC[C@@H](CC3)N3CCOCC3)ncnc2cc1F |r,wU:7.6,wD:10.13,(-.38,6.65,;-1.92,6.65,;-2.69,5.32,;-1.92,3.99,;-2.69,2.65,;-1.92,1.32,;-.38,1.32,;.39,-.01,;1.93,-.01,;2.7,-1.35,;1.93,-2.68,;.39,-2.68,;-.38,-1.35,;2.7,-4.02,;1.93,-5.35,;2.72,-6.65,;4.24,-6.65,;5,-5.33,;4.24,-4.02,;-2.69,-.01,;-4.23,-.01,;-5,1.32,;-4.23,2.65,;-5,3.99,;-4.23,5.32,;-5,6.65,)|
Clc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:10.9,wD:13.16,(-1.92,6.65,;-2.69,5.32,;-4.23,5.32,;-5,3.99,;-4.23,2.65,;-5,1.32,;-4.23,-.01,;-2.69,-.01,;-1.92,1.32,;-.38,1.32,;.39,-.01,;1.93,-.01,;2.7,-1.35,;1.93,-2.68,;.39,-2.68,;-.38,-1.35,;2.7,-4.02,;1.93,-5.35,;2.72,-6.65,;4.24,-6.65,;5,-5.33,;4.24,-4.02,;-2.69,2.65,;-1.92,3.99,)|
COc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:11.10,wD:14.17,(19.39,-7.66,;19.39,-9.2,;20.73,-9.97,;20.72,-11.51,;22.06,-12.28,;23.39,-11.5,;24.72,-12.27,;26.06,-11.5,;26.05,-9.95,;24.71,-9.19,;24.71,-7.65,;26.03,-6.87,;26.02,-5.34,;27.36,-4.57,;28.7,-5.33,;28.7,-6.87,;27.37,-7.64,;30.03,-4.56,;31.36,-5.33,;30.03,-3.02,;23.39,-9.96,;22.05,-9.2,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(OCC#N)cc12 |r,wU:3.2,wD:6.9,(2.31,-6,;3.08,-4.67,;4.62,-4.67,;2.31,-3.33,;.77,-3.33,;,-2,;.77,-.67,;2.31,-.67,;3.08,-2,;,.67,;-1.54,.67,;-2.31,-.67,;-3.85,-.67,;-4.62,.67,;-3.85,2,;-4.62,3.33,;-3.85,4.67,;-2.31,4.67,;-1.54,6,;,6,;.77,4.67,;1.54,3.33,;-1.54,3.33,;-2.31,2,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(OCCCC#N)cc12 |r,wU:3.2,wD:6.9,(2.31,-6,;3.08,-4.67,;4.62,-4.67,;2.31,-3.33,;.77,-3.33,;,-2,;.77,-.67,;2.31,-.67,;3.08,-2,;,.67,;-1.54,.67,;-2.31,-.67,;-3.85,-.67,;-4.62,.67,;-3.85,2,;-4.62,3.33,;-3.85,4.67,;-2.31,4.67,;-1.54,6,;,6,;.77,4.67,;2.31,4.67,;3.08,3.33,;3.85,2,;-1.54,3.33,;-2.31,2,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(OCC(N)=O)cc12 |r,wU:3.2,wD:6.9,(2.31,-7.34,;3.08,-6,;4.62,-6,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,4.67,;,4.67,;.77,6,;2.31,6,;,7.34,;-1.54,2,;-2.31,.67,)|
N#Cc1ccc2ncnc(NC3CCC([C@@H]4C[C@H]34)N3CCOCC3)c2c1 |r|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC3)c2c1 |r,wU:11.10,wD:14.17,(1.49,-18.86,;2.83,-19.63,;4.17,-20.4,;4.16,-21.94,;5.5,-22.72,;6.83,-21.94,;8.17,-22.7,;9.5,-21.93,;9.49,-20.38,;8.16,-19.62,;8.15,-18.08,;9.48,-17.3,;9.46,-15.77,;10.8,-15,;12.14,-15.76,;12.14,-17.31,;10.81,-18.08,;13.47,-14.99,;14.95,-15.39,;15.35,-13.9,;13.86,-13.5,;6.83,-20.39,;5.49,-19.63,)|
FC(F)(F)C1CCCN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:10.10,wD:13.17,(5.78,-4.67,;5,-6,;5.78,-7.34,;6.54,-6,;3.47,-6,;2.69,-7.34,;1.15,-7.34,;.38,-6,;1.15,-4.67,;2.69,-4.67,;.38,-3.33,;-1.15,-3.33,;-1.93,-2,;-1.15,-.67,;.38,-.67,;1.15,-2,;-1.93,.67,;-3.47,.67,;-4.23,-.67,;-5.78,-.67,;-6.54,.67,;-5.78,2,;-6.54,3.33,;-5.78,4.67,;-4.23,4.67,;-3.47,3.33,;-4.23,2,;-3.47,6,;-2.69,7.34,)|
FC(F)(F)C1CCCN(C1)C1CCC(CC1)Nc1ncnc2ccc(cc12)C#N |(5.78,-4.67,;5,-6,;5.78,-7.34,;6.54,-6,;3.47,-6,;2.69,-7.34,;1.15,-7.34,;.38,-6,;1.15,-4.67,;2.69,-4.67,;.38,-3.33,;1.15,-2,;.38,-.67,;-1.15,-.67,;-1.93,-2,;-1.15,-3.33,;-1.93,.67,;-3.47,.67,;-4.23,-.67,;-5.78,-.67,;-6.54,.67,;-5.78,2,;-6.54,3.33,;-5.78,4.67,;-4.23,4.67,;-3.47,3.33,;-4.23,2,;-3.47,6,;-2.69,7.34,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@H](CC3)N3CCC3)c2c1 |r,wU:14.17,11.10,(-.74,6.94,;-1.51,5.61,;-2.28,4.28,;-3.82,4.28,;-4.59,2.94,;-3.82,1.61,;-4.59,.28,;-3.82,-1.06,;-2.28,-1.06,;-1.51,.28,;.03,.28,;.8,-1.06,;2.34,-1.06,;3.11,-2.39,;2.34,-3.72,;.8,-3.72,;.03,-2.39,;3.11,-5.06,;2.71,-6.55,;4.2,-6.94,;4.59,-5.46,;-2.28,1.61,;-1.51,2.94,)|
CC1OCCN([C@H]2CC[C@@H](CC2)Nc2ncnc3ccc(cc23)C#N)C1C |r,wU:6.5,wD:9.12,(5.78,-6,;4.23,-6,;3.47,-7.34,;1.93,-7.34,;1.15,-6,;1.93,-4.67,;1.15,-3.33,;-.38,-3.33,;-1.15,-2,;-.38,-.67,;1.15,-.67,;1.93,-2,;-1.15,.67,;-2.69,.67,;-3.47,-.67,;-5,-.67,;-5.78,.67,;-5,2,;-5.78,3.33,;-5,4.67,;-3.47,4.67,;-2.69,3.33,;-3.47,2,;-2.69,6,;-1.93,7.34,;3.47,-4.67,;4.23,-3.33,)|
CC1OCCN([C@@H]2CC[C@@H](CC2)Nc2ncnc3ccc(cc23)C#N)C1C |r,wU:6.5,9.12,(5.78,-6,;4.23,-6,;3.47,-7.34,;1.93,-7.34,;1.15,-6,;1.93,-4.67,;1.15,-3.33,;1.93,-2,;1.15,-.67,;-.38,-.67,;-1.15,-2,;-.38,-3.33,;-1.15,.67,;-2.69,.67,;-3.47,-.67,;-5,-.67,;-5.78,.67,;-5,2,;-5.78,3.33,;-5,4.67,;-3.47,4.67,;-2.69,3.33,;-3.47,2,;-2.69,6,;-1.93,7.34,;3.47,-4.67,;4.23,-3.33,)|
C[C@H]1CN(C[C@@H](C)O1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:11.15,5.5,1.0,wD:8.8,(5.78,2.67,;4.23,2.67,;3.47,1.33,;1.93,1.33,;1.15,2.67,;1.93,4,;1.15,5.33,;3.47,4,;1.15,,;-.38,,;-1.15,-1.33,;-.38,-2.67,;1.15,-2.67,;1.93,-1.33,;-1.15,-4,;-2.69,-4,;-3.47,-5.33,;-5,-5.33,;-5.78,-4,;-5,-2.67,;-5.78,-1.33,;-5,,;-3.47,,;-2.69,-1.33,;-3.47,-2.67,;-2.69,1.33,;-1.93,2.67,)|
CS(=O)(=O)C1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(3,5.44,;4.34,4.67,;5.11,6,;5.67,3.9,;3.57,3.33,;4.34,2,;3.57,.67,;2.03,.67,;1.26,2,;2.03,3.33,;1.26,-.67,;-.28,-.67,;-1.05,-2,;-.28,-3.33,;1.26,-3.33,;2.03,-2,;-1.05,-4.67,;-2.59,-4.67,;-3.36,-6,;-4.9,-6,;-5.67,-4.67,;-4.9,-3.33,;-5.67,-2,;-4.9,-.67,;-3.36,-.67,;-2.59,-2,;-3.36,-3.33,;-2.59,.67,;-1.82,2,)|
OCC1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:11.15,wD:8.8,(6.16,4.67,;5.39,3.33,;3.85,3.33,;3.08,2,;1.54,2,;.77,3.33,;1.54,4.67,;3.08,4.67,;.77,.67,;-.77,.67,;-1.54,-.67,;-.77,-2,;.77,-2,;1.54,-.67,;-1.54,-3.33,;-3.08,-3.33,;-3.85,-4.67,;-5.39,-4.67,;-6.16,-3.33,;-5.39,-2,;-6.16,-.67,;-5.39,.67,;-3.85,.67,;-3.08,-.67,;-3.85,-2,;-3.08,2,;-2.31,3.33,)|
CS(=O)(=O)C1CCN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:12.16,wD:9.9,(2.59,5.07,;4.08,4.67,;5.56,4.27,;4.47,6.16,;3.68,3.18,;4.45,1.85,;3.68,.51,;2.14,.51,;1.37,1.85,;1.37,-.82,;-.17,-.82,;-.94,-2.15,;-.17,-3.49,;1.37,-3.49,;2.14,-2.15,;-.94,-4.82,;-2.48,-4.82,;-3.25,-6.16,;-4.79,-6.16,;-5.56,-4.82,;-4.79,-3.49,;-5.56,-2.15,;-4.79,-.82,;-3.25,-.82,;-2.48,-2.15,;-3.25,-3.49,;-2.48,.51,;-1.71,1.85,)|
CC1CN(CC(C)O1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:11.15,wD:8.8,(5.78,2.67,;4.24,2.67,;3.46,1.33,;1.92,1.33,;1.15,2.67,;1.92,4,;1.15,5.33,;3.47,4,;1.15,,;-.39,,;-1.16,-1.33,;-.39,-2.67,;1.15,-2.67,;1.92,-1.33,;-1.16,-4,;-2.7,-4,;-3.47,-5.33,;-5.01,-5.33,;-5.78,-4,;-5.01,-2.67,;-5.78,-1.33,;-5.01,,;-3.47,,;-2.7,-1.33,;-3.47,-2.67,;-2.7,1.33,;-1.93,2.67,)|
CC1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:10.14,wD:7.7,(5.78,3.33,;4.24,3.33,;3.46,2,;1.92,2,;1.15,3.33,;1.92,4.67,;3.47,4.67,;1.15,.67,;-.39,.67,;-1.16,-.67,;-.39,-2,;1.15,-2,;1.92,-.67,;-1.16,-3.33,;-2.7,-3.33,;-3.47,-4.67,;-5.01,-4.67,;-5.78,-3.33,;-5.01,-2,;-5.78,-.67,;-5.01,.67,;-3.47,.67,;-2.7,-.67,;-3.47,-2,;-2.7,2,;-1.93,3.33,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3C[C@@H]4C[C@H]3CO4)c2c1 |r,wU:14.17,21.21,19.20,wD:11.10,(-1.15,8,;-1.93,6.67,;-2.69,5.33,;-4.23,5.33,;-5,4,;-4.23,2.67,;-5,1.33,;-4.23,,;-2.69,,;-1.93,1.33,;-.38,1.33,;.38,,;-.38,-1.33,;.38,-2.67,;1.93,-2.67,;2.69,-1.33,;1.93,,;2.69,-4,;1.93,-5.33,;2.69,-6.67,;3.96,-5.62,;4.23,-4,;5,-5.33,;4.23,-6.67,;-2.69,2.67,;-1.93,4,)|
FC1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:10.14,wD:7.7,(39.31,-24.69,;37.97,-25.45,;37.97,-26.99,;36.64,-27.76,;35.31,-26.99,;35.3,-25.45,;36.64,-24.68,;33.98,-27.76,;32.64,-26.99,;31.3,-27.77,;31.32,-29.3,;32.65,-30.07,;33.98,-29.3,;29.99,-30.08,;30,-31.61,;31.33,-32.37,;31.34,-33.92,;30.01,-34.7,;28.67,-33.93,;27.34,-34.71,;26.01,-33.94,;26.01,-32.39,;27.34,-31.62,;28.67,-32.39,;24.68,-31.62,;23.34,-30.85,)|
CS(=O)(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(38.83,-2.39,;37.49,-1.61,;36.72,-.27,;38.26,-.27,;36.16,-2.38,;36.15,-3.92,;34.83,-4.69,;33.5,-3.92,;33.49,-2.38,;34.83,-1.61,;32.17,-4.69,;30.83,-3.92,;29.49,-4.69,;29.51,-6.23,;30.84,-7,;32.17,-6.23,;28.18,-7,;28.19,-8.54,;29.52,-9.3,;29.53,-10.85,;28.2,-11.62,;26.86,-10.86,;25.53,-11.63,;24.19,-10.86,;24.2,-9.32,;25.53,-8.55,;26.86,-9.31,;22.86,-8.55,;21.52,-7.78,)|
FC(F)(F)CN[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:9.12,wD:6.5,(2.31,-8,;3.08,-6.67,;4.62,-6.67,;3.85,-8,;2.31,-5.33,;3.08,-4,;2.31,-2.67,;3.08,-1.33,;2.31,,;.77,,;,-1.33,;.77,-2.67,;,1.33,;-1.54,1.33,;-2.31,,;-3.85,,;-4.62,1.33,;-3.85,2.67,;-4.62,4,;-3.85,5.33,;-2.31,5.33,;-1.54,4,;-2.31,2.67,;-1.54,6.67,;-.77,8,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:8.11,wD:5.4,(3.85,-8.67,;3.08,-7.34,;3.85,-6,;3.08,-4.67,;3.85,-3.33,;3.08,-2,;3.85,-.67,;3.08,.67,;1.54,.67,;.77,-.67,;1.54,-2,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,2,;-3.08,3.33,;-3.85,4.67,;-3.08,6,;-1.54,6,;-.77,4.67,;-1.54,3.33,;-.77,7.34,;,8.67,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NC3CC3)c2c1 |r,wU:11.10,wD:14.17,(,7.44,;-.77,6.1,;-1.54,4.77,;-3.08,4.77,;-3.85,3.44,;-3.08,2.1,;-3.85,.77,;-3.08,-.56,;-1.54,-.56,;-.77,.77,;.77,.77,;1.54,-.56,;3.08,-.56,;3.85,-1.9,;3.08,-3.23,;1.54,-3.23,;.77,-1.9,;3.85,-4.56,;3.08,-5.9,;3.08,-7.44,;1.75,-6.67,;-1.54,2.1,;-.77,3.44,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOC4CCCC34)c2c1 |r,wU:11.10,wD:14.17,(-1.99,7.34,;-2.76,6,;-3.53,4.67,;-5.07,4.67,;-5.84,3.33,;-5.07,2,;-5.84,.67,;-5.07,-.67,;-3.53,-.67,;-2.76,.67,;-1.22,.67,;-.45,-.67,;1.09,-.67,;1.86,-2,;1.09,-3.33,;-.45,-3.33,;-1.22,-2,;1.86,-4.67,;1.09,-6,;1.86,-7.34,;3.4,-7.34,;4.17,-6,;5.68,-5.68,;5.84,-4.15,;4.43,-3.52,;3.4,-4.67,;-3.53,2,;-2.76,3.33,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCCC4COCCC34)c2c1 |r,wU:11.10,wD:14.17,(-2.31,7.34,;-3.08,6,;-3.85,4.67,;-5.39,4.67,;-6.16,3.33,;-5.39,2,;-6.16,.67,;-5.39,-.67,;-3.85,-.67,;-3.08,.67,;-1.54,.67,;-.77,-.67,;.77,-.67,;1.54,-2,;.77,-3.33,;-.77,-3.33,;-1.54,-2,;1.54,-4.67,;.77,-6,;1.54,-7.34,;3.08,-7.34,;3.85,-6,;5.39,-6,;6.16,-4.67,;5.39,-3.33,;3.85,-3.33,;3.08,-4.67,;-3.85,2,;-3.08,3.33,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOC4(CC4)C3)c2c1 |r,wU:11.10,wD:14.17,(-1.15,8.11,;-1.93,6.77,;-2.69,5.44,;-4.23,5.44,;-5,4.1,;-4.23,2.77,;-5,1.44,;-4.23,.1,;-2.69,.1,;-1.93,1.44,;-.38,1.44,;.38,.1,;1.93,.1,;2.69,-1.23,;1.93,-2.56,;.38,-2.56,;-.38,-1.23,;2.69,-3.9,;4.23,-3.9,;5,-5.23,;4.23,-6.57,;2.69,-6.57,;2.69,-8.11,;1.36,-7.34,;1.93,-5.23,;-2.69,2.77,;-1.93,4.1,)|
FCC1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:11.15,wD:8.8,(.38,-8,;1.93,-8,;2.69,-6.67,;1.93,-5.33,;2.69,-4,;4.23,-4,;5,-5.33,;4.23,-6.67,;1.93,-2.67,;2.69,-1.33,;1.93,,;.38,,;-.38,-1.33,;.38,-2.67,;-.38,1.33,;-1.93,1.33,;-2.69,,;-4.23,,;-5,1.33,;-4.23,2.67,;-5,4,;-4.23,5.33,;-2.69,5.33,;-1.93,4,;-2.69,2.67,;-1.93,6.67,;-1.15,8,)|
C[C@H]1COCCN1[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:10.14,1.0,wD:7.7,(5,-3.33,;4.23,-4.67,;5,-6,;4.23,-7.34,;2.69,-7.34,;1.93,-6,;2.69,-4.67,;1.93,-3.33,;2.69,-2,;1.93,-.67,;.38,-.67,;-.38,-2,;.38,-3.33,;-.38,.67,;-1.93,.67,;-2.69,-.67,;-4.23,-.67,;-5,.67,;-4.23,2,;-5,3.33,;-4.23,4.67,;-2.69,4.67,;-1.93,3.33,;-2.69,2,;-1.93,6,;-1.15,7.34,)|
COC1CN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:9.13,wD:6.6,(5.55,-7.61,;4.01,-7.61,;3.24,-6.28,;1.75,-5.88,;2.15,-4.39,;3.64,-4.79,;1.38,-3.06,;2.15,-1.72,;1.38,-.39,;-.16,-.39,;-.93,-1.72,;-.16,-3.06,;-.93,.94,;-2.47,.94,;-3.24,-.39,;-4.78,-.39,;-5.55,.94,;-4.78,2.28,;-5.55,3.61,;-4.78,4.94,;-3.24,4.94,;-2.47,3.61,;-3.24,2.28,;-2.47,6.28,;-1.7,7.61,)|
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:10.14,wD:7.7,(18.28,-33.72,;16.95,-34.49,;16.94,-36.03,;15.61,-36.8,;14.28,-36.03,;14.27,-34.49,;15.61,-33.72,;12.95,-36.8,;11.61,-36.03,;10.28,-36.8,;10.29,-38.34,;11.63,-39.11,;12.95,-38.34,;8.96,-39.11,;8.97,-40.65,;10.31,-41.41,;10.31,-42.96,;8.98,-43.73,;7.65,-42.97,;6.31,-43.75,;4.98,-42.98,;4.98,-41.43,;6.31,-40.66,;7.64,-41.43,;3.65,-40.66,;2.31,-39.89,)|
C[C@@H]1COCCN1[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:10.14,wD:7.7,1.0,(5,-3.33,;4.23,-4.67,;5,-6,;4.23,-7.34,;2.69,-7.34,;1.93,-6,;2.69,-4.67,;1.93,-3.33,;2.69,-2,;1.93,-.67,;.38,-.67,;-.38,-2,;.38,-3.33,;-.38,.67,;-1.93,.67,;-2.69,-.67,;-4.23,-.67,;-5,.67,;-4.23,2,;-5,3.33,;-4.23,4.67,;-2.69,4.67,;-1.93,3.33,;-2.69,2,;-1.93,6,;-1.15,7.34,)|
CN(C1CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:5.5,wD:8.12,(1.64,-6.67,;2.41,-5.33,;3.95,-5.33,;5.29,-4.56,;5.29,-6.1,;1.64,-4,;.1,-4,;-.67,-2.67,;.1,-1.33,;1.64,-1.33,;2.41,-2.67,;-.67,,;-2.21,,;-2.98,-1.33,;-4.52,-1.33,;-5.29,,;-4.52,1.33,;-5.29,2.67,;-4.52,4,;-2.98,4,;-2.21,2.67,;-2.98,1.33,;-2.21,5.33,;-1.44,6.67,)|
FC1(F)CCCN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:8.8,wD:11.15,(5.67,-6.77,;4.34,-6,;5.67,-5.23,;3.57,-7.34,;2.03,-7.34,;1.26,-6,;2.03,-4.67,;3.57,-4.67,;1.26,-3.33,;-.28,-3.33,;-1.05,-2,;-.28,-.67,;1.26,-.67,;2.03,-2,;-1.05,.67,;-2.59,.67,;-3.36,-.67,;-4.9,-.67,;-5.67,.67,;-4.9,2,;-5.67,3.33,;-4.9,4.67,;-3.36,4.67,;-2.59,3.33,;-3.36,2,;-2.59,6,;-1.82,7.34,)|
O[C@H]1CCN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:6.6,1.0,wD:9.13,(5.52,-7.05,;4.19,-6.28,;2.95,-7.19,;1.7,-6.28,;2.18,-4.82,;3.72,-4.82,;1.41,-3.48,;-.13,-3.48,;-.9,-2.15,;-.13,-.82,;1.41,-.82,;2.18,-2.15,;-.9,.52,;-2.44,.52,;-3.21,-.82,;-4.75,-.82,;-5.52,.52,;-4.75,1.85,;-5.52,3.19,;-4.75,4.52,;-3.21,4.52,;-2.44,3.19,;-3.21,1.85,;-2.44,5.85,;-1.67,7.19,)|
FC1CCCN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:7.7,wD:10.14,(1.93,-8,;2.69,-6.67,;4.23,-6.67,;5,-5.33,;4.23,-4,;2.69,-4,;1.93,-5.33,;1.93,-2.67,;.38,-2.67,;-.38,-1.33,;.38,,;1.93,,;2.69,-1.33,;-.38,1.33,;-1.93,1.33,;-2.69,,;-4.23,,;-5,1.33,;-4.23,2.67,;-5,4,;-4.23,5.33,;-2.69,5.33,;-1.93,4,;-2.69,2.67,;-1.93,6.67,;-1.15,8,)|
CC1(O)CCN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:7.7,wD:10.14,(4.19,-7.5,;4.19,-5.96,;5.52,-6.73,;2.95,-6.87,;1.7,-5.96,;2.18,-4.5,;3.72,-4.5,;1.41,-3.17,;-.13,-3.17,;-.9,-1.83,;-.13,-.5,;1.41,-.5,;2.18,-1.83,;-.9,.84,;-2.44,.84,;-3.21,-.5,;-4.75,-.5,;-5.52,.84,;-4.75,2.17,;-5.52,3.5,;-4.75,4.84,;-3.21,4.84,;-2.44,3.5,;-3.21,2.17,;-2.44,6.17,;-1.67,7.5,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CC(C3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(-2.08,8.95,;-2.85,7.61,;-3.62,6.28,;-5.16,6.28,;-5.93,4.94,;-5.16,3.61,;-5.93,2.28,;-5.16,.94,;-3.62,.94,;-2.85,2.28,;-1.31,2.28,;-.54,.94,;1,.94,;1.77,-.39,;1,-1.72,;-.54,-1.72,;-1.31,-.39,;1.77,-3.06,;1.37,-4.55,;2.85,-4.94,;3.25,-3.46,;3.62,-6.28,;2.85,-7.61,;3.62,-8.95,;5.16,-8.95,;5.93,-7.61,;5.16,-6.28,;-3.62,3.61,;-2.85,4.94,)|
O[C@@H]1CCN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:6.6,wD:9.13,1.0,(5.52,-7.05,;4.19,-6.28,;2.95,-7.19,;1.7,-6.28,;2.18,-4.82,;3.72,-4.82,;1.41,-3.48,;-.13,-3.48,;-.9,-2.15,;-.13,-.82,;1.41,-.82,;2.18,-2.15,;-.9,.52,;-2.44,.52,;-3.21,-.82,;-4.75,-.82,;-5.52,.52,;-4.75,1.85,;-5.52,3.19,;-4.75,4.52,;-3.21,4.52,;-2.44,3.19,;-3.21,1.85,;-2.44,5.85,;-1.67,7.19,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC4OCCC34)c2c1 |r,wU:11.10,wD:14.17,(-1.01,7.92,;-1.78,6.59,;-2.55,5.25,;-4.09,5.25,;-4.86,3.92,;-4.09,2.58,;-4.86,1.25,;-4.09,-.08,;-2.55,-.08,;-1.78,1.25,;-.24,1.25,;.53,-.08,;2.07,-.08,;2.84,-1.42,;2.07,-2.75,;.53,-2.75,;-.24,-1.42,;2.84,-4.08,;4.38,-4.08,;4.86,-5.55,;3.61,-6.45,;3.14,-7.92,;1.6,-7.92,;1.12,-6.45,;2.37,-5.55,;-2.55,2.58,;-1.78,3.92,)|
CO[C@@H]1CCN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:7.7,wD:10.14,2.1,(6.19,-6.28,;4.86,-7.05,;3.52,-6.28,;2.28,-7.19,;1.03,-6.28,;1.51,-4.82,;3.05,-4.82,;.74,-3.48,;-.8,-3.48,;-1.57,-2.15,;-.8,-.82,;.74,-.82,;1.51,-2.15,;-1.57,.52,;-3.11,.52,;-3.88,-.82,;-5.42,-.82,;-6.19,.52,;-5.42,1.85,;-6.19,3.19,;-5.42,4.52,;-3.88,4.52,;-3.11,3.19,;-3.88,1.85,;-3.11,5.85,;-2.34,7.19,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCCC(CN4CCOCC4)C3)c2c1 |r,wU:14.17,wD:11.10,(-1.15,10,;-1.93,8.67,;-2.69,7.34,;-4.23,7.34,;-5,6,;-4.23,4.67,;-5,3.33,;-4.23,2,;-2.69,2,;-1.93,3.33,;-.38,3.33,;.38,2,;-.38,.67,;.38,-.67,;1.93,-.67,;2.69,.67,;1.93,2,;2.69,-2,;4.23,-2,;5,-3.33,;4.23,-4.67,;2.69,-4.67,;1.93,-6,;2.69,-7.34,;1.93,-8.67,;2.69,-10,;4.23,-10,;5,-8.67,;4.23,-7.34,;1.93,-3.33,;-2.69,4.67,;-1.93,6,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(CN4CCOCC4)CC3)c2c1 |r,wU:11.10,wD:14.17,(-1.15,10,;-1.93,8.67,;-2.69,7.34,;-4.23,7.34,;-5,6,;-4.23,4.67,;-5,3.33,;-4.23,2,;-2.69,2,;-1.93,3.33,;-.38,3.33,;.38,2,;1.93,2,;2.69,.67,;1.93,-.67,;.38,-.67,;-.38,.67,;2.69,-2,;1.93,-3.33,;2.69,-4.67,;4.23,-4.67,;5,-6,;4.23,-7.34,;2.69,-7.34,;1.93,-8.67,;2.69,-10,;4.23,-10,;5,-8.67,;5,-3.33,;4.23,-2,;-2.69,4.67,;-1.93,6,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCCC3)c2c1 |r,wU:11.10,wD:14.17,(2.37,-28.88,;3.71,-29.65,;5.04,-30.42,;5.04,-31.97,;6.38,-32.74,;7.71,-31.96,;9.05,-32.73,;10.38,-31.95,;10.37,-30.4,;9.03,-29.64,;9.03,-28.1,;10.36,-27.33,;10.34,-25.8,;11.68,-25.02,;13.02,-25.79,;13.02,-27.33,;11.69,-28.1,;14.35,-25.02,;15.76,-25.63,;16.79,-24.49,;16.02,-23.16,;14.51,-23.48,;7.71,-30.42,;6.37,-29.65,)|
CC(C)(C)OC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:13.13,wD:16.20,(6.93,-8,;5.39,-8,;4.62,-9.34,;6.16,-6.67,;4.62,-6.67,;3.08,-6.67,;2.31,-8,;2.31,-5.33,;.77,-5.33,;,-4,;.77,-2.67,;2.31,-2.67,;3.08,-4,;,-1.33,;-1.54,-1.33,;-2.31,,;-1.54,1.33,;,1.33,;.77,,;-2.31,2.67,;-3.85,2.67,;-4.62,1.33,;-6.16,1.33,;-6.93,2.67,;-6.16,4,;-6.93,5.33,;-6.16,6.67,;-4.62,6.67,;-3.85,5.33,;-4.62,4,;-3.85,8,;-3.08,9.34,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCCC(CN4CCOCC4)C3)c2c1 |r,wU:11.10,wD:14.17,(-3.47,8.67,;-4.23,7.34,;-5,6,;-6.54,6,;-7.31,4.67,;-6.54,3.33,;-7.31,2,;-6.54,.67,;-5,.67,;-4.23,2,;-2.69,2,;-1.93,.67,;-.38,.67,;.38,-.67,;-.38,-2,;-1.93,-2,;-2.69,-.67,;.38,-3.33,;-.38,-4.67,;.38,-6,;1.93,-6,;2.69,-4.67,;4.23,-4.67,;5,-6,;4.23,-7.34,;5,-8.67,;6.54,-8.67,;7.31,-7.34,;6.54,-6,;1.93,-3.33,;-5,3.33,;-4.23,4.67,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3C4CCC3COC4)c2c1 |r,wU:11.10,wD:14.17,(-1.54,7.74,;-2.31,6.4,;-3.08,5.07,;-4.62,5.07,;-5.39,3.74,;-4.62,2.4,;-5.39,1.07,;-4.62,-.26,;-3.08,-.26,;-2.31,1.07,;-.77,1.07,;0,-.26,;1.54,-.26,;2.31,-1.6,;1.54,-2.93,;0,-2.93,;-.77,-1.6,;2.31,-4.26,;1.84,-5.73,;3.08,-6.63,;4.33,-5.73,;3.85,-4.26,;5.39,-4.92,;4.95,-7.74,;1.74,-7.16,;-3.08,2.4,;-2.31,3.74,)|
FC(F)(F)C1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:10.10,wD:13.17,(5.78,-4.67,;5,-6,;5.78,-7.34,;6.54,-6,;3.47,-6,;2.69,-4.67,;1.15,-4.67,;.38,-6,;1.15,-7.34,;2.69,-7.34,;.38,-3.33,;-1.15,-3.33,;-1.93,-2,;-1.15,-.67,;.38,-.67,;1.15,-2,;-1.93,.67,;-3.47,.67,;-4.23,-.67,;-5.78,-.67,;-6.54,.67,;-5.78,2,;-6.54,3.33,;-5.78,4.67,;-4.23,4.67,;-3.47,3.33,;-4.23,2,;-3.47,6,;-2.69,7.34,)|
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3C[C@@H]4CC[C@H](C3)O4)c2c1 |r,wU:14.17,22.22,wD:11.10,19.26,(-1.82,8,;-2.59,6.67,;-3.36,5.33,;-4.9,5.33,;-5.67,4,;-4.9,2.67,;-5.67,1.33,;-4.9,,;-3.36,,;-2.59,1.33,;-1.05,1.33,;-.28,,;-1.05,-1.33,;-.28,-2.67,;1.26,-2.67,;2.03,-1.33,;1.26,,;2.03,-4,;1.26,-5.33,;2.03,-6.67,;2.8,-8,;5.11,-6.67,;4.34,-5.33,;3.57,-4,;3.57,-6.67,;-3.36,2.67,;-2.59,4,)|
CC1(C)CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:11.15,wD:8.8,(5.39,-7.34,;4.62,-6,;5.39,-4.67,;3.85,-4.67,;2.31,-4.67,;1.54,-6,;2.31,-7.34,;3.85,-7.34,;1.54,-3.33,;2.31,-2,;1.54,-.67,;,-.67,;-.77,-2,;,-3.33,;-.77,.67,;-2.31,.67,;-3.08,-.67,;-4.62,-.67,;-5.39,.67,;-4.62,2,;-5.39,3.33,;-4.62,4.67,;-3.08,4.67,;-2.31,3.33,;-3.08,2,;-2.31,6,;-1.54,7.34,)|
CC(C)[C@@H]1COCCN1[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:12.16,wD:9.9,3.2,(3.47,-2,;4.23,-3.33,;5.78,-3.33,;3.47,-4.67,;4.23,-6,;3.47,-7.34,;1.93,-7.34,;1.15,-6,;1.93,-4.67,;1.15,-3.33,;1.93,-2,;1.15,-.67,;-.38,-.67,;-1.15,-2,;-.38,-3.33,;-1.15,.67,;-2.69,.67,;-3.47,-.67,;-5,-.67,;-5.78,.67,;-5,2,;-5.78,3.33,;-5,4.67,;-3.47,4.67,;-2.69,3.33,;-3.47,2,;-2.69,6,;-1.93,7.34,)|
FC1(F)CCCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:12.16,wD:9.9,(2.04,-8.07,;3.37,-7.3,;4.7,-8.07,;4.76,-6.64,;5.1,-5.13,;4.14,-3.93,;2.6,-3.93,;1.64,-5.13,;1.98,-6.64,;1.83,-2.6,;2.6,-1.26,;1.83,.07,;.29,.07,;-.48,-1.26,;.29,-2.6,;-.48,1.41,;-2.02,1.41,;-2.79,.07,;-4.33,.07,;-5.1,1.41,;-4.33,2.74,;-5.1,4.07,;-4.33,5.41,;-2.79,5.41,;-2.02,4.07,;-2.79,2.74,;-2.02,6.74,;-1.25,8.07,)|
FC1(F)CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:11.15,wD:8.8,(39.43,-35.02,;38.67,-36.36,;40.21,-36.35,;38.67,-37.9,;37.34,-38.66,;36.01,-37.89,;36,-36.35,;37.34,-35.59,;34.68,-38.66,;33.35,-37.9,;32.01,-38.67,;32.02,-40.2,;33.36,-40.97,;34.68,-40.2,;30.69,-40.98,;30.7,-42.52,;32.04,-43.28,;32.05,-44.83,;30.71,-45.6,;29.38,-44.83,;28.04,-45.61,;26.71,-44.84,;26.71,-43.3,;28.04,-42.53,;29.37,-43.29,;25.38,-42.53,;24.04,-41.76,)|
OC1CCN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:9.13,wD:6.6,(3.61,-7.96,;3.61,-6.42,;4.86,-5.51,;4.38,-4.05,;2.84,-4.05,;2.37,-5.51,;2.07,-2.71,;2.84,-1.38,;2.07,-.05,;.53,-.05,;-.24,-1.38,;.53,-2.71,;-.24,1.29,;-1.78,1.29,;-2.55,-.05,;-4.09,-.05,;-4.86,1.29,;-4.09,2.62,;-4.86,3.96,;-4.09,5.29,;-2.55,5.29,;-1.78,3.96,;-2.55,2.62,;-1.78,6.62,;-1.01,7.96,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(OCCCC(N)=O)cc12 |r,wU:6.9,wD:3.2,(-9.34,-2.31,;-9.34,-.77,;-10.67,,;-8,,;-6.67,-.77,;-5.33,,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-4,2.31,;-4,3.85,;-5.33,4.62,;-5.33,6.16,;-4,6.93,;-2.67,6.16,;-1.33,6.93,;,6.16,;,4.62,;1.33,3.85,;2.67,4.62,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;8,4.62,;-1.33,3.85,;-2.67,4.62,)|
Fc1cc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2cc1C#N |r,wU:12.15,wD:9.8,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;9.34,3.85,;8,4.62,;6.67,3.85,;10.67,4.62,;10.67,6.16,;12,6.93,;13.34,6.16,;13.34,4.62,;12,3.85,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,.77,)|
Cc1c(ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12)C#N |r,wU:11.10,wD:14.17,(-.38,3.33,;-1.93,3.33,;-2.69,4.67,;-4.23,4.67,;-5,3.33,;-4.23,2,;-5,.67,;-4.23,-.67,;-2.69,-.67,;-1.93,.67,;-.38,.67,;.38,-.67,;1.93,-.67,;2.69,-2,;1.93,-3.33,;.38,-3.33,;-.38,-2,;2.69,-4.67,;1.93,-6,;2.69,-7.34,;4.23,-7.34,;5,-6,;4.23,-4.67,;-2.69,2,;-1.93,6,;-1.15,7.34,)|
O=C(C1CC1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:14.19,wD:11.12,(-8,-9.24,;-6.67,-10.01,;-6.67,-11.55,;-5.9,-12.88,;-7.44,-12.88,;-5.33,-9.24,;-5.33,-7.7,;-4,-6.93,;-2.67,-7.7,;-2.67,-9.24,;-4,-10.01,;-1.33,-6.93,;,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;8,-3.08,;9.34,-3.85,)|
CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:12.16,wD:9.9,(3.47,-8.67,;4.23,-7.34,;5.78,-7.34,;3.47,-6,;1.93,-6,;1.15,-4.67,;1.93,-3.33,;3.47,-3.33,;4.23,-4.67,;1.15,-2,;1.93,-.67,;1.15,.67,;-.38,.67,;-1.15,-.67,;-.38,-2,;-1.15,2,;-2.69,2,;-3.47,.67,;-5,.67,;-5.78,2,;-5,3.33,;-5.78,4.67,;-5,6,;-3.47,6,;-2.69,4.67,;-3.47,3.33,;-2.69,7.34,;-1.93,8.67,)|
CC(C)(C)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:15.19,wD:12.12,(5.78,-6,;5,-7.34,;5.78,-8.67,;6.54,-7.34,;3.47,-7.34,;2.69,-8.67,;2.69,-6,;1.15,-6,;.38,-4.67,;1.15,-3.33,;2.69,-3.33,;3.47,-4.67,;.38,-2,;1.15,-.67,;.38,.67,;-1.15,.67,;-1.93,-.67,;-1.15,-2,;-1.93,2,;-3.47,2,;-4.23,.67,;-5.78,.67,;-6.54,2,;-5.78,3.33,;-6.54,4.67,;-5.78,6,;-4.23,6,;-3.47,4.67,;-4.23,3.33,;-3.47,7.34,;-2.69,8.67,)|
CC(C)(CF)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:16.20,wD:13.13,(5.39,-6,;4.62,-7.34,;6.16,-7.34,;5.39,-8.67,;6.93,-8.67,;3.08,-7.34,;2.31,-8.67,;2.31,-6,;.77,-6,;,-4.67,;.77,-3.33,;2.31,-3.33,;3.08,-4.67,;,-2,;.77,-.67,;,.67,;-1.54,.67,;-2.31,-.67,;-1.54,-2,;-2.31,2,;-3.85,2,;-4.62,.67,;-6.16,.67,;-6.93,2,;-6.16,3.33,;-6.93,4.67,;-6.16,6,;-4.62,6,;-3.85,4.67,;-4.62,3.33,;-3.85,7.34,;-3.08,8.67,)|
CC(C)(F)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:15.19,wD:12.12,(5.78,-6,;5,-7.34,;6.54,-7.34,;5.78,-8.67,;3.47,-7.34,;2.69,-8.67,;2.69,-6,;1.15,-6,;.38,-4.67,;1.15,-3.33,;2.69,-3.33,;3.47,-4.67,;.38,-2,;1.15,-.67,;.38,.67,;-1.15,.67,;-1.93,-.67,;-1.15,-2,;-1.93,2,;-3.47,2,;-4.23,.67,;-5.78,.67,;-6.54,2,;-5.78,3.33,;-6.54,4.67,;-5.78,6,;-4.23,6,;-3.47,4.67,;-4.23,3.33,;-3.47,7.34,;-2.69,8.67,)|
CC(F)(F)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:15.19,wD:12.12,(6.54,-7.34,;5,-7.34,;5.78,-6,;5.78,-8.67,;3.47,-7.34,;2.69,-8.67,;2.69,-6,;1.15,-6,;.38,-4.67,;1.15,-3.33,;2.69,-3.33,;3.47,-4.67,;.38,-2,;1.15,-.67,;.38,.67,;-1.15,.67,;-1.93,-.67,;-1.15,-2,;-1.93,2,;-3.47,2,;-4.23,.67,;-5.78,.67,;-6.54,2,;-5.78,3.33,;-6.54,4.67,;-5.78,6,;-4.23,6,;-3.47,4.67,;-4.23,3.33,;-3.47,7.34,;-2.69,8.67,)|
CC(F)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:14.18,wD:11.11,(6.16,-6,;5.39,-7.34,;6.16,-8.67,;3.85,-7.34,;3.08,-8.67,;3.08,-6,;1.54,-6,;.77,-4.67,;1.54,-3.33,;3.08,-3.33,;3.85,-4.67,;.77,-2,;1.54,-.67,;.77,.67,;-.77,.67,;-1.54,-.67,;-.77,-2,;-1.54,2,;-3.08,2,;-3.85,.67,;-5.39,.67,;-6.16,2,;-5.39,3.33,;-6.16,4.67,;-5.39,6,;-3.85,6,;-3.08,4.67,;-3.85,3.33,;-3.08,7.34,;-2.31,8.67,)|
CC1(CC1)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:15.20,wD:12.13,(5.88,-8.67,;5.11,-7.34,;5.11,-5.8,;6.44,-6.57,;3.57,-7.34,;2.8,-8.67,;2.8,-6,;1.26,-6,;.49,-4.67,;1.26,-3.33,;2.8,-3.33,;3.57,-4.67,;.49,-2,;1.26,-.67,;.49,.67,;-1.05,.67,;-1.82,-.67,;-1.05,-2,;-1.82,2,;-3.36,2,;-4.13,.67,;-5.67,.67,;-6.44,2,;-5.67,3.33,;-6.44,4.67,;-5.67,6,;-4.13,6,;-3.36,4.67,;-4.13,3.33,;-3.36,7.34,;-2.59,8.67,)|
CC1(COC1)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:16.21,wD:13.14,(5.8,-8.67,;5.03,-7.34,;4.63,-5.85,;6.12,-5.45,;6.52,-6.94,;3.49,-7.34,;2.72,-8.67,;2.72,-6,;1.18,-6,;.41,-4.67,;1.18,-3.33,;2.72,-3.33,;3.49,-4.67,;.41,-2,;1.18,-.67,;.41,.67,;-1.13,.67,;-1.9,-.67,;-1.13,-2,;-1.9,2,;-3.44,2,;-4.21,.67,;-5.75,.67,;-6.52,2,;-5.75,3.33,;-6.52,4.67,;-5.75,6,;-4.21,6,;-3.44,4.67,;-4.21,3.33,;-3.44,7.34,;-2.67,8.67,)|
COCC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:14.18,wD:11.11,(6.93,-8.67,;5.39,-8.67,;4.62,-7.34,;3.08,-7.34,;2.31,-8.67,;2.31,-6,;.77,-6,;,-4.67,;.77,-3.33,;2.31,-3.33,;3.08,-4.67,;,-2,;.77,-.67,;,.67,;-1.54,.67,;-2.31,-.67,;-1.54,-2,;-2.31,2,;-3.85,2,;-4.62,.67,;-6.16,.67,;-6.93,2,;-6.16,3.33,;-6.93,4.67,;-6.16,6,;-4.62,6,;-3.85,4.67,;-4.62,3.33,;-3.85,7.34,;-3.08,8.67,)|
O=C([C@@H]1CCCO1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:16.21,2.1,wD:13.14,(2.28,-8.67,;3.05,-7.34,;4.59,-7.34,;5.5,-8.58,;6.96,-8.11,;6.96,-6.57,;5.5,-6.09,;2.28,-6,;.74,-6,;-.03,-4.67,;.74,-3.33,;2.28,-3.33,;3.05,-4.67,;-.03,-2,;.74,-.67,;-.03,.67,;-1.57,.67,;-2.34,-.67,;-1.57,-2,;-2.34,2,;-3.88,2,;-4.65,.67,;-6.19,.67,;-6.96,2,;-6.19,3.33,;-6.96,4.67,;-6.19,6,;-4.65,6,;-3.88,4.67,;-4.65,3.33,;-3.88,7.34,;-3.11,8.67,)|
FC(F)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:14.18,wD:11.11,(6.16,-6,;5.39,-7.34,;6.16,-8.67,;3.85,-7.34,;3.08,-8.67,;3.08,-6,;1.54,-6,;.77,-4.67,;1.54,-3.33,;3.08,-3.33,;3.85,-4.67,;.77,-2,;1.54,-.67,;.77,.67,;-.77,.67,;-1.54,-.67,;-.77,-2,;-1.54,2,;-3.08,2,;-3.85,.67,;-5.39,.67,;-6.16,2,;-5.39,3.33,;-6.16,4.67,;-5.39,6,;-3.85,6,;-3.08,4.67,;-3.85,3.33,;-3.08,7.34,;-2.31,8.67,)|
FC1CC(C1)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:16.21,wD:13.14,(7.63,-7.34,;6.09,-7.34,;5,-6.25,;3.92,-7.34,;5,-8.42,;2.38,-7.34,;1.61,-8.67,;1.61,-6,;.07,-6,;-.7,-4.67,;.07,-3.33,;1.61,-3.33,;2.38,-4.67,;-.7,-2,;.07,-.67,;-.7,.67,;-2.24,.67,;-3.01,-.67,;-2.24,-2,;-3.01,2,;-4.55,2,;-5.32,.67,;-6.86,.67,;-7.63,2,;-6.86,3.33,;-7.63,4.67,;-6.86,6,;-5.32,6,;-4.55,4.67,;-5.32,3.33,;-4.55,7.34,;-3.78,8.67,)|
FC1(F)CC1C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:16.21,wD:13.14,(7.21,-7.72,;5.67,-7.72,;4.9,-9.05,;5.67,-6.18,;4.34,-6.95,;2.8,-6.95,;2.03,-8.28,;2.03,-5.62,;.49,-5.62,;-.28,-4.28,;.49,-2.95,;2.03,-2.95,;2.8,-4.28,;-.28,-1.62,;.49,-.28,;-.28,1.05,;-1.82,1.05,;-2.59,-.28,;-1.82,-1.62,;-2.59,2.39,;-4.13,2.39,;-4.9,1.05,;-6.44,1.05,;-7.21,2.39,;-6.44,3.72,;-7.21,5.05,;-6.44,6.39,;-4.9,6.39,;-4.13,5.05,;-4.9,3.72,;-4.13,7.72,;-3.36,9.05,)|
O=C(C1CCC1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:15.20,wD:12.13,(2.38,-8.67,;3.15,-7.34,;4.69,-7.34,;5.77,-8.42,;6.86,-7.34,;5.77,-6.25,;2.38,-6,;3.15,-4.67,;2.38,-3.33,;.84,-3.33,;.07,-4.67,;.84,-6,;.07,-2,;.84,-.67,;.07,.67,;-1.47,.67,;-2.24,-.67,;-1.47,-2,;-2.24,2,;-3.78,2,;-4.55,.67,;-6.09,.67,;-6.86,2,;-6.09,3.33,;-6.86,4.67,;-6.09,6,;-4.55,6,;-3.78,4.67,;-4.55,3.33,;-3.78,7.34,;-3.01,8.67,)|
O=C(C1CCCC1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:16.21,wD:13.14,(2.28,-8.67,;3.05,-7.34,;4.59,-7.34,;5.5,-8.58,;6.96,-8.11,;6.96,-6.57,;5.5,-6.09,;2.28,-6,;3.05,-4.67,;2.28,-3.33,;.74,-3.33,;-.03,-4.67,;.74,-6,;-.03,-2,;.74,-.67,;-.03,.67,;-1.57,.67,;-2.34,-.67,;-1.57,-2,;-2.34,2,;-3.88,2,;-4.65,.67,;-6.19,.67,;-6.96,2,;-6.19,3.33,;-6.96,4.67,;-6.19,6,;-4.65,6,;-3.88,4.67,;-4.65,3.33,;-3.88,7.34,;-3.11,8.67,)|
O=C(CC1CC1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:15.20,wD:12.13,(2.41,-7.9,;3.18,-6.57,;4.72,-6.57,;5.49,-7.9,;5.49,-9.44,;6.83,-8.67,;2.41,-5.23,;3.18,-3.9,;2.41,-2.56,;.87,-2.56,;.1,-3.9,;.87,-5.23,;.1,-1.23,;.87,.1,;.1,1.44,;-1.44,1.44,;-2.21,.1,;-1.44,-1.23,;-2.21,2.77,;-3.75,2.77,;-4.52,1.44,;-6.06,1.44,;-6.83,2.77,;-6.06,4.1,;-6.83,5.44,;-6.06,6.77,;-4.52,6.77,;-3.75,5.44,;-4.52,4.1,;-3.75,8.11,;-2.98,9.44,)|
O=C(CC1COC1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:16.21,wD:13.14,(2.34,-7.73,;3.11,-6.39,;4.65,-6.39,;5.42,-7.73,;6.9,-8.12,;6.51,-9.61,;5.02,-9.21,;2.34,-5.06,;3.11,-3.72,;2.34,-2.39,;.8,-2.39,;.03,-3.72,;.8,-5.06,;.03,-1.06,;.8,.28,;.03,1.61,;-1.51,1.61,;-2.28,.28,;-1.51,-1.06,;-2.28,2.94,;-3.82,2.94,;-4.59,1.61,;-6.13,1.61,;-6.9,2.94,;-6.13,4.28,;-6.9,5.61,;-6.13,6.94,;-4.59,6.94,;-3.82,5.61,;-4.59,4.28,;-3.82,8.28,;-3.05,9.61,)|
FCC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(6.16,-8.67,;5.39,-7.34,;3.85,-7.34,;3.08,-8.67,;3.08,-6,;3.85,-4.67,;3.08,-3.33,;1.54,-3.33,;.77,-4.67,;1.54,-6,;.77,-2,;1.54,-.67,;.77,.67,;-.77,.67,;-1.54,-.67,;-.77,-2,;-1.54,2,;-3.08,2,;-3.85,.67,;-5.39,.67,;-6.16,2,;-5.39,3.33,;-6.16,4.67,;-5.39,6,;-3.85,6,;-3.08,4.67,;-3.85,3.33,;-3.08,7.34,;-2.31,8.67,)|
OC(C1CC1)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:16.21,wD:13.14,(5.49,-5.23,;4.72,-6.57,;5.49,-7.9,;5.49,-9.44,;6.83,-8.67,;3.18,-6.57,;2.41,-7.9,;2.41,-5.23,;3.18,-3.9,;2.41,-2.56,;.87,-2.56,;.1,-3.9,;.87,-5.23,;.1,-1.23,;.87,.1,;.1,1.44,;-1.44,1.44,;-2.21,.1,;-1.44,-1.23,;-2.21,2.77,;-3.75,2.77,;-4.52,1.44,;-6.06,1.44,;-6.83,2.77,;-6.06,4.1,;-6.83,5.44,;-6.06,6.77,;-4.52,6.77,;-3.75,5.44,;-4.52,4.1,;-3.75,8.11,;-2.98,9.44,)|
OC1CC(C1)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:16.21,wD:13.14,(7.63,-7.34,;6.09,-7.34,;5,-8.42,;3.92,-7.34,;5,-6.25,;2.38,-7.34,;1.61,-8.67,;1.61,-6,;.07,-6,;-.7,-4.67,;.07,-3.33,;1.61,-3.33,;2.38,-4.67,;-.7,-2,;.07,-.67,;-.7,.67,;-2.24,.67,;-3.01,-.67,;-2.24,-2,;-3.01,2,;-4.55,2,;-5.32,.67,;-6.86,.67,;-7.63,2,;-6.86,3.33,;-7.63,4.67,;-6.86,6,;-5.32,6,;-4.55,4.67,;-5.32,3.33,;-4.55,7.34,;-3.78,8.67,)|
OCCC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:14.18,wD:11.11,(6.93,-8.67,;5.39,-8.67,;4.62,-7.34,;3.08,-7.34,;2.31,-8.67,;2.31,-6,;3.08,-4.67,;2.31,-3.33,;.77,-3.33,;,-4.67,;.77,-6,;,-2,;.77,-.67,;,.67,;-1.54,.67,;-2.31,-.67,;-1.54,-2,;-2.31,2,;-3.85,2,;-4.62,.67,;-6.16,.67,;-6.93,2,;-6.16,3.33,;-6.93,4.67,;-6.16,6,;-4.62,6,;-3.85,4.67,;-4.62,3.33,;-3.85,7.34,;-3.08,8.67,)|
O=C([C@H]1CCCO1)N1CCN(CC1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C#N |r|
CC1(CCC(CC1)N1CCOCC1)Nc1ncnc2ccc(cc12)C#N |(.81,-3.94,;1.33,-5.39,;2.32,-6.57,;1.8,-8.02,;.28,-8.28,;-.71,-7.1,;-.18,-5.66,;-.25,-9.73,;.74,-10.91,;.22,-12.36,;-1.3,-12.63,;-2.29,-11.45,;-1.76,-10,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;8,-3.08,;9.34,-3.85,)|
C[C@@]1(CC[C@@H](CC1)N1CCC(F)CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:4.7,1.0,wD:1.15,(1.15,1.33,;.38,,;-.38,-1.33,;.38,-2.67,;1.93,-2.67,;2.69,-1.33,;1.93,,;2.69,-4,;1.93,-5.33,;2.69,-6.67,;4.23,-6.67,;5,-8,;5,-5.33,;4.23,-4,;-.38,1.33,;-1.93,1.33,;-2.69,,;-4.23,,;-5,1.33,;-4.23,2.67,;-5,4,;-4.23,5.33,;-2.69,5.33,;-1.93,4,;-2.69,2.67,;-1.93,6.67,;-1.15,8,)|
C[C@@]1(CC[C@@H](CC1)N1CCC(O)C1)Nc1ncnc2ccc(cc12)C#N |r,wU:4.7,1.0,wD:1.14,(.64,.52,;-.13,-.82,;-.9,-2.15,;-.13,-3.48,;1.41,-3.48,;2.18,-2.15,;1.41,-.82,;2.18,-4.82,;1.7,-6.28,;2.95,-7.19,;4.19,-6.28,;5.52,-7.05,;3.72,-4.82,;-.9,.52,;-2.44,.52,;-3.21,-.82,;-4.75,-.82,;-5.52,.52,;-4.75,1.85,;-5.52,3.19,;-4.75,4.52,;-3.21,4.52,;-2.44,3.19,;-3.21,1.85,;-2.44,5.85,;-1.67,7.19,)|
FC1CCN(CC1)[C@H]1CC[C@H](Nc2ncnc3ccc(cc23)C#N)[C@H]2C[C@@H]12 |r|
C[C@H]1C[C@H](CC[C@@H]1Nc1ncnc2ccc(cc12)C#N)N1CCOCC1
CC1CC(CCC1Nc1ncnc2ccc(cc12)C#N)N1CCC(F)CC1
CC1CC(CCC1Nc1ncnc2ccc(cc12)C#N)N1CCOCC1
CC(C)Nc1cc(ncc1-c1cn(CCO)nn1)-n1ccc2cncnc12
CCOC(=O)Cn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ccc2cncnc12
CC(C)Nc1cc(ncc1-c1cn(CCN2CCOCC2)nn1)-n1ccc2cncnc12
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCNC[C@H]1O)-n1ccc2cncnc12 |r|
CC(C)Nc1cc(ncc1-c1cn(CCCCCN)nn1)-n1ccc2cncnc12
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CCNC[C@H]1O)-n1ccc2cncnc12 |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCNC[C@@H]1O)-n1ccc2cncnc12 |r|
CC(C)Nc1cc(ncc1-c1cn(Cc2cc(=O)[nH]c(=O)[nH]2)nn1)-n1ccc2cncnc12
CC(C)Nc1cc(ncc1-c1cn(CCOCCOCCOCCO)nn1)-n1ccc2cncnc12
CC(C)CCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCO)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCN2CCOCC2)nn1)-n1ncc2cc(cnc12)C#N
N#Cc1cnc2n(ncc2c1)-c1cc(NC2CC2)c(cn1)-c1cn(CCN2CCOCC2)nn1
OCCn1cc(nn1)-c1cnc(cc1NC1CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1COC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC2CC2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCCCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C(C)(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)-c1ccccc1F)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCN(C)C1=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C(C)(C)C)-n1cnc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCOCC1)-n1cnc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCCCC1)-n1ncc2cc(C#N)c(N)nc12
CC(C)Nc1cc(ncc1-c1cn(CCCO)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCO)nn1)-n1ncc2cc(C#N)c(N)nc12
CCCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC2CC2(F)F)nn1)-n1ncc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(C#N)c(N)nc12
CCCn1cc(nn1)-c1cnc(cc1NC1CC1)-n1ncc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1NC1CC1)-n1ncc2cc(C#N)c(N)nc12
CCCn1cc(nn1)-c1cnc(cc1NC1CC1)-n1ncc2cc(Cl)cnc12
CCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1cnc2cc(cnc12)C#N
CCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(Cl)cnc12
CCCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1cnc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCC(F)(F)F)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCC(F)(F)F)nn1)-n1cnc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1NC1CC1)-n1cnc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCF)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCF)nn1)-n1cnc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCF)nn1)-n1ncc2cc(C#N)c(N)nc12
CC(C)Nc1cc(ncc1-c1cn(CC#N)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCCF)nn1)-n1ncc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1NC1CCOCC1)-n1ncc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1NC1CCOCC1)-n1cnc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1NC1CCOCC1)-n1ncc2cc(C#N)c(N)nc12
CCCn1cc(nn1)-c1cnc(cc1N[C@@H](C)CO)-n1ncc2cc(cnc12)C#N |r|
CCCn1cc(nn1)-c1cnc(cc1N[C@@H](C)CO)-n1cnc2cc(cnc12)C#N |r|
CCCn1cc(nn1)-c1cnc(cc1NCC)-n1ncc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1NCC)-n1cnc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCc2ccccc2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCc2ccccc2)nn1)-n1cnc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1Nc1cnn(CC)c1)-n1ncc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1Nc1cnn(CC)c1)-n1cnc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1cnc2cc(cnc12)C#N
CCCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1cnc2cnc(N)nc12
CC(C)Nc1cc(ncc1-c1cn(CC(C)(C)O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCCC[C@@]1(C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(C[C@H](C)O)nn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(C[C@@H](C)O)nn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(CC(C)(C)O)nn1)-n1cnc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(C[C@@H](C)O)nn1)-n1cnc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(C[C@H](C)O)nn1)-n1cnc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(C[C@H](C)O)nn1)-n1ncc2cc(C#N)c(N)nc12 |r|
CCNc1cc(ncc1-c1cn(C[C@H](C)O)nn1)-n1ncc2cc(cnc12)C#N |r|
CCNc1cc(ncc1-c1cn(C[C@H](C)O)nn1)-n1cnc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1COC[C@H]1O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1COC[C@H]1O)-n1cnc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(CC(O)Cc2ccccc2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC(O)Cc2ccccc2)nn1)-n1cnc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCC[C@H]1O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCC[C@H]1O)-n1cnc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(C[C@@H](O)c2ccccc2)nn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(C[C@H](O)c2ccccc2)nn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H](CO)c1ccccc1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H](CO)c1ccccc1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H](C)[C@H](C)O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H](C)[C@H](C)O)-n1ncc2cc(cnc12)C#N |r|
CCC(C)(O)Cn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CCC(C)(O)Cn1cc(nn1)-c1cnc(cc1NC(C)C)-n1cnc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCCC[C@H]1O)-n1cnc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(CC(C)(C)O)nn1)-n1ncc2cc(C#N)c(N)nc12
CC(C)Nc1cc(ncc1-c1cn(C[C@H]2CCCN2C(=O)OC(C)(C)C)nn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(c1ccccc1)c1ccccc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC(=O)N2CCOCC2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCc2c(C)n[nH]c2C)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)-c1cccc(O)c1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)-c1ccc(F)c(c1)C#N)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(Cc2ccc3sc(C)nc3c2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(Cc2ccccc2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(Cc2nc3ccccc3[nH]2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)-c1ccc(F)cc1)-n1ncc2cc(cnc12)C#N
COc1ccc(Cn2cc(nn2)-c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)cc1
CC(C)Nc1cc(ncc1-c1cn(nn1)-c1cccnc1C#N)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(Cc2ccc(F)cc2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(=O)OC(C)(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCCCN)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)-c1ccccc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCS(C)(=O)=O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC2CCC2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCc2ccccn2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCc2cccnc2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCc2ccncc2)nn1)-n1ncc2cc(cnc12)C#N
COCCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CCOCCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC2CCO2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCCO)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCCCO)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCN(C)C)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCN2CCCC2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCC(C)(C)O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC(O)C(F)(F)F)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCc2ccccc2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC(O)CO)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC2(O)CCN(CC2)C(=O)OC(C)(C)C)nn1)-n1ncc2cc(cnc12)C#N
COCC(O)Cn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC[C@H](O)Cn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(CC(O)C(C)C)nn1)-n1ncc2cc(cnc12)C#N
COc1ccc(OCC(O)Cn2cc(nn2)-c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)cc1
CCOCC(O)Cn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CNC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(=O)CC1CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C#N)-n1ncc2cc(cnc12)C#N
COC(=O)N1CC(C1)n1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(=O)c1ccccc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(=O)C(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(=O)C1CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(=O)C(C)(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)c1ncccn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)c1nnc(C)o1)-n1ncc2cc(cnc12)C#N
CCN1CC(C1)n1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C)C1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C)C1)-n1cnc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(CC(F)F)C1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(C)=O)-n1ncc2cc(Cl)cnc12
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCN(CC1)C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(C)=O)-n1ccc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCN2CCOCC2)nn1)-n1ccc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(C)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(C)nn1)-n1ncc2cc(Cl)cnc12
CC(C)Nc1cc(ncc1-c1cn(CC(C)F)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(C[C@@H](N)Cc2ccccc2)nn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(C[C@H](N)Cc2ccccc2)nn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(CC(C)=O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCN)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCN)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)-c1ccccc1C#N)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)-c1cccnc1)-n1ncc2cc(cnc12)C#N
COC(=O)c1ccccc1-n1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CCN(C[C@H]1O)C(=O)OC(C)(C)C)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CCNC[C@H]1O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CCN(C[C@H]1O)C(C)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CCN(C[C@H]1O)C(=O)C(C)(C)C)-n1ncc2cc(cnc12)C#N |r|
CCOC(=O)N1CC[C@@H]([C@H](O)C1)n1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CCN(C[C@H]1O)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CCN(C[C@H]1OS(C)(=O)=O)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CCN(C[C@H]1O)C(=O)c1ccccn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CCN(C[C@H]1O)C(=O)c1cccnc1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CCN(C[C@H]1O)C(=O)c1ccncc1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCNC[C@@H]1O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCNC[C@@H]1O)-n1ncc2cc(cnc12)C(N)=O |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCN(C[C@@H]1O)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
CCOC(=O)N1CC[C@H]([C@@H](O)C1)n1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCN(C[C@@H]1O)C(=O)C(C)(C)C)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCN(C[C@@H]1O)C(C)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(CC(=O)N2CCNCC2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC(=O)N2CCN(CC2)S(C)(=O)=O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC(=O)N2CCN(CC2)C(C)=O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCNCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCN(CC1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCN(C[C@H]1O)C(C)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCN(C[C@H]1O)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCN(C[C@H]1O)C(=O)C(C)(C)C)-n1ncc2cc(cnc12)C#N |r|
COC(=O)N1CC[C@H]([C@H](O)C1)n1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCN(C[C@H]1OS(C)(=O)=O)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
O[C@@H]1CCNC[C@H]1n1cc(nn1)-c1cnc(cc1NC1CC1)-n1ncc2cc(cnc12)C#N |r|
COC(=O)N1CC[C@@H](n2cc(nn2)-c2cnc(cc2NC2CC2)-n2ncc3cc(cnc23)C#N)[C@](C)(O)C1 |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCNC[C@@H]1F)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCN(C[C@@H]1F)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCN(C[C@H]1F)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C)-n1ncc2cc(cnc12)C#N |r,wU:15.16,wD:18.23,(4.86,2.46,;3.53,3.23,;3.53,4.77,;2.2,2.46,;2.2,.92,;3.53,.15,;3.53,-1.39,;2.2,-2.16,;.86,-1.39,;.86,.15,;-.47,.92,;-1.93,.44,;-2.84,1.69,;-1.93,2.93,;-.47,2.46,;-4.33,1.29,;-4.73,-.2,;-6.21,-.6,;-7.3,.49,;-6.9,1.98,;-5.42,2.38,;-8.79,.09,;-9.19,-1.39,;-8.1,-2.48,;-10.68,-1.79,;-11.07,-3.28,;-12.56,-2.88,;-9.59,-3.68,;-10.68,-4.77,;4.86,-2.16,;4.86,-3.7,;6.33,-4.18,;7.23,-2.93,;8.77,-2.77,;9.39,-1.36,;8.49,-.12,;6.96,-.28,;6.33,-1.69,;10.92,-1.2,;12.46,-1.04,)|
CC(C)Nc1cc(ncc1-c1cn(nn1)C(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCOC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCCC[C@H]1O)-n1ncc2cc(cnc12)C#N |r|
CC(C)CCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(Cl)cnc12
CCCn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(Cl)cnc12
CCCn1cnc(c1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1c[nH]cn1)-n1ncc2cc(cnc12)C#N
CC(C)Cn1cnc(c1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(C[C@H](C)O)cn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(cn1)C1CN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(cn1)-c1cccnc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(cn1)C(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC(F)F)cn1)-n1ncc2cc(cnc12)C#N
CCn1cnc(c1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(C[C@H](C)CO)cn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cn(CC2CC2)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(Cc2ccccc2)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC(=O)N2CCOCC2)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC2(O)COC2)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC2CCC2)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC2CN(C2)C(C)=O)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(Cc2cccnc2)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC2COC2)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CC(N)=O)cn1)-n1ncc2cc(cnc12)C#N
CNC(=O)Cn1cnc(c1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(Cc2ccccn2)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCC(C)(C)O)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(CCCc2ccccc2)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCO)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(Cc2ccccc2)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(cn1)C(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(cn1)-c1ccccn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1ccc(C)n1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1ccc(n1)C(F)(F)F)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1ccc(n1)C#N)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1ccc(n1)-c1cccnc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1ccc(CC#N)n1)-n1ncc2cc(cnc12)C#N
CCCCc1cnn(c1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cnn(CCO)c1)-n1ncc2cc(cnc12)C#N
CCn1cc(cn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cnn(CC2COC2)c1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cnn(CC(F)(F)F)c1)-n1ncc2cc(cnc12)C#N
CCCn1cc(cn1)-c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cnn(c1)C1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Cn1cc(cn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cnn(c1)C1CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cnn(c1)C(F)F)-n1ncc2cc(cnc12)C#N
CCCn1cc(cn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cnn(CC(F)(F)F)c1)-n1ncc2cncnc12
CCCc1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(O)Cc1cn(nn1)-c1cnc(cc1NCC(C)(C)O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CC(C)O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCCC1)-n1ncc2cc(cnc12)C#N
COCc1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CCCc1cn(nn1)-c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
CCCc1cn(nn1)-c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cncnc12
CCCc1cn(nn1)-c1cnc(cc1N[C@H](C)CO)-n1ncc2cc(cnc12)C#N |r|
CCCc1cn(nn1)-c1cnc(cc1N[C@@H](C)CO)-n1ncc2cc(cnc12)C#N |r|
CC(O)Cc1cn(nn1)-c1cnc(cc1NC1CC1)-n1ncc2cc(cnc12)C#N
CCCc1cn(nn1)-c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N
CCCc1cn(nn1)-c1cnc(cc1NC1COC1)-n1cnc2cc(cnc12)C#N
CCCc1cn(nn1)-c1cnc(cc1NC(C)C)-n1cnc2cc(cnc12)C#N
CCCc1cn(nn1)-c1cnc(cc1NC(C)C)-n1cnc2cnc(N)nc12
CCCc1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(C#N)c(N)nc12
CCCc1cn(nn1)-c1cnc(cc1NC1COC1)-n1ncc2cc(C#N)c(N)nc12
CCCc1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(Cl)cnc12
CCCc1cn(nn1)-c1cnc(cc1NC1CCOCC1)-n1ncc2cc(cnc12)C#N
CCCc1cn(nn1)-c1cnc(cc1N[C@@H](C)CO)-n1cnc2cc(cnc12)C#N |r|
CCCc1cn(nn1)-c1cnc(cc1N[C@H](C)CO)-n1cnc2cc(cnc12)C#N |r|
CCCc1cn(nn1)-c1cnc(cc1NCC(C)(C)O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCCO)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CC(C)F)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CC(C)F)nn1)-n1cnc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CC(C)F)nn1)-n1cnc2cnc(N)nc12
CC(C)Nc1cc(ncc1-n1cc(CO)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)-c1ccccc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C(C)(C)O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)-c1cccnc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CN2CCOCC2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCO)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CC(O)CO)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)-c1ccccn1)-n1ncc2cc(cnc12)C#N
CC(C)Cc1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CC(C)(C)O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)CCc1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CN(C)C)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C(N)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CN)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCCCO)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C(C)(C)N)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CNC(N)=O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CNN)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(C[C@@H](O)c2ccccc2)nn1)-n1ncc2cc(cnc12)C#N |r|
COc1cc(OC)cc(c1)-c1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)-c1cncn1C)-n1ncc2cc(cnc12)C#N
CCC(C)(O)Cc1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCc2ccccc2)nn1)-n1ncc2cc(cnc12)C#N
CCCCc1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCC#N)nn1)-n1ncc2cc(cnc12)C#N
CCC(C)(O)c1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCCC#N)nn1)-n1ncc2cc(cnc12)C#N
CCN(CC)Cc1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CCc1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)-c1ccncc1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCN)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CF)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CC=C)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CC(C)=O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CS(=O)(=O)c2ccccc2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCN(CC1)C(=O)OC(C)(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCNCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCN(CC1)C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCN(CC(F)F)CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCN(CC1)C(C)C)-n1ncc2cc(cnc12)C#N
COC(=O)N1CCC(CC1)c1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCC(N)CC1)-n1ncc2cc(cnc12)C#N |(1.9,4.39,;1.9,2.85,;3.23,2.08,;.57,2.08,;.57,.54,;1.9,-.23,;1.9,-1.77,;.57,-2.54,;-.77,-1.77,;-.77,-.23,;-2.1,.54,;-3.51,-.09,;-4.54,1.06,;-3.77,2.39,;-2.26,2.07,;-6.07,.9,;-6.98,2.14,;-8.51,1.98,;-9.13,.58,;-10.67,.41,;-8.23,-.67,;-6.7,-.51,;3.23,-2.54,;3.39,-4.07,;4.9,-4.39,;5.67,-3.06,;7.18,-2.74,;7.65,-1.27,;6.62,-.13,;5.12,-.45,;4.64,-1.91,;9.16,-.95,;10.67,-.63,)|
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCC(CC1)NC(C)=O)-n1ncc2cc(cnc12)C#N |(2.97,4.39,;2.97,2.85,;4.31,2.08,;1.64,2.08,;1.64,.54,;2.97,-.23,;2.97,-1.77,;1.64,-2.54,;.3,-1.77,;.3,-.23,;-1.03,.54,;-2.44,-.09,;-3.47,1.06,;-2.7,2.39,;-1.19,2.07,;-5,.9,;-5.9,2.14,;-7.43,1.98,;-8.06,.58,;-7.16,-.67,;-5.62,-.51,;-9.59,.41,;-10.21,-1,;-11.74,-1.17,;-9.29,-2.24,;4.31,-2.54,;4.47,-4.07,;5.97,-4.39,;6.74,-3.06,;8.25,-2.74,;8.72,-1.27,;7.69,-.13,;6.19,-.45,;5.71,-1.91,;10.23,-.95,;11.74,-.63,)|
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCC(CC1)NC(=O)OC(C)(C)C)-n1ncc2cc(cnc12)C#N |(3.91,4.39,;3.91,2.85,;5.25,2.08,;2.58,2.08,;2.58,.54,;3.91,-.23,;3.91,-1.77,;2.58,-2.54,;1.25,-1.77,;1.25,-.23,;-.09,.54,;-1.49,-.09,;-2.52,1.06,;-1.75,2.39,;-.25,2.07,;-4.06,.9,;-4.96,2.14,;-6.49,1.98,;-7.12,.58,;-6.21,-.67,;-4.68,-.51,;-8.65,.41,;-9.26,-1,;-8.35,-2.24,;-10.79,-1.17,;-11.19,-2.66,;-12.68,-3.06,;-10.1,-3.75,;-11.59,-4.15,;5.25,-2.54,;5.41,-4.07,;6.92,-4.39,;7.69,-3.06,;9.19,-2.74,;9.67,-1.27,;8.64,-.13,;7.13,-.45,;6.66,-1.91,;11.17,-.95,;12.68,-.63,)|
CC(C)NC1CCC(CC1)c1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |(-11.74,-1.17,;-10.21,-1,;-9.29,-2.24,;-9.59,.41,;-8.06,.58,;-7.43,1.98,;-5.9,2.14,;-5,.9,;-5.62,-.51,;-7.16,-.67,;-3.47,1.06,;-2.44,-.09,;-1.03,.54,;-1.19,2.07,;-2.7,2.39,;.3,-.23,;.3,-1.77,;1.64,-2.54,;2.97,-1.77,;2.97,-.23,;1.64,.54,;1.64,2.08,;2.97,2.85,;2.97,4.39,;4.31,2.08,;4.31,-2.54,;4.47,-4.07,;5.97,-4.39,;6.74,-3.06,;8.25,-2.74,;8.72,-1.27,;7.69,-.13,;6.19,-.45,;5.71,-1.91,;10.23,-.95,;11.74,-.63,)|
COC(=O)NC1CCC(CC1)c1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |(-12.22,.03,;-11.26,-1.17,;-9.73,-1,;-8.81,-2.24,;-9.11,.41,;-7.58,.58,;-6.96,1.98,;-5.42,2.14,;-4.52,.9,;-5.14,-.51,;-6.68,-.67,;-2.99,1.06,;-1.96,-.09,;-.55,.54,;-.71,2.07,;-2.22,2.39,;.78,-.23,;.78,-1.77,;2.12,-2.54,;3.45,-1.77,;3.45,-.23,;2.12,.54,;2.12,2.08,;3.45,2.85,;3.45,4.39,;4.79,2.08,;4.79,-2.54,;4.95,-4.07,;6.45,-4.39,;7.22,-3.06,;8.73,-2.74,;9.2,-1.27,;8.17,-.13,;6.67,-.45,;6.19,-1.91,;10.71,-.95,;12.22,-.63,)|
CC(C)Nc1cc(ncc1-n1cc(CC(F)C(C)(C)O)nn1)-n1ncc2cc(cnc12)C#N
CCS(=O)(=O)N1CCC(CC1)c1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1CCC(F)(F)C1)-n1ncc2cc(cnc12)C#N
N#Cc1cnc2n(ncc2c1)-c1cc(NC2CC2)c(cn1)-n1cc(nn1)C1CCOCC1
CC(C)Nc1cc(ncc1-n1cc(CCN2CCOCC2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)O)nn1)-n1ncc2cnc(N)nc12
CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)F)nn1)-n1ncc2cnc(N)nc12
COC(=O)NCCc1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(F)Cc1cn(nn1)-c1cnc(cc1NC1CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCOCC1)-n1ncc2cc(cnc12)C#N
CCN[C@H]1CCC(CC1)c1cn(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r,wD:3.2,(-11.88,1.5,;-10.35,1.66,;-9.45,.41,;-7.92,.58,;-7.01,-.67,;-5.48,-.51,;-4.85,.9,;-5.76,2.14,;-7.29,1.98,;-3.32,1.06,;-2.29,-.09,;-.88,.54,;-1.04,2.07,;-2.55,2.39,;.45,-.23,;.45,-1.77,;1.78,-2.54,;3.12,-1.77,;3.12,-.23,;1.78,.54,;1.78,2.08,;3.12,2.85,;3.12,4.39,;4.45,2.08,;4.45,-2.54,;4.61,-4.07,;6.12,-4.39,;6.89,-3.06,;8.4,-2.74,;8.87,-1.27,;7.84,-.13,;6.33,-.45,;5.86,-1.91,;10.38,-.95,;11.88,-.63,)|
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CC[C@@H](CC1)NCC(F)F)-n1ncc2cc(cnc12)C#N |r,wD:18.23,(2.49,4.39,;2.49,2.85,;3.82,2.08,;1.16,2.08,;1.16,.54,;2.49,-.23,;2.49,-1.77,;1.16,-2.54,;-.18,-1.77,;-.18,-.23,;-1.51,.54,;-2.92,-.09,;-3.95,1.05,;-3.18,2.39,;-1.67,2.07,;-5.48,.89,;-6.1,-.51,;-7.64,-.68,;-8.54,.57,;-7.92,1.98,;-6.38,2.14,;-10.07,.41,;-10.98,1.66,;-10.35,3.06,;-8.82,3.22,;-9.58,4.4,;3.82,-2.54,;3.99,-4.08,;5.49,-4.4,;6.26,-3.06,;7.77,-2.74,;8.24,-1.28,;7.21,-.13,;5.71,-.45,;5.23,-1.92,;9.75,-.96,;11.26,-.64,)|
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCN(CC1)C(=O)CC(C)(C)O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCN(CC1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NCCC(F)(F)F)-n1ncc2cc(cnc12)C#N
CC(C)(F)CCc1cn(nn1)-c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(cnc12)C#N
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1CCOC1)-n1ncc2cc(cnc12)C#N
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1CC(F)(F)C1)-n1ncc2cc(cnc12)C#N
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1N[C@H]1CC[C@H](F)C1)-n1ncc2cc(cnc12)C#N |r|
CCNc1cc(ncc1-n1cc(CCC(C)(C)O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NCCCF)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)O)nn1)-n1ncc2cc(C#N)c(N)nc12
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1N[C@H]1CC[C@@H](F)C1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(F)CCc1cn(nn1)-c1cnc(cc1N[C@@H]1CCOC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1CC[C@H](F)CC1)-n1ncc2cc(cnc12)C#N |r,wU:21.23,(-9.98,2.05,;-8.89,.97,;-9.29,-.52,;-10.38,.57,;-7.4,1.36,;-6.31,.28,;-4.83,.67,;-3.8,-.47,;-2.39,.16,;-2.55,1.69,;-4.06,2.01,;-1.06,-.61,;-1.06,-2.15,;.28,-2.92,;1.61,-2.15,;1.61,-.61,;.28,.16,;.28,1.7,;1.61,2.47,;2.95,1.7,;4.28,2.47,;4.28,4.01,;5.61,4.78,;2.95,4.78,;1.61,4.01,;2.95,-2.92,;3.11,-4.46,;4.61,-4.78,;5.38,-3.44,;6.89,-3.12,;7.37,-1.66,;6.33,-.51,;4.83,-.83,;4.35,-2.3,;8.87,-1.34,;10.38,-1.02,)|
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1N[C@@H]1CCC[C@@H]1F)-n1ncc2cc(cnc12)C#N |r|
C[C@@H](CO)Nc1cc(ncc1-n1cc(CCC(C)(C)O)nn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC(CF)CF)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)OC(=O)CN)nn1)-n1ncc2cc(cnc12)C#N
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1COCC1F)-n1ncc2cc(cnc12)C#N
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC(C)(C)CO)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)OC(=O)C2CC2)nn1)-n1ncc2cc(cnc12)C#N
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1(C)CC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)OC(=O)CN(C)C)nn1)-n1ncc2cc(cnc12)C#N
CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1CC[C@H](O)CC1)-n1ncc2cc(cnc12)C#N |r,wD:21.23,(-9.98,2.05,;-8.89,.97,;-9.29,-.52,;-10.38,.57,;-7.4,1.36,;-6.31,.28,;-4.83,.67,;-3.8,-.47,;-2.39,.16,;-2.55,1.69,;-4.06,2.01,;-1.06,-.61,;-1.06,-2.15,;.28,-2.92,;1.61,-2.15,;1.61,-.61,;.28,.16,;.28,1.7,;1.61,2.47,;1.61,4.01,;2.95,4.78,;4.28,4.01,;5.61,4.78,;4.28,2.47,;2.95,1.7,;2.95,-2.92,;3.11,-4.46,;4.61,-4.78,;5.38,-3.44,;6.89,-3.12,;7.37,-1.66,;6.33,-.51,;4.83,-.83,;4.35,-2.3,;8.87,-1.34,;10.38,-1.02,)|
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCN(CC1)C(=O)C(F)(F)F)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CC[C@](C)(O)CO)nn1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-n1cc(CC[C@@](C)(O)CO)nn1)-n1ncc2cc(cnc12)C#N |r|
CCCNc1cc(ncc1-n1cc(CCC(C)(C)O)nn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)O)cn1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CC[C@H](N)CC1)-n1ncc2cc(cnc12)C#N |r,wU:15.16,wD:18.20,(1.76,4.47,;1.76,2.93,;3.09,2.16,;.43,2.16,;.43,.62,;1.76,-.15,;1.76,-1.69,;.43,-2.46,;-.91,-1.69,;-.91,-.15,;-2.24,.62,;-3.49,-.28,;-4.73,.62,;-4.26,2.09,;-2.72,2.09,;-6.22,.22,;-6.62,-1.26,;-8.11,-1.66,;-9.2,-.57,;-10.68,-.97,;-8.8,.91,;-7.31,1.31,;3.09,-2.46,;3.09,-4,;4.56,-4.47,;5.46,-3.23,;6.99,-3.07,;7.62,-1.66,;6.72,-.41,;5.18,-.57,;4.56,-1.98,;9.15,-1.5,;10.68,-1.34,)|
COC(=O)N[C@H]1CC[C@@H](CC1)n1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r,wU:8.11,wD:5.4,(-12.52,.81,;-11.43,-.28,;-9.94,.12,;-9.54,1.61,;-8.85,-.97,;-7.36,-.57,;-6.27,-1.66,;-4.79,-1.26,;-4.39,.22,;-5.48,1.31,;-6.96,.91,;-2.9,.62,;-1.65,-.28,;-.41,.62,;-.88,2.09,;-2.42,2.09,;.92,-.15,;.92,-1.69,;2.26,-2.46,;3.59,-1.69,;3.59,-.15,;2.26,.62,;2.26,2.16,;3.59,2.93,;3.59,4.47,;4.93,2.16,;4.93,-2.46,;4.93,-4,;6.39,-4.47,;7.3,-3.23,;8.83,-3.07,;9.45,-1.66,;8.55,-.41,;7.02,-.57,;6.39,-1.98,;10.98,-1.5,;12.52,-1.34,)|
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CC[C@@H](CC1)NCC(F)F)-n1ncc2cc(cnc12)C#N |r,wU:15.16,wD:18.23,(3.59,4.47,;3.59,2.93,;4.93,2.16,;2.26,2.16,;2.26,.62,;3.59,-.15,;3.59,-1.69,;2.26,-2.46,;.92,-1.69,;.92,-.15,;-.41,.62,;-1.65,-.28,;-2.9,.62,;-2.42,2.09,;-.88,2.09,;-4.39,.22,;-4.79,-1.26,;-6.27,-1.66,;-7.36,-.57,;-6.96,.91,;-5.48,1.31,;-8.85,-.97,;-9.94,.12,;-11.43,-.28,;-12.52,.81,;-11.83,-1.77,;4.93,-2.46,;4.93,-4,;6.39,-4.47,;7.3,-3.23,;8.83,-3.07,;9.45,-1.66,;8.55,-.41,;7.02,-.57,;6.39,-1.98,;10.98,-1.5,;12.52,-1.34,)|
CCOC(=O)N[C@H]1CC[C@@H](CC1)n1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r,wU:9.12,wD:6.5,(-11.08,-2.86,;-12.17,-1.77,;-11.77,-.28,;-10.29,.12,;-9.89,1.61,;-9.2,-.97,;-7.71,-.57,;-6.62,-1.66,;-5.13,-1.26,;-4.73,.22,;-5.82,1.31,;-7.31,.91,;-3.25,.62,;-2,-.28,;-.75,.62,;-1.23,2.09,;-2.77,2.09,;.58,-.15,;.58,-1.69,;1.91,-2.46,;3.25,-1.69,;3.25,-.15,;1.91,.62,;1.91,2.16,;3.25,2.93,;3.25,4.47,;4.58,2.16,;4.58,-2.46,;4.58,-4,;6.05,-4.47,;6.95,-3.23,;8.48,-3.07,;9.11,-1.66,;8.2,-.41,;6.67,-.57,;6.05,-1.98,;10.64,-1.5,;12.17,-1.34,)|
CC(C)Nc1cc(ncc1-c1cc(no1)C1CNC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1CN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C(CO)CO)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1COCCN1)-n1ncc2cc(cnc12)C#N
COC(=O)N1CC(C1)c1cc(on1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1CCN(CC1)C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1CCNCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)[C@H]1CCNC1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cc(no1)[C@H]1CCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cc(no1)C1CCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1CCCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
COC(=O)N1CCCC(C1)c1cc(on1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1CC[C@@H](CC1)NC(C)=O)-n1ncc2cc(cnc12)C#N |r,wD:18.23,(2.7,4.47,;2.7,2.93,;4.04,2.16,;1.37,2.16,;1.37,.62,;2.7,-.15,;2.7,-1.69,;1.37,-2.46,;.03,-1.69,;.03,-.15,;-1.3,.62,;-2.54,-.28,;-3.79,.62,;-3.31,2.09,;-1.77,2.09,;-5.28,.22,;-5.68,-1.26,;-7.16,-1.66,;-8.25,-.57,;-7.85,.91,;-6.37,1.31,;-9.74,-.97,;-10.14,-2.46,;-11.63,-2.86,;-9.05,-3.55,;4.04,-2.46,;4.04,-4,;5.5,-4.47,;6.41,-3.23,;7.94,-3.07,;8.56,-1.66,;7.66,-.41,;6.13,-.57,;5.5,-1.98,;10.1,-1.5,;11.63,-1.34,)|
COC(=O)N[C@H]1CCC(CC1)c1cc(on1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r,wD:5.4,(-11.83,-4.35,;-11.43,-2.86,;-9.94,-2.46,;-8.85,-3.55,;-9.54,-.97,;-8.05,-.57,;-6.96,-1.66,;-5.48,-1.26,;-5.08,.22,;-6.17,1.31,;-7.66,.91,;-3.59,.62,;-2.35,-.28,;-1.1,.62,;-1.58,2.09,;-3.12,2.09,;.23,-.15,;.23,-1.69,;1.57,-2.46,;2.9,-1.69,;2.9,-.15,;1.57,.62,;1.57,2.16,;2.9,2.93,;2.9,4.47,;4.24,2.16,;4.24,-2.46,;4.24,-4,;5.7,-4.47,;6.61,-3.23,;8.14,-3.07,;8.76,-1.66,;7.86,-.41,;6.33,-.57,;5.7,-1.98,;10.29,-1.5,;11.83,-1.34,)|
CC(C)Nc1cc(ncc1-c1cc(no1)C1CCCCN1)-n1ncc2cc(cnc12)C#N
CNCCCc1cc(on1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(CCCN(C)C(C)=O)no1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1CCCOC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1CCCN1C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1CC2CCC(C1)N2C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1COC(C)(C)O1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1(F)CCN(CC1)C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1CC(F)(F)CCN1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1COC(C)(C)CN1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)[C@@H]1C[C@H](O)CCN1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cc(no1)[C@H]1C[C@@H](O)CCN1)-n1ncc2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1-c1cc(CCC(C)(C)O)no1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(no1)C1CCN1C(C)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(on1)C1COCCN1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(CCC(C)(C)O)on1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(on1)C1CCCCN1)-n1ncc2cc(cnc12)C#N
CCN1CCOCC1c1cc(no1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1cc(on1)C1CCCCN1S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1nnc(o1)C(=O)N1CCOCC1)-n1ncc2cc(cnc12)C#N
CC(C)Nc1cc(ncc1-c1nnc(N[C@H]2CC[C@H](N)CC2)o1)-n1ncc2cc(cnc12)C#N |r,wU:18.19,wD:15.15,(1.7,4.29,;1.7,2.75,;3.03,1.98,;.37,1.98,;.37,.44,;1.7,-.33,;1.7,-1.87,;.37,-2.64,;-.97,-1.87,;-.97,-.33,;-2.3,.44,;-2.62,1.95,;-4.15,2.11,;-4.78,.7,;-6.27,.3,;-7.36,1.39,;-6.96,2.88,;-8.05,3.97,;-9.53,3.57,;-10.62,4.66,;-9.93,2.08,;-8.84,.99,;-3.64,-.33,;3.03,-2.64,;3.03,-4.18,;4.5,-4.66,;5.4,-3.41,;6.93,-3.25,;7.56,-1.84,;6.66,-.6,;5.12,-.76,;4.5,-2.16,;9.09,-1.68,;10.62,-1.52,)|
CC(C)Nc1cc(ncc1C1=NOC(CCC(C)(C)O)C1)-n1ncc2cc(cnc12)C#N |t:11|
COC(=O)NCC1CC(=NO1)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |c:8|
CC(C)Nc1cc(ncc1-c1cc(CC(C)(C)O)on1)-n1ncc2cc(cnc12)C#N
CCNc1cc(ncc1C1=NOC(CCC(C)(C)O)C1)-n1ncc2cc(cnc12)C#N |t:10|
CC(C)(O)CCC1CC(=NO1)c1cnc(cc1NCC(F)F)-n1ncc2cc(cnc12)C#N |c:8|
Cc1c(ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12)C1CC1 |r,wU:14.17,wD:11.10,(2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;9.34,3.85,;8,4.62,;6.67,3.85,;10.67,4.62,;10.67,6.16,;12,6.93,;13.34,6.16,;13.34,4.62,;12,3.85,;4,-.77,;;-1.54,,;-.77,1.33,)|
CN(C)C1CCC(CC1)Nc1ncnc2ccc(cc12)C1CC1 |(6.77,-2.31,;5.44,-3.08,;5.44,-4.62,;4.1,-2.31,;2.77,-3.08,;1.44,-2.31,;1.44,-.77,;2.77,0,;4.1,-.77,;.1,0,;.1,1.54,;1.44,2.31,;1.44,3.85,;.1,4.62,;-1.23,3.85,;-2.56,4.62,;-3.9,3.85,;-3.9,2.31,;-2.56,1.54,;-1.23,2.31,;-5.23,1.54,;-6.77,1.54,;-6,.2,)|
C1CC1c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:12.12,wD:15.19,(-4.56,5.28,;-6.1,5.28,;-5.33,3.95,;-5.33,2.41,;-6.66,1.64,;-6.66,.1,;-5.33,-.67,;-5.33,-2.21,;-4,-2.98,;-2.66,-2.21,;-2.66,-.67,;-1.33,.1,;0,-.67,;1.33,.1,;2.66,-.67,;2.66,-2.2,;1.33,-2.97,;0,-2.2,;4,-2.97,;4,-4.51,;5.33,-5.28,;6.66,-4.51,;6.66,-2.97,;5.33,-2.2,;-4,.1,;-4,1.64,)|
Fc1cc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2cc1C1CC1 |r,wU:9.8,wD:12.15,(-7.33,2.41,;-6,1.64,;-6,.1,;-4.66,-.67,;-4.66,-2.21,;-3.33,-2.98,;-2,-2.21,;-2,-.67,;-.66,.1,;.67,-.67,;2,.1,;3.33,-.67,;3.33,-2.2,;2,-2.97,;.67,-2.2,;4.66,-2.97,;4.66,-4.51,;6,-5.28,;7.33,-4.51,;7.33,-2.97,;6,-2.2,;-3.33,.1,;-3.33,1.64,;-4.66,2.41,;-4.66,3.95,;-3.89,5.28,;-5.43,5.28,)|
CC1(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.13,wD:16.20,(-3.84,3.55,;-5.33,3.95,;-4.56,5.28,;-6.1,5.28,;-5.33,2.41,;-6.66,1.64,;-6.66,.1,;-5.33,-.67,;-5.33,-2.21,;-4,-2.98,;-2.66,-2.21,;-2.66,-.67,;-1.33,.1,;0,-.67,;1.33,.1,;2.66,-.67,;2.66,-2.2,;1.33,-2.97,;0,-2.2,;4,-2.97,;4,-4.51,;5.33,-5.28,;6.66,-4.51,;6.66,-2.97,;5.33,-2.2,;-4,.1,;-4,1.64,)|
C1CC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.20,wD:13.13,(-.83,7.61,;-.44,6.12,;-1.92,5.72,;-2.32,7.21,;-2.69,4.39,;-4.23,4.39,;-5,3.05,;-4.23,1.72,;-5,.39,;-4.23,-.95,;-2.69,-.95,;-1.92,.39,;-.38,.39,;.39,-.95,;-.38,-2.28,;.39,-3.61,;1.92,-3.61,;2.69,-2.28,;1.92,-.95,;2.69,-4.94,;1.92,-6.27,;2.69,-7.61,;4.23,-7.61,;5,-6.27,;4.23,-4.94,;-2.69,1.72,;-1.92,3.05,)|
C1CCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.21,wD:14.14,(.09,6.94,;-1.15,7.85,;-2.4,6.94,;-1.92,5.48,;-.38,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.81,;-4.23,1.48,;-5,.14,;-4.23,-1.19,;-2.69,-1.19,;-1.92,.14,;-.38,.14,;.39,-1.19,;-.38,-2.52,;.39,-3.85,;1.92,-3.85,;2.69,-2.52,;1.92,-1.19,;2.69,-5.18,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.18,;-2.69,1.48,;-1.92,2.81,)|
C1CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:18.22,wD:15.15,(-.38,8,;.39,6.66,;-.38,5.33,;-1.92,5.33,;-2.69,6.66,;-1.92,8,;-2.69,4,;-4.23,4,;-5,2.66,;-4.23,1.33,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;-.38,-2.67,;.39,-4,;1.92,-4,;2.69,-2.67,;1.92,-1.34,;2.69,-5.33,;1.92,-6.66,;2.69,-8,;4.23,-8,;5,-6.66,;4.23,-5.33,;-2.69,1.33,;-1.92,2.66,)|
C1OCC1c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.13,wD:16.20,(9.49,-2.68,;9.89,-4.17,;8.4,-4.57,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;-2.67,-7.7,;-4,-6.93,;-5.33,-7.7,;-5.33,-9.24,;-4,-10.01,;-2.67,-9.24,;4,-2.31,;5.33,-3.08,)|
C1CC(CO1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.21,wD:14.14,(-1.15,7.85,;-2.4,6.94,;-1.92,5.48,;-.38,5.48,;.09,6.94,;-2.69,4.15,;-4.23,4.15,;-5,2.81,;-4.23,1.48,;-5,.14,;-4.23,-1.19,;-2.69,-1.19,;-1.92,.14,;-.38,.14,;.39,-1.19,;-.38,-2.52,;.39,-3.85,;1.92,-3.85,;2.69,-2.52,;1.92,-1.19,;2.69,-5.18,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.18,;-2.69,1.48,;-1.92,2.81,)|
C1COC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:14.14,wD:17.21,(9.67,-4.93,;10.44,-3.6,;9.41,-2.45,;8,-3.08,;8.16,-4.61,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;-2.67,-7.7,;-4,-6.93,;-5.33,-7.7,;-5.33,-9.24,;-4,-10.01,;-2.67,-9.24,;4,-2.31,;5.33,-3.08,)|
N#CC1CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(-9.33,1.16,;-8,.39,;-6.66,-.38,;-5.33,.39,;-4,-.38,;-4,-1.92,;-5.33,-2.69,;-6.66,-1.92,;-2.66,-2.69,;-2.66,-4.23,;-1.33,-5,;0,-4.23,;1.34,-5,;2.67,-4.23,;2.67,-2.69,;1.34,-1.92,;1.34,-.38,;2.67,.39,;4,-.38,;5.33,.39,;5.33,1.92,;4,2.69,;2.67,1.92,;6.66,2.69,;8,1.92,;9.33,2.69,;9.33,4.23,;8,5,;6.66,4.23,;0,-2.69,;-1.33,-1.92,)|
FC1(F)CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(-8.77,-.38,;-7.23,-.38,;-8,.95,;-5.89,.39,;-4.56,-.38,;-4.56,-1.92,;-5.89,-2.69,;-7.23,-1.92,;-3.23,-2.69,;-3.23,-4.23,;-1.89,-5,;-.56,-4.23,;.77,-5,;2.11,-4.23,;2.11,-2.69,;.77,-1.92,;.77,-.38,;2.11,.39,;3.44,-.38,;4.77,.39,;4.77,1.92,;3.44,2.69,;2.11,1.92,;6.1,2.69,;7.43,1.92,;8.77,2.69,;8.77,4.23,;7.43,5,;6.1,4.23,;-.56,-2.69,;-1.89,-1.92,)|
C1CC(CCO1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:18.22,wD:15.15,(-4,5.39,;-4,3.85,;-5.33,3.08,;-6.66,3.85,;-6.66,5.39,;-5.33,6.16,;-5.33,1.54,;-6.66,.77,;-6.66,-.77,;-5.33,-1.54,;-5.33,-3.08,;-4,-3.85,;-2.66,-3.08,;-2.66,-1.54,;-1.33,-.77,;0,-1.54,;0,-3.08,;1.33,-3.85,;2.66,-3.08,;2.66,-1.54,;1.33,-.77,;4,-3.85,;4,-5.39,;5.33,-6.16,;6.66,-5.39,;6.66,-3.85,;5.33,-3.08,;-4,-.77,;-4,.77,)|
C1COCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:18.22,wD:15.15,(-4,5.39,;-5.33,6.16,;-6.66,5.39,;-6.66,3.85,;-5.33,3.08,;-4,3.85,;-5.33,1.54,;-6.66,.77,;-6.66,-.77,;-5.33,-1.54,;-5.33,-3.08,;-4,-3.85,;-2.66,-3.08,;-2.66,-1.54,;-1.33,-.77,;0,-1.54,;0,-3.08,;1.33,-3.85,;2.66,-3.08,;2.66,-1.54,;1.33,-.77,;4,-3.85,;4,-5.39,;5.33,-6.16,;6.66,-5.39,;6.66,-3.85,;5.33,-3.08,;-4,-.77,;-4,.77,)|
OC(=O)C1CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:21.25,wD:18.18,(-9.33,-.38,;-8,.39,;-8,1.93,;-6.66,-.38,;-5.33,.39,;-4,-.38,;-4,-1.92,;-5.33,-2.69,;-6.66,-1.92,;-2.66,-2.69,;-2.66,-4.23,;-1.33,-5,;0,-4.23,;1.34,-5,;2.67,-4.23,;2.67,-2.69,;1.34,-1.92,;1.34,-.38,;2.67,.39,;4,-.38,;5.33,.39,;5.33,1.92,;4,2.69,;2.67,1.92,;6.66,2.69,;8,1.92,;9.33,2.69,;9.33,4.23,;8,5,;6.66,4.23,;0,-2.69,;-1.33,-1.92,)|
OC1CCCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;9.34,-5.39,;8,-4.62,;8,-3.08,;9.34,-2.31,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;-2.67,-7.7,;-4,-6.93,;-5.33,-7.7,;-5.33,-9.24,;-4,-10.01,;-2.67,-9.24,;4,-2.31,;5.33,-3.08,)|
Cc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CCc1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCC(CC3)N3CCCC3)nc2cc1C
Cc1cc2nn(CC(=O)N3CCC(CC3)N3CCCC3)cc2cc1NC(=O)c1ccc(F)cn1
Cc1cc2nn(CC(=O)N3CCN(CC3)C(=O)C(C)(C)CO)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COCC(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(C)cc2n1
COc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1cccc(C)n1
COc1cc2nn(CC(=O)N3CCN(CC4CC4)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CC(=O)N3CCN(CC4CC4)CC3)cc2cc1NC(=O)c1cccc(C)n1
COc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C1CC1
COc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(C)O
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OC(F)(F)F)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(C)n3)c(OC(F)(F)F)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3csc(NC4CN(C4)C(=O)OC(C)(C)C)n3)c(OC(F)(F)F)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(Br)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(C)n3)c(Br)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3coc(n3)C3CC3)c(Br)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3csc(NC4CN(C4)C(=O)OC(C)(C)C)n3)c(Br)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3csc(NC4CNC4)n3)c(OC(F)(F)F)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C#N
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3ccc(C)nc3)ccc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3cncc(C)c3)ccc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3cnccc3C)ccc2n1
COc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(C)CC3)cc2c1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3ccc(NC(C)=O)nc3)ccc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3ccc(nc3)[N+]([O-])=O)ccc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3ccc(N)nc3)ccc2n1
Fc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Fc1cc2nn(CC(=O)N3CCN(CC3)C(=O)C3CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(F)cc2n1
Cc1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCN(CC3)C(=O)C3CC3)nc2cc1F
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(C)n3)c(F)cc2n1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCN(CC3)C(=O)C3CC3)nc2cc1F
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)nc2cc1F
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3cnn(C)c3)c(F)cc2n1
Cn1cc(cn1)-c1nc(ccc1F)C(=O)Nc1cc2cn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)nc2cc1F
Cn1cc(cn1)-c1nc(ccc1F)C(=O)Nc1cc2cn(CC(=O)N3CCN(CC3)C(=O)C3CC3)nc2cc1F
Fc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)N1CCOCC1
Fc1cc2nn(CC(=O)N3CCN(CC3)C(=O)C3CC3)cc2cc1NC(=O)c1cccc(n1)N1CCOCC1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)N3CCOCC3)c(F)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCc3ccccc3)cc2n1
CC(C)COc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)COc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)COc1cc2nn(CC(=O)NCN(C)CC3CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCC3CC3)cc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC1CC1
CC(C)(O)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCC3CC3)cc2n1
CN(CC1CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCC3CC3)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCc3ccccn3)cc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCc1ccccn1
CC(C)(O)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCc3ccccn3)cc2n1
CN(CC1CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCc3ccccn3)cc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1Cl
CCOC(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(Cl)cc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCC(CC3)N3CCCC3)nc2cc1Cl
CC(C)(O)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(Cl)cc2n1
CC(C)(CO)C(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(Cl)cc2n1
CN(C)C1CN(C1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(Cl)cc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CC(C3)N3CCCCC3)nc2cc1Cl
CC(C)(O)CC1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(Cl)cc2n1
OC1CCN(CC1)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(Cl)cc2n1
COc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CCOc1cc2nn(CC(=O)N3CCC(CC3)N(C)C)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CCOc1cc2nn(CC(=O)N3CCC(CC3)N3CCCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CCOc1cc2c(cc1NC(=O)c3cccc(n3)C(F)(F)F)cn(n2)CC(=O)N4CCN(CC4)C
CCOc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CCOc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Cc1n(CC(=O)N2CCN(CC2)C(=O)c2ccccc2)nc2ccc(NC(=O)c3cccc(n3)C(F)(F)F)cc12
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CCC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
O=C(Cn1cc2cc(NC(=O)c3csc(n3)-c3cccnc3)ccc2n1)N1CCN(CC1)C(=O)C1CC1
O=C(Cn1cc2cc(NC(=O)c3csc(n3)-c3ccncc3)ccc2n1)N1CCN(CC1)C(=O)C1CC1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)C3CC3)cc2c1
O=C(Cn1cc2cc(NC(=O)c3cccc(NC4CNC4)n3)ccc2n1)N1CCC(CC1)C(=O)C1CC1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3csc(n3)-c3cccnc3)ccc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3cnn(C)c3)ccc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3cn[nH]c3)ccc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3cn(C)nc3C)ccc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3c[nH]nc3C(F)(F)F)ccc2n1
CCc1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(C)CC3)cc2c1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC(F)(F)F)CC3)cc2c1
FC(F)(F)CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
CCN1CCN(CC1=O)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3cnn(C)c3)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Cc1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
O=C(Cn1cc2cc(NC(=O)c3cccc(n3)N3CCOCC3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
O=C(Cn1cc2cc(NC(=O)c3csc(n3)-c3ccncc3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
Clc1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Cc1ncc(o1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Cc1nc(co1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
COc1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
O=C(Cn1cc2cc(NC(=O)c3coc(n3)C3CC3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
O=C(Cn1cc2cc(NC(=O)c3cccc(n3)-n3cnnc3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
O=C(Cn1cc2cc(NC(=O)c3cnn(n3)-c3ccccc3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
Cn1nccc1-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
FC(F)(F)c1nc(cs1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
O=C(Cn1cc2cc(NC(=O)c3cccc(n3)-n3cccn3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
CCn1ccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Clc1cnn(c1)-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
FC(F)(F)c1csc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Cc1nn(C)cc1-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
O=C(Cn1cc2cc(NC(=O)c3cccc(n3)-c3ccncc3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
O=C(Cn1cc2cc(NC(=O)c3cccc(n3)-c3cn[nH]c3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
Cn1cc(cn1)-c1nc(ccc1F)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Cc1n[nH]cc1-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
O=C(Cn1cc2cc(NC(=O)c3cccc(n3)-n3cncn3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
FC(F)(F)c1n[nH]cc1-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
CCOc1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
O=C(Cn1cc2cc(NC(=O)c3cccc(OCC4CC4)n3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
CCc1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
COc1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Brc1nc(cs1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Fc1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Fc1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Brc1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Fc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)c3ccccn3)cc2c1
COCC(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(C4CCCC4)C(=O)C3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(C(=O)C3)c3ccccc3)cc2c1
CC(C)(C)C(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC4CC4)CC3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)Nc3ccnnc3)cc2c1
CC(N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1)c1ccccc1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3cccnc3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccncc3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)N3CCOCC3)cc2c1
CNC(=O)CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)c3cnccn3)cc2c1
C[C@@H](O)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1 |r|
CN1CCC2(C1)CCN(CC2)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
CC(=O)N1CC2(C1)CN(C2)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC4(CNC(=O)C4)CC3)cc2c1
CN1CCCC2(CN(C2)C(=O)Cn2cc3cc(NC(=O)c4cccc(n4)C(F)(F)F)ccc3n2)C1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CC4(C3)CCOCC4)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC(CC3)N3CCCCC3)cc2c1
OC[C@@H]1CCCCN1C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1 |r|
OC[C@H]1CCCN(C1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1 |r|
NC(=O)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
CN(C)[C@@H]1CCCN(C1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1 |r|
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC[C@H](CN4CCOCC4)C3)cc2c1 |r|
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC(CC3)NC(=O)C3CC3)cc2c1
CCc1noc(n1)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC(Cc4noc(n4)C4CC4)CC3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC(CC3)C(=O)N3CCCC3)cc2c1
CN1CCN(CC1)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC(CCN4CCOCC4)CC3)cc2c1
Cc1nc(CC2CCN(CC2)C(=O)Cn2cc3cc(NC(=O)c4cccc(n4)C(F)(F)F)ccc3n2)no1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC[C@H](CN4CCCC4)C3)cc2c1 |r|
CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2cc3cc(NC(=O)c4cccc(n4)C(F)(F)F)ccc3n2)c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)Nc3cnoc3)cc2c1
CS(=O)(=O)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC(CC3)S(=O)(=O)c3ccccc3)cc2c1
NS(=O)(=O)c1cccc(NC(=O)Cn2cc3cc(NC(=O)c4cccc(n4)C(F)(F)F)ccc3n2)c1
CN(C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1)C(=O)c1ccncc1
CC(C)NC(=O)CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C3CCS(=O)(=O)C3)cc2c1
COCC(=O)N(C)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
CCOC(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)C3CCCCC3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2c1
OCCC1CCCCN1C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC(CC3)N3CCCC3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC(CC3)n3cccc3)cc2c1
OCCCN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
NC(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC(CC3)N3CCCC3=O)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCOCC3)cc2c1
NC(=O)CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCS(=O)(=O)CC3)cc2c1
CC(C)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
CC(N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1)c1cccs1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC(=O)C4CC4)CC3)cc2c1
Cn1cc(CN2CCN(CC2)C(=O)Cn2cc3cc(NC(=O)c4cccc(n4)C(F)(F)F)ccc3n2)cn1
Cc1cc(nn1C)C(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
CCN(CC)C(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCSCC3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(Cc4ccco4)CC3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(Cc4ccsc4)CC3)cc2c1
CC1(CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1)N1CCCCC1
CN1CC2(C1)CN(C2)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C3CCCC3)cc2c1
OCCOCCN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(Cc4ccncc4)CC3)cc2c1
CN(C)S(=O)(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)c3ccncc3)cc2c1
CS(=O)(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CCn4ccnc4)CC3)cc2c1
CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)c3cccnc3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)S(=O)(=O)N3CCCCC3)cc2c1
Cc1c(cnn1C)S(=O)(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC4CC4)CC3)cc2c1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2c1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCC(CC3)N3CCCC3)cc2c1
CCN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3cnn(C)c3)ccc2n1
CN(C)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3cnn(C)c3)ccc2n1
COc1cc2nn(CC(=O)N(C)CC3CC3)cc2cc1NC(=O)c1cccc(C)n1
CCOc1cc2nn(CC(=O)N(C)CC3CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CC(=O)N(C)CC3CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1cccc(n1)C1CC1
COc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1cccc(n1)C(C)O
O=C(Cn1cc2cc(NC(=O)c3cccc(NC4CNC4)n3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
O=C(Cn1cc2cc(NC(=O)c3cccc(NCC4CCN4)n3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
OC1CN(C1)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
C[C@H]1CN(C[C@@H](C)O1)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCC(CC3)N3CCCC3)nc2cc1C |r|
CN1CCN(CC1)C(=O)C1(C)CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N[C@@H]3CCCNC3)nc2cc1Cl |r|
CC(C)Oc1cc2nn(CC(=O)N3CCN(CC3)C(=O)C3CC3)cc2cc1NC(=O)c1cccc(C)n1
CC(C)Oc1cc2nn(CC(=O)N3CCN(CC3)C(=O)C3CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)Oc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(C)n1
CC(C)Oc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)Oc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)C3CCC3)cc2c1
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)C3CCCC3)cc2c1
CS(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
COc1ccc(cc1C(=O)N1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1)S(C)(=O)=O
Cc1cc2nn(CC(=O)N3CCC(CC3)N3CCCC3)cc2cc1NC(=O)c1cccc(Br)n1
COc1ccc(cc1)-c1nc(cs1)C(=O)Nc1cc2cn(CC(=O)N3CCC(CC3)N3CCCC3)nc2cc1C
Cc1cc2nn(CC(=O)N3CCC(CC3)N3CCCC3)cc2cc1NC(=O)c1csc(n1)-c1ccc(F)cc1
Cc1cc2cn(CC(=O)N3CCC(CC3)N3CCCC3)nc2cc1NC(=O)c1cccc(c1)C(F)(F)F
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(Br)n3)ccc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(Br)n3)c(OC(F)(F)F)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-n3cnnc3)c(OC(F)(F)F)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3csc(Br)n3)c(Br)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(O)cc2n1
Cc1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCC(CC3)C(C)(C)O)nc2cc1OCc1ccccc1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(Br)n3)c(Br)cc2n1
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(C)n3)c(OCc3ccccc3)cc2n1
O=C(Cn1cc2cc(NC(=O)c3csc(NC4CNC4)n3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(NC(C)=O)n1
COc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1cccc(n1)N(C)C
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)N(C)C
COc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1cccc(NC(C)=O)n1
COc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(n1)N(C)C
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)-c3cccc(c3)S(C)(=O)=O)ccc2n1
CC(C(=O)N1CCN(CC1)C(=O)c1ccccc1)n1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2n1
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(Cl)cc2n1 |r,wU:7.10,wD:4.3,(9.11,4,;9.88,2.67,;11.42,2.67,;10.65,4,;9.11,1.33,;7.57,1.33,;6.8,,;7.57,-1.33,;9.11,-1.33,;9.88,,;6.8,-2.67,;5.26,-2.67,;4.49,-4,;4.49,-1.33,;2.95,-1.33,;2.05,-.09,;.58,-.56,;-.75,.21,;-2.09,-.56,;-3.42,.21,;-4.75,-.56,;-4.75,-2.1,;-6.09,.21,;-6.09,1.75,;-7.42,2.52,;-8.75,1.75,;-8.75,.21,;-7.42,-.56,;-10.09,-.56,;-11.42,.21,;-10.09,-2.1,;-8.75,-1.33,;-2.09,-2.1,;-3.42,-2.87,;-.75,-2.87,;.58,-2.1,;2.05,-2.58,)|
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(C)(C)O
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCC(F)(F)C3)nc2cc1Cl
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCCC3)nc2cc1Cl
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCC4(COC4)CC3)nc2cc1Cl
CC(C)(O)CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(Cl)cc2n1
COc1cc2nn(CC(=O)N3CCCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CC(=O)N3CCC(F)(F)C3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)F
COc1cc2nn(CC(=O)N3CCC(F)(F)C3)cc2cc1NC(=O)c1cccc(C)n1
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C)n1
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1coc(n1)C1CCOCC1
COc1cc2nn(CC(=O)N3CC4(CCS4(=O)=O)C3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CC(=O)N3CC4(COC4)C3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(CO)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CCc1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OC
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(CC(C)C)n1
COC(=O)c1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COC(=O)c1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C)n1
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)N1CCCC1
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)N1CCOCC1
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(NC2CC2)n1
CCCCNc1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OC
CCCNc1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OC
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(NCC(C)C)n1
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(O)C(F)(F)F
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(C)O
COc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(NC2CC2)n1
CCCNc1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCN(C)CC3)nc2cc1OC
COc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(NCC(C)C)n1
COc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(n1)C(C)O
COc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cc(C)cc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCc1ccccc1
COc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1cccc(NC2CC2)n1
CCCCNc1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCC(CC3)C(C)(C)O)nc2cc1OC
COCCNc1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCC(CC3)C(C)(C)O)nc2cc1OC
CCCNc1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCC(CC3)C(C)(C)O)nc2cc1OC
COc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1cccc(NCC(C)C)n1
COc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1ccc(F)c(C)n1
Oc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCCCC#N
FC(F)(F)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC1CCCCC1
CC(C)(C)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC1CCCO1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OC1CCCC1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC#N
OC(=O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC1CCC1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCCN1CCCC1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCCN1CCOCC1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCCN1CCCCC1
OCCCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
OCCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COCCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CCOC(=O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COC(=O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CCOC(=O)C(C)Oc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CCOC(=O)C(Oc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C(C)C
CC(Oc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C(O)=O
CC(C)(O)c1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)F)c(Cl)cc2n1
FC(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1Cl
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnnc(C)c1 |r,wU:3.2,wD:6.9,(2.31,-7.34,;3.08,-6,;4.62,-6,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;2.31,6,;,4.67,)|
CN(C)C1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccccc1 |(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;,4.67,;.77,6,;,7.34,;-1.54,7.34,;-2.31,6,)|
CN(C)C1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccncc1 |(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;,4.67,;.77,6,;,7.34,;-1.54,7.34,;-2.31,6,)|
CN(C)C1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cccnc1 |(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;,4.67,;.77,6,;,7.34,;-1.54,7.34,;-2.31,6,)|
COc1cc(ccn1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:20.24,wD:17.17,(3.08,4.67,;2.31,6,;.77,6,;,4.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;-2.31,3.33,;-3.85,3.33,;-4.62,2,;-3.85,.67,;-4.62,-.67,;-3.85,-2,;-2.31,-2,;-1.54,-.67,;,-.67,;.77,-2,;,-3.33,;.77,-4.67,;2.31,-4.67,;3.08,-3.33,;2.31,-2,;3.08,-6,;4.62,-6,;2.31,-7.34,;-2.31,.67,;-1.54,2,)|
CN\C=C(/C=N)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:15.14,wD:18.21,(1.81,7.05,;.48,6.28,;,4.82,;-1.54,4.82,;-2.02,6.28,;-.77,7.19,;-2.31,3.48,;-3.85,3.48,;-4.62,2.15,;-3.85,.82,;-4.62,-.52,;-3.85,-1.85,;-2.31,-1.85,;-1.54,-.52,;,-.52,;.77,-1.85,;2.31,-1.85,;3.08,-3.19,;2.31,-4.52,;.77,-4.52,;,-3.19,;3.08,-5.85,;4.62,-5.85,;2.31,-7.19,;-2.31,.82,;-1.54,2.15,)|
CN(C)C1CCC(CC1)Nc1ncnc2ccc(cc12)C(=C\N)\C=N |(4.62,-5.85,;3.08,-5.85,;2.31,-7.19,;2.31,-4.52,;.77,-4.52,;,-3.19,;.77,-1.85,;2.31,-1.85,;3.08,-3.19,;,-.52,;-1.54,-.52,;-2.31,-1.85,;-3.85,-1.85,;-4.62,-.52,;-3.85,.82,;-4.62,2.15,;-3.85,3.48,;-2.31,3.48,;-1.54,2.15,;-2.31,.82,;-1.54,4.82,;,4.82,;.48,6.28,;-2.02,6.28,;-.77,7.19,)|
CN(C)C1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc(N)nc1 |(4.62,-6.67,;3.08,-6.67,;2.31,-8,;2.31,-5.33,;.77,-5.33,;,-4,;.77,-2.67,;2.31,-2.67,;3.08,-4,;,-1.33,;-1.54,-1.33,;-2.31,-2.67,;-3.85,-2.67,;-4.62,-1.33,;-3.85,,;-4.62,1.33,;-3.85,2.67,;-2.31,2.67,;-1.54,1.33,;-2.31,,;-1.54,4,;,4,;.77,5.33,;,6.67,;.77,8,;-1.54,6.67,;-2.31,5.33,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(=N)\C=C/N |r,wU:3.2,wD:6.9,(4.62,-5.85,;3.08,-5.85,;2.31,-7.19,;2.31,-4.52,;.77,-4.52,;,-3.19,;.77,-1.85,;2.31,-1.85,;3.08,-3.19,;,-.52,;-1.54,-.52,;-2.31,-1.85,;-3.85,-1.85,;-4.62,-.52,;-3.85,.82,;-4.62,2.15,;-3.85,3.48,;-2.31,3.48,;-1.54,2.15,;-2.31,.82,;-1.54,4.82,;,4.82,;-2.02,6.28,;-.77,7.19,;.48,6.28,)|
CNc1ncc(cn1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:20.24,wD:17.17,(2.31,8,;.77,8,;,6.67,;.77,5.33,;,4,;-1.54,4,;-2.31,5.33,;-1.54,6.67,;-2.31,2.67,;-3.85,2.67,;-4.62,1.33,;-3.85,,;-4.62,-1.33,;-3.85,-2.67,;-2.31,-2.67,;-1.54,-1.33,;,-1.33,;.77,-2.67,;,-4,;.77,-5.33,;2.31,-5.33,;3.08,-4,;2.31,-2.67,;3.08,-6.67,;4.62,-6.67,;2.31,-8,;-2.31,,;-1.54,1.33,)|
CCOC(C)N\C=C(/C=N)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:22.25,wD:19.18,(1.9,9.5,;.56,8.73,;.56,7.19,;-.77,6.42,;-2.1,7.19,;-.77,4.88,;-2.02,3.97,;-1.54,2.51,;,2.51,;.48,3.97,;-2.31,1.17,;-3.85,1.17,;-4.62,-.16,;-3.85,-1.49,;-4.62,-2.83,;-3.85,-4.16,;-2.31,-4.16,;-1.54,-2.83,;,-2.83,;.77,-4.16,;,-5.5,;.77,-6.83,;2.31,-6.83,;3.08,-5.5,;2.31,-4.16,;3.08,-8.16,;4.62,-8.16,;2.31,-9.5,;-2.31,-1.49,;-1.54,-.16,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(\C=N)=C\NCCN1CCOCC1 |r,wU:3.2,wD:6.9,(3.52,-7.49,;1.98,-7.49,;1.21,-8.82,;1.21,-6.15,;-.33,-6.15,;-1.1,-4.82,;-.33,-3.48,;1.21,-3.48,;1.98,-4.82,;-1.1,-2.15,;-2.64,-2.15,;-3.41,-3.48,;-4.95,-3.48,;-5.72,-2.15,;-4.95,-.82,;-5.72,.52,;-4.95,1.85,;-3.41,1.85,;-2.64,.52,;-3.41,-.82,;-2.64,3.18,;-3.12,4.65,;-1.87,5.55,;-1.1,3.18,;-.63,4.65,;.86,5.05,;1.26,6.53,;2.75,6.93,;3.84,5.84,;5.32,6.24,;5.72,7.73,;4.63,8.82,;3.15,8.42,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(\C=N)=C\NC1CCCCO1 |r,wU:3.2,wD:6.9,(4.62,-6.94,;3.08,-6.94,;2.31,-8.27,;2.31,-5.61,;.77,-5.61,;,-4.27,;.77,-2.94,;2.31,-2.94,;3.08,-4.27,;,-1.61,;-1.54,-1.61,;-2.31,-2.94,;-3.85,-2.94,;-4.62,-1.61,;-3.85,-.27,;-4.62,1.06,;-3.85,2.4,;-2.31,2.4,;-1.54,1.06,;-2.31,-.27,;-1.54,3.73,;-2.02,5.19,;-.77,6.1,;,3.73,;.48,5.19,;1.81,5.96,;1.81,7.5,;3.14,8.27,;4.48,7.5,;4.48,5.96,;3.14,5.19,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(\C=N)=C\NCc1ccccn1 |r,wU:3.2,wD:6.9,(4.62,-8.1,;3.08,-8.1,;2.31,-9.43,;2.31,-6.76,;.77,-6.76,;,-5.43,;.77,-4.09,;2.31,-4.09,;3.08,-5.43,;,-2.76,;-1.54,-2.76,;-2.31,-4.09,;-3.85,-4.09,;-4.62,-2.76,;-3.85,-1.43,;-4.62,-.09,;-3.85,1.24,;-2.31,1.24,;-1.54,-.09,;-2.31,-1.43,;-1.54,2.57,;-2.02,4.04,;-.77,4.94,;,2.57,;.48,4.04,;1.81,4.81,;1.81,6.35,;.48,7.12,;.48,8.66,;1.81,9.43,;3.14,8.66,;3.14,7.12,)|
CCN\C=C(/C=N)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:19.22,wD:16.15,(-2.1,8.34,;-.77,7.57,;-.77,6.03,;-2.02,5.13,;-1.54,3.66,;,3.66,;.48,5.13,;-2.31,2.33,;-3.85,2.33,;-4.62,.99,;-3.85,-.34,;-4.62,-1.67,;-3.85,-3.01,;-2.31,-3.01,;-1.54,-1.67,;,-1.67,;.77,-3.01,;,-4.34,;.77,-5.67,;2.31,-5.67,;3.08,-4.34,;2.31,-3.01,;3.08,-7.01,;4.62,-7.01,;2.31,-8.34,;-2.31,-.34,;-1.54,.99,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(\C=N)=C\NCc1ccncc1 |r,wU:3.2,wD:6.9,(4.62,-8.1,;3.08,-8.1,;2.31,-9.43,;2.31,-6.76,;.77,-6.76,;,-5.43,;.77,-4.09,;2.31,-4.09,;3.08,-5.43,;,-2.76,;-1.54,-2.76,;-2.31,-4.09,;-3.85,-4.09,;-4.62,-2.76,;-3.85,-1.43,;-4.62,-.09,;-3.85,1.24,;-2.31,1.24,;-1.54,-.09,;-2.31,-1.43,;-1.54,2.57,;-2.02,4.04,;-.77,4.94,;,2.57,;.48,4.04,;1.81,4.81,;1.81,6.35,;3.14,7.12,;3.14,8.66,;1.81,9.43,;.48,8.66,;.48,7.12,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1ccncc1C#N |r,wU:3.2,wD:6.9,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;,4.67,;.77,3.33,;1.54,2,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1ccncc1C |r,wU:3.2,wD:6.9,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;,4.67,;.77,3.33,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnccc1C#N |r,wU:3.2,wD:6.9,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;,4.67,;.77,3.33,;1.54,2,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(c1)N1CCOCC1 |r,wU:3.2,wD:6.9,(4.62,-8,;3.08,-8,;2.31,-9.34,;2.31,-6.67,;.77,-6.67,;,-5.33,;.77,-4,;2.31,-4,;3.08,-5.33,;,-2.67,;-1.54,-2.67,;-2.31,-4,;-3.85,-4,;-4.62,-2.67,;-3.85,-1.33,;-4.62,,;-3.85,1.33,;-2.31,1.33,;-1.54,,;-2.31,-1.33,;-1.54,2.67,;,2.67,;.77,4,;,5.33,;-1.54,5.33,;-2.31,4,;-2.31,6.67,;-1.54,8,;-2.31,9.34,;-3.85,9.34,;-4.62,8,;-3.85,6.67,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(=C(/C)O)\C(C)=N |r,wU:3.2,wD:6.9,(4.62,-5.85,;3.08,-5.85,;2.31,-7.19,;2.31,-4.52,;.77,-4.52,;,-3.19,;.77,-1.85,;2.31,-1.85,;3.08,-3.19,;,-.52,;-1.54,-.52,;-2.31,-1.85,;-3.85,-1.85,;-4.62,-.52,;-3.85,.82,;-4.62,2.15,;-3.85,3.48,;-2.31,3.48,;-1.54,2.15,;-2.31,.82,;-1.54,4.82,;,4.82,;.77,3.48,;.48,6.28,;-2.02,6.28,;-3.35,7.05,;-.77,7.19,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncnc1 |r,wU:3.2,wD:6.9,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;,4.67,;.77,6,;,7.34,;-1.54,7.34,;-2.31,6,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(=C(/C)O)\C(=N)c1ccccc1 |r,wU:3.2,wD:6.9,(4.62,-5.85,;3.08,-5.85,;2.31,-7.19,;2.31,-4.52,;.77,-4.52,;,-3.19,;.77,-1.85,;2.31,-1.85,;3.08,-3.19,;,-.52,;-1.54,-.52,;-2.31,-1.85,;-3.85,-1.85,;-4.62,-.52,;-3.85,.82,;-4.62,2.15,;-3.85,3.48,;-2.31,3.48,;-1.54,2.15,;-2.31,.82,;-1.54,4.82,;-2.02,6.28,;-3.35,7.05,;-.77,7.19,;,4.82,;.48,6.28,;.77,3.48,;,2.15,;.77,.82,;2.31,.82,;3.08,2.15,;2.31,3.48,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1ccc(nc1)C#N |r,wU:3.2,wD:6.9,(4.62,-7.34,;3.08,-7.34,;2.31,-8.67,;2.31,-6,;.77,-6,;,-4.67,;.77,-3.33,;2.31,-3.33,;3.08,-4.67,;,-2,;-1.54,-2,;-2.31,-3.33,;-3.85,-3.33,;-4.62,-2,;-3.85,-.67,;-4.62,.67,;-3.85,2,;-2.31,2,;-1.54,.67,;-2.31,-.67,;-1.54,3.33,;-2.31,4.67,;-1.54,6,;,6,;.77,4.67,;,3.33,;.77,7.34,;1.54,8.67,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1ccc(O)nc1 |r,wU:3.2,wD:6.9,(4.62,-6.67,;3.08,-6.67,;2.31,-8,;2.31,-5.33,;.77,-5.33,;,-4,;.77,-2.67,;2.31,-2.67,;3.08,-4,;,-1.33,;-1.54,-1.33,;-2.31,-2.67,;-3.85,-2.67,;-4.62,-1.33,;-3.85,,;-4.62,1.33,;-3.85,2.67,;-2.31,2.67,;-1.54,1.33,;-2.31,,;-1.54,4,;,4,;.77,5.33,;,6.67,;.77,8,;-1.54,6.67,;-2.31,5.33,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc(N)nc1 |r,wU:3.2,wD:6.9,(4.62,-6.67,;3.08,-6.67,;2.31,-8,;2.31,-5.33,;.77,-5.33,;,-4,;.77,-2.67,;2.31,-2.67,;3.08,-4,;,-1.33,;-1.54,-1.33,;-2.31,-2.67,;-3.85,-2.67,;-4.62,-1.33,;-3.85,,;-4.62,1.33,;-3.85,2.67,;-2.31,2.67,;-1.54,1.33,;-2.31,,;-1.54,4,;,4,;.77,5.33,;,6.67,;.77,8,;-1.54,6.67,;-2.31,5.33,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1ccc(C)nc1 |r,wU:3.2,wD:6.9,(4.62,-6.67,;3.08,-6.67,;2.31,-8,;2.31,-5.33,;.77,-5.33,;,-4,;.77,-2.67,;2.31,-2.67,;3.08,-4,;,-1.33,;-1.54,-1.33,;-2.31,-2.67,;-3.85,-2.67,;-4.62,-1.33,;-3.85,,;-4.62,1.33,;-3.85,2.67,;-2.31,2.67,;-1.54,1.33,;-2.31,,;-1.54,4,;-2.31,5.33,;-1.54,6.67,;,6.67,;.77,8,;.77,5.33,;,4,)|
COC(=O)c1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:22.26,wD:19.19,(-4.62,8.67,;-3.85,7.34,;-2.31,7.34,;-1.54,8.67,;-1.54,6,;,6,;.77,4.67,;,3.33,;-1.54,3.33,;-2.31,4.67,;-2.31,2,;-3.85,2,;-4.62,.67,;-3.85,-.67,;-4.62,-2,;-3.85,-3.33,;-2.31,-3.33,;-1.54,-2,;,-2,;.77,-3.33,;,-4.67,;.77,-6,;2.31,-6,;3.08,-4.67,;2.31,-3.33,;3.08,-7.34,;4.62,-7.34,;2.31,-8.67,;-2.31,-.67,;-1.54,.67,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(=C\O)\C=N |r,wU:3.2,wD:6.9,(4.62,-5.85,;3.08,-5.85,;2.31,-7.19,;2.31,-4.52,;.77,-4.52,;,-3.19,;.77,-1.85,;2.31,-1.85,;3.08,-3.19,;,-.52,;-1.54,-.52,;-2.31,-1.85,;-3.85,-1.85,;-4.62,-.52,;-3.85,.82,;-4.62,2.15,;-3.85,3.48,;-2.31,3.48,;-1.54,2.15,;-2.31,.82,;-1.54,4.82,;,4.82,;.48,6.28,;-2.02,6.28,;-.77,7.19,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc(O)nc1 |r,wU:3.2,wD:6.9,(4.62,-6.67,;3.08,-6.67,;2.31,-8,;2.31,-5.33,;.77,-5.33,;,-4,;.77,-2.67,;2.31,-2.67,;3.08,-4,;,-1.33,;-1.54,-1.33,;-2.31,-2.67,;-3.85,-2.67,;-4.62,-1.33,;-3.85,,;-4.62,1.33,;-3.85,2.67,;-2.31,2.67,;-1.54,1.33,;-2.31,,;-1.54,4,;,4,;.77,5.33,;,6.67,;.77,8,;-1.54,6.67,;-2.31,5.33,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1ccncc1F |r,wU:3.2,wD:6.9,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;,4.67,;.77,3.33,)|
COc1ccncc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:20.24,wD:17.17,(2.31,3.33,;.77,3.33,;,4.67,;.77,6,;,7.34,;-1.54,7.34,;-2.31,6,;-1.54,4.67,;-2.31,3.33,;-3.85,3.33,;-4.62,2,;-3.85,.67,;-4.62,-.67,;-3.85,-2,;-2.31,-2,;-1.54,-.67,;,-.67,;.77,-2,;,-3.33,;.77,-4.67,;2.31,-4.67,;3.08,-3.33,;2.31,-2,;3.08,-6,;4.62,-6,;2.31,-7.34,;-2.31,.67,;-1.54,2,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnccc1C(F)(F)F |r,wU:3.2,wD:6.9,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;,4.67,;.77,3.33,;,2,;2.31,3.33,;1.54,2,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(c1)C(O)=O |r,wU:3.2,wD:6.9,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;,4.67,;2.31,6,;3.08,4.67,;3.08,7.34,)|
COc1cnccc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:20.24,wD:17.17,(2.31,3.33,;.77,3.33,;,4.67,;.77,6,;,7.34,;-1.54,7.34,;-2.31,6,;-1.54,4.67,;-2.31,3.33,;-3.85,3.33,;-4.62,2,;-3.85,.67,;-4.62,-.67,;-3.85,-2,;-2.31,-2,;-1.54,-.67,;,-.67,;.77,-2,;,-3.33,;.77,-4.67,;2.31,-4.67,;3.08,-3.33,;2.31,-2,;3.08,-6,;4.62,-6,;2.31,-7.34,;-2.31,.67,;-1.54,2,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cccnc1C#N |r,wU:3.2,wD:6.9,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;,4.67,;.77,3.33,;1.54,2,)|
COCCOc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:23.27,wD:20.20,(-5.78,9.34,;-5,8,;-3.47,8,;-2.69,6.67,;-1.15,6.67,;-.38,5.33,;1.16,5.33,;1.93,4,;1.16,2.67,;-.38,2.67,;-1.15,4,;-1.15,1.33,;-2.69,1.33,;-3.46,,;-2.69,-1.33,;-3.46,-2.67,;-2.69,-4,;-1.15,-4,;-.38,-2.67,;1.16,-2.67,;1.93,-4,;1.16,-5.33,;1.93,-6.67,;3.47,-6.67,;4.24,-5.33,;3.47,-4,;4.24,-8,;5.78,-8,;3.47,-9.34,;-1.15,-1.33,;-.38,,)|
CSc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:20.24,wD:17.17,(-1.54,8.67,;-2.31,7.34,;-1.54,6,;,6,;.77,4.67,;,3.33,;-1.54,3.33,;-2.31,4.67,;-2.31,2,;-3.85,2,;-4.62,.67,;-3.85,-.67,;-4.62,-2,;-3.85,-3.33,;-2.31,-3.33,;-1.54,-2,;,-2,;.77,-3.33,;,-4.67,;.77,-6,;2.31,-6,;3.08,-4.67,;2.31,-3.33,;3.08,-7.34,;4.62,-7.34,;2.31,-8.67,;-2.31,-.67,;-1.54,.67,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc(NC2CC2)nc1 |r,wU:3.2,wD:6.9,(4.62,-8.11,;3.08,-8.11,;2.31,-9.44,;2.31,-6.77,;.77,-6.77,;,-5.44,;.77,-4.1,;2.31,-4.1,;3.08,-5.44,;,-2.77,;-1.54,-2.77,;-2.31,-4.1,;-3.85,-4.1,;-4.62,-2.77,;-3.85,-1.44,;-4.62,-.1,;-3.85,1.23,;-2.31,1.23,;-1.54,-.1,;-2.31,-1.44,;-1.54,2.56,;,2.56,;.77,3.9,;,5.23,;.77,6.57,;,7.9,;,9.44,;-1.33,8.67,;-1.54,5.23,;-2.31,3.9,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc(NCCO)nc1 |r,wU:3.2,wD:6.9,(4.62,-8.67,;3.08,-8.67,;2.31,-10,;2.31,-7.34,;.77,-7.34,;,-6,;.77,-4.67,;2.31,-4.67,;3.08,-6,;,-3.33,;-1.54,-3.33,;-2.31,-4.67,;-3.85,-4.67,;-4.62,-3.33,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-2.31,.67,;-1.54,-.67,;-2.31,-2,;-1.54,2,;,2,;.77,3.33,;,4.67,;.77,6,;,7.34,;.77,8.67,;,10,;-1.54,4.67,;-2.31,3.33,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cccc(c1)C#N |r,wU:3.2,wD:6.9,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;,4.67,;2.31,6,;3.85,6,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1ccc2[nH]ccc2c1 |r,wU:3.2,wD:6.9,(4.62,-6.57,;3.08,-6.57,;2.31,-7.91,;2.31,-5.24,;.77,-5.24,;,-3.91,;.77,-2.57,;2.31,-2.57,;3.08,-3.91,;,-1.24,;-1.54,-1.24,;-2.31,-2.57,;-3.85,-2.57,;-4.62,-1.24,;-3.85,.09,;-4.62,1.43,;-3.85,2.76,;-2.31,2.76,;-1.54,1.43,;-2.31,.09,;-1.54,4.1,;-2.31,5.43,;-1.54,6.76,;,6.76,;1.03,7.91,;2.44,7.28,;2.28,5.75,;.77,5.43,;,4.1,)|
C1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cccnc1 |r,wU:9.13,wD:6.6,(2.69,-8,;1.92,-6.67,;2.69,-5.33,;4.23,-5.33,;5.01,-6.67,;4.23,-8,;1.92,-4,;2.69,-2.67,;1.92,-1.33,;.38,-1.33,;-.39,-2.67,;.38,-4,;-.39,,;-1.93,,;-2.7,-1.33,;-4.24,-1.33,;-5.01,,;-4.24,1.33,;-5.01,2.67,;-4.24,4,;-2.7,4,;-1.93,2.67,;-2.7,1.33,;-1.93,5.33,;-.39,5.33,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,)|
C1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncnc1 |r,wU:9.13,wD:6.6,(2.69,-8,;1.92,-6.67,;2.69,-5.33,;4.23,-5.33,;5.01,-6.67,;4.23,-8,;1.92,-4,;2.69,-2.67,;1.92,-1.33,;.38,-1.33,;-.39,-2.67,;.38,-4,;-.39,,;-1.93,,;-2.7,-1.33,;-4.24,-1.33,;-5.01,,;-4.24,1.33,;-5.01,2.67,;-4.24,4,;-2.7,4,;-1.93,2.67,;-2.7,1.33,;-1.93,5.33,;-.39,5.33,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,)|
C1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1ccncc1 |r,wU:9.13,wD:6.6,(2.69,-8,;1.92,-6.67,;2.69,-5.33,;4.23,-5.33,;5.01,-6.67,;4.23,-8,;1.92,-4,;2.69,-2.67,;1.92,-1.33,;.38,-1.33,;-.39,-2.67,;.38,-4,;-.39,,;-1.93,,;-2.7,-1.33,;-4.24,-1.33,;-5.01,,;-4.24,1.33,;-5.01,2.67,;-4.24,4,;-2.7,4,;-1.93,2.67,;-2.7,1.33,;-1.93,5.33,;-.39,5.33,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1ccc2OCCOc2c1 |r,wU:6.9,wD:3.2,(4.62,-7.34,;3.08,-7.34,;2.31,-8.67,;2.31,-6,;3.08,-4.67,;2.31,-3.33,;.77,-3.33,;,-4.67,;.77,-6,;,-2,;-1.54,-2,;-2.31,-3.33,;-3.85,-3.33,;-4.62,-2,;-3.85,-.67,;-4.62,.67,;-3.85,2,;-2.31,2,;-1.54,.67,;-2.31,-.67,;-1.54,3.33,;,3.33,;.77,4.67,;,6,;.77,7.34,;,8.67,;-1.54,8.67,;-2.31,7.34,;-1.54,6,;-2.31,4.67,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1ccnnc1 |r,wU:6.9,wD:3.2,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;3.08,-3.33,;2.31,-2,;.77,-2,;,-3.33,;.77,-4.67,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;,4.67,)|
COc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:20.24,wD:17.17,(3.08,7.34,;2.31,6,;.77,6,;,7.34,;-1.54,7.34,;-2.31,6,;-1.54,4.67,;,4.67,;-2.31,3.33,;-3.85,3.33,;-4.62,2,;-3.85,.67,;-4.62,-.67,;-3.85,-2,;-2.31,-2,;-1.54,-.67,;,-.67,;.77,-2,;,-3.33,;.77,-4.67,;2.31,-4.67,;3.08,-3.33,;2.31,-2,;3.08,-6,;4.62,-6,;2.31,-7.34,;-2.31,.67,;-1.54,2,)|
COc1ncc(cc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:21.25,wD:18.18,(,8.67,;.77,7.34,;,6,;-1.54,6,;-2.31,4.67,;-1.54,3.33,;,3.33,;.77,4.67,;2.31,4.67,;-2.31,2,;-3.85,2,;-4.62,.67,;-3.85,-.67,;-4.62,-2,;-3.85,-3.33,;-2.31,-3.33,;-1.54,-2,;,-2,;.77,-3.33,;,-4.67,;.77,-6,;2.31,-6,;3.08,-4.67,;2.31,-3.33,;3.08,-7.34,;4.62,-7.34,;2.31,-8.67,;-2.31,-.67,;-1.54,.67,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(F)c1 |r,wU:3.2,wD:6.9,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;2.31,6,;,4.67,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(c1)C#N |r,wU:3.2,wD:6.9,(4.62,-6,;3.08,-6,;2.31,-7.34,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;,4.67,;2.31,6,;3.85,6,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc2[nH]ccc2c1 |r,wU:3.2,wD:6.9,(4.62,-7.19,;3.08,-7.19,;2.31,-8.52,;2.31,-5.85,;.77,-5.85,;,-4.52,;.77,-3.19,;2.31,-3.19,;3.08,-4.52,;,-1.85,;-1.54,-1.85,;-2.31,-3.19,;-3.85,-3.19,;-4.62,-1.85,;-3.85,-.52,;-4.62,.82,;-3.85,2.15,;-2.31,2.15,;-1.54,.82,;-2.31,-.52,;-1.54,3.48,;,3.48,;.77,4.82,;,6.15,;.48,7.61,;-.77,8.52,;-2.02,7.61,;-1.54,6.15,;-2.31,4.82,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(c1)C(=O)NC(C)(C)C |r,wU:3.2,wD:6.9,(4.62,-8.67,;3.08,-8.67,;2.31,-10,;2.31,-7.34,;.77,-7.34,;,-6,;.77,-4.67,;2.31,-4.67,;3.08,-6,;,-3.33,;-1.54,-3.33,;-2.31,-4.67,;-3.85,-4.67,;-4.62,-3.33,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-2.31,.67,;-1.54,-.67,;-2.31,-2,;-1.54,2,;,2,;.77,3.33,;,4.67,;-1.54,4.67,;-2.31,3.33,;-2.31,6,;-3.85,6,;-1.54,7.34,;-2.31,8.67,;-1.54,10,;-3.85,8.67,;-3.08,10,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc2N(C)CCOc2c1 |r,wU:3.2,wD:6.9,(4.62,-7.34,;3.08,-7.34,;2.31,-8.67,;2.31,-6,;.77,-6,;,-4.67,;.77,-3.33,;2.31,-3.33,;3.08,-4.67,;,-2,;-1.54,-2,;-2.31,-3.33,;-3.85,-3.33,;-4.62,-2,;-3.85,-.67,;-4.62,.67,;-3.85,2,;-2.31,2,;-1.54,.67,;-2.31,-.67,;-1.54,3.33,;-2.31,4.67,;-1.54,6,;,6,;.77,7.34,;,8.67,;2.31,7.34,;3.08,6,;2.31,4.67,;.77,4.67,;,3.33,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc(N)c(C=N)c1 |r,wU:3.2,wD:6.9,(4.62,-6.57,;3.08,-6.57,;2.31,-7.91,;2.31,-5.24,;.77,-5.24,;,-3.91,;.77,-2.57,;2.31,-2.57,;3.08,-3.91,;,-1.24,;-1.54,-1.24,;-2.31,-2.57,;-3.85,-2.57,;-4.62,-1.24,;-3.85,.09,;-4.62,1.43,;-3.85,2.76,;-2.31,2.76,;-1.54,1.43,;-2.31,.09,;-1.54,4.1,;-2.31,5.43,;-1.54,6.76,;,6.76,;1.03,7.91,;.77,5.43,;2.28,5.75,;2.44,7.28,;,4.1,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc2cc[nH]c2c1 |r,wU:3.2,wD:6.9,(4.62,-7.19,;3.08,-7.19,;2.31,-8.52,;2.31,-5.85,;.77,-5.85,;,-4.52,;.77,-3.19,;2.31,-3.19,;3.08,-4.52,;,-1.85,;-1.54,-1.85,;-2.31,-3.19,;-3.85,-3.19,;-4.62,-1.85,;-3.85,-.52,;-4.62,.82,;-3.85,2.15,;-2.31,2.15,;-1.54,.82,;-2.31,-.52,;-1.54,3.48,;,3.48,;.77,4.82,;,6.15,;.48,7.61,;-.77,8.52,;-2.02,7.61,;-1.54,6.15,;-2.31,4.82,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc2n(C)cnc2c1 |r,wU:3.2,wD:6.9,(4.62,-7.19,;3.08,-7.19,;2.31,-8.52,;2.31,-5.85,;.77,-5.85,;,-4.52,;.77,-3.19,;2.31,-3.19,;3.08,-4.52,;,-1.85,;-1.54,-1.85,;-2.31,-3.19,;-3.85,-3.19,;-4.62,-1.85,;-3.85,-.52,;-4.62,.82,;-3.85,2.15,;-2.31,2.15,;-1.54,.82,;-2.31,-.52,;-1.54,3.48,;,3.48,;.77,4.82,;,6.15,;.48,7.61,;1.81,8.38,;-.77,8.52,;-2.02,7.61,;-1.54,6.15,;-2.31,4.82,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc2ccoc2c1 |r,wU:3.2,wD:6.9,(4.62,-7.19,;3.08,-7.19,;2.31,-8.52,;2.31,-5.85,;.77,-5.85,;,-4.52,;.77,-3.19,;2.31,-3.19,;3.08,-4.52,;,-1.85,;-1.54,-1.85,;-2.31,-3.19,;-3.85,-3.19,;-4.62,-1.85,;-3.85,-.52,;-4.62,.82,;-3.85,2.15,;-2.31,2.15,;-1.54,.82,;-2.31,-.52,;-1.54,3.48,;,3.48,;.77,4.82,;,6.15,;.48,7.61,;-.77,8.52,;-2.02,7.61,;-1.54,6.15,;-2.31,4.82,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cc(F)cc(F)c1 |r,wU:3.2,wD:6.9,(4.62,-6.67,;3.08,-6.67,;2.31,-8,;2.31,-5.33,;.77,-5.33,;,-4,;.77,-2.67,;2.31,-2.67,;3.08,-4,;,-1.33,;-1.54,-1.33,;-2.31,-2.67,;-3.85,-2.67,;-4.62,-1.33,;-3.85,,;-4.62,1.33,;-3.85,2.67,;-2.31,2.67,;-1.54,1.33,;-2.31,,;-1.54,4,;,4,;.77,5.33,;2.31,5.33,;,6.67,;-1.54,6.67,;-2.31,8,;-2.31,5.33,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cc(O)cc(F)c1 |r,wU:3.2,wD:6.9,(4.62,-6.67,;3.08,-6.67,;2.31,-8,;2.31,-5.33,;.77,-5.33,;,-4,;.77,-2.67,;2.31,-2.67,;3.08,-4,;,-1.33,;-1.54,-1.33,;-2.31,-2.67,;-3.85,-2.67,;-4.62,-1.33,;-3.85,,;-4.62,1.33,;-3.85,2.67,;-2.31,2.67,;-1.54,1.33,;-2.31,,;-1.54,4,;-2.31,5.33,;-1.54,6.67,;-2.31,8,;,6.67,;.77,5.33,;2.31,5.33,;,4,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cc(O)c(F)c(F)c1 |r,wU:3.2,wD:6.9,(4.62,-6.67,;3.08,-6.67,;2.31,-8,;2.31,-5.33,;.77,-5.33,;,-4,;.77,-2.67,;2.31,-2.67,;3.08,-4,;,-1.33,;-1.54,-1.33,;-2.31,-2.67,;-3.85,-2.67,;-4.62,-1.33,;-3.85,,;-4.62,1.33,;-3.85,2.67,;-2.31,2.67,;-1.54,1.33,;-2.31,,;-1.54,4,;-2.31,5.33,;-1.54,6.67,;-2.31,8,;,6.67,;.77,8,;.77,5.33,;2.31,5.33,;,4,)|
Oc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(1.92,6.67,;.39,6.67,;-.38,8,;-1.92,8,;-2.69,6.67,;-1.92,5.33,;-.38,5.33,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.92,,;-.38,,;.39,-1.33,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;.39,-4,;-.38,-2.67,;2.7,-5.33,;1.92,-6.67,;2.7,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.92,2.67,)|
Oc1cc(F)cc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.17,wD:20.24,(1.92,6,;.39,6,;-.38,7.34,;-1.92,7.34,;-2.69,8.67,;-2.69,6,;-1.92,4.67,;-.38,4.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.92,-.67,;-.38,-.67,;.39,-2,;1.93,-2,;2.7,-3.33,;1.93,-4.67,;.39,-4.67,;-.38,-3.33,;2.7,-6,;1.92,-7.34,;2.7,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.92,2,)|
Oc1cc(ccn1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(1.92,6.67,;.39,6.67,;-.38,5.33,;-1.92,5.33,;-2.69,6.67,;-1.92,8,;-.38,8,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.92,,;-.38,,;.39,-1.33,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;.39,-4,;-.38,-2.67,;2.7,-5.33,;1.92,-6.67,;2.7,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.92,2.67,)|
Fc1cc(F)cc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.17,wD:20.24,(1.92,6,;.39,6,;-.38,7.34,;-1.92,7.34,;-2.69,8.67,;-2.69,6,;-1.92,4.67,;-.38,4.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.92,-.67,;-.38,-.67,;.39,-2,;1.93,-2,;2.7,-3.33,;1.93,-4.67,;.39,-4.67,;-.38,-3.33,;2.7,-6,;1.92,-7.34,;2.7,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.92,2,)|
COc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.17,wD:20.24,(-4.23,8.67,;-2.69,8.67,;-1.92,7.34,;-.38,7.34,;.39,6,;-.38,4.67,;-1.92,4.67,;-2.69,6,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.92,-.67,;-.38,-.67,;.39,-2,;1.93,-2,;2.7,-3.33,;1.93,-4.67,;.39,-4.67,;-.38,-3.33,;2.7,-6,;1.92,-7.34,;2.7,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.92,2,)|
Oc1cc(cc(F)c1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:18.18,wD:21.25,(-2.7,8.67,;-1.93,7.34,;-2.7,6,;-1.93,4.67,;-.39,4.67,;.38,6,;1.92,6,;-.39,7.34,;.38,8.67,;-2.7,3.33,;-4.24,3.33,;-5.01,2,;-4.24,.67,;-5.01,-.67,;-4.24,-2,;-2.7,-2,;-1.93,-.67,;-.39,-.67,;.38,-2,;1.92,-2,;2.69,-3.33,;1.92,-4.67,;.38,-4.67,;-.39,-3.33,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5.01,-7.34,;4.23,-6,;-2.7,.67,;-1.93,2,)|
COc1ncc(cc1N)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:18.18,wD:21.25,(1.92,8.67,;.38,8.67,;-.39,7.34,;.38,6,;-.39,4.67,;-1.93,4.67,;-2.7,6,;-1.93,7.34,;-2.7,8.67,;-2.7,3.33,;-4.24,3.33,;-5.01,2,;-4.24,.67,;-5.01,-.67,;-4.24,-2,;-2.7,-2,;-1.93,-.67,;-.39,-.67,;.38,-2,;1.92,-2,;2.69,-3.33,;1.92,-4.67,;.38,-4.67,;-.39,-3.33,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5.01,-7.34,;4.23,-6,;-2.7,.67,;-1.93,2,)|
Oc1cccc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(-2.7,8.67,;-1.93,7.34,;-.39,7.34,;.38,6,;-.39,4.67,;-1.93,4.67,;-2.7,6,;-2.7,3.33,;-4.24,3.33,;-5.01,2,;-4.24,.67,;-5.01,-.67,;-4.24,-2,;-2.7,-2,;-1.93,-.67,;-.39,-.67,;.38,-2,;1.92,-2,;2.69,-3.33,;1.92,-4.67,;.38,-4.67,;-.39,-3.33,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5.01,-7.34,;4.23,-6,;-2.7,.67,;-1.93,2,)|
Nc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(-2.7,8.67,;-1.93,7.34,;-.39,7.34,;.38,6,;-.39,4.67,;-1.93,4.67,;-2.7,6,;-2.7,3.33,;-4.24,3.33,;-5.01,2,;-4.24,.67,;-5.01,-.67,;-4.24,-2,;-2.7,-2,;-1.93,-.67,;-.39,-.67,;.38,-2,;1.92,-2,;2.69,-3.33,;1.92,-4.67,;.38,-4.67,;-.39,-3.33,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5.01,-7.34,;4.23,-6,;-2.7,.67,;-1.93,2,)|
Nc1cc(ccn1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(-2.7,8.67,;-1.93,7.34,;-2.7,6,;-1.93,4.67,;-.39,4.67,;.38,6,;-.39,7.34,;-2.7,3.33,;-4.24,3.33,;-5.01,2,;-4.24,.67,;-5.01,-.67,;-4.24,-2,;-2.7,-2,;-1.93,-.67,;-.39,-.67,;.38,-2,;1.92,-2,;2.69,-3.33,;1.92,-4.67,;.38,-4.67,;-.39,-3.33,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5.01,-7.34,;4.23,-6,;-2.7,.67,;-1.93,2,)|
Cn1cc(cn1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:15.15,wD:18.22,(-1.16,8.62,;-1.16,7.08,;-2.4,6.18,;-1.93,4.71,;-.39,4.71,;.09,6.18,;-2.7,3.38,;-4.24,3.38,;-5.01,2.05,;-4.24,.71,;-5.01,-.62,;-4.24,-1.95,;-2.7,-1.95,;-1.93,-.62,;-.39,-.62,;.38,-1.95,;1.92,-1.95,;2.69,-3.29,;1.92,-4.62,;.38,-4.62,;-.39,-3.29,;2.69,-5.96,;1.92,-7.29,;2.69,-8.62,;4.23,-8.62,;5.01,-7.29,;4.23,-5.96,;-2.7,.71,;-1.93,2.05,)|
Cc1c(ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12)-c1cncnc1 |r,wU:11.10,wD:14.17,(-.39,2.67,;-1.93,2.67,;-2.7,4,;-4.24,4,;-5.01,2.67,;-4.24,1.33,;-5.01,,;-4.24,-1.33,;-2.7,-1.33,;-1.93,,;-.39,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,1.33,;-1.93,5.33,;-.39,5.33,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,)|
CN\C=C(/C=N)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1C |r,wU:15.14,wD:18.21,(1.42,7.72,;.09,6.95,;-.39,5.48,;-1.93,5.48,;-2.4,6.95,;-1.16,7.85,;-2.7,4.15,;-4.24,4.15,;-5.01,2.82,;-4.24,1.48,;-5.01,.15,;-4.24,-1.18,;-2.7,-1.18,;-1.93,.15,;-.39,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5.01,-6.52,;4.23,-5.19,;-2.7,1.48,;-1.93,2.82,;-.39,2.82,)|
Cc1c(ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12)-c1ccncc1 |r,wU:11.10,wD:14.17,(-.39,2.67,;-1.93,2.67,;-2.7,4,;-4.24,4,;-5.01,2.67,;-4.24,1.33,;-5.01,,;-4.24,-1.33,;-2.7,-1.33,;-1.93,,;-.39,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,1.33,;-1.93,5.33,;-.39,5.33,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,)|
Cc1c(ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12)-c1cncc(O)c1 |r,wU:11.10,wD:14.17,(-.39,2.67,;-1.93,2.67,;-2.7,4,;-4.24,4,;-5.01,2.67,;-4.24,1.33,;-5.01,,;-4.24,-1.33,;-2.7,-1.33,;-1.93,,;-.39,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,1.33,;-1.93,5.33,;-2.7,6.67,;-1.93,8,;-.39,8,;.38,6.67,;1.92,6.67,;-.39,5.33,)|
N\C=C(/C=N)c1cc2c(N[C@H]3CC[C@@H](CC3)N3CCOCC3)ncnc2cc1F |r,wU:10.9,wD:13.16,(-1.16,7.85,;-2.4,6.95,;-1.93,5.48,;-.39,5.48,;.09,6.95,;-2.7,4.15,;-1.93,2.82,;-2.7,1.48,;-1.93,.15,;-.39,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5.01,-6.52,;4.23,-5.19,;-2.7,-1.18,;-4.24,-1.18,;-5.01,.15,;-4.24,1.48,;-5.01,2.82,;-4.24,4.15,;-5.01,5.48,)|
CNc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.17,wD:20.24,(2.7,5.33,;1.92,6.67,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,;-1.93,5.33,;-.39,5.33,;-2.7,4,;-4.24,4,;-5.01,2.67,;-4.24,1.33,;-5.01,,;-4.24,-1.33,;-2.7,-1.33,;-1.93,,;-.39,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,1.33,;-1.93,2.67,)|
N\C=C(/C=N)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:14.13,wD:17.20,(-1.16,7.85,;-2.4,6.95,;-1.93,5.48,;-.39,5.48,;.09,6.95,;-2.7,4.15,;-4.24,4.15,;-5.01,2.82,;-4.24,1.48,;-5.01,.15,;-4.24,-1.18,;-2.7,-1.18,;-1.93,.15,;-.39,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5.01,-6.52,;4.23,-5.19,;-2.7,1.48,;-1.93,2.82,)|
Nc1cccc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(-2.7,8.67,;-1.93,7.34,;-.39,7.34,;.38,6,;-.39,4.67,;-1.93,4.67,;-2.7,6,;-2.7,3.33,;-4.24,3.33,;-5.01,2,;-4.24,.67,;-5.01,-.67,;-4.24,-2,;-2.7,-2,;-1.93,-.67,;-.39,-.67,;.38,-2,;1.92,-2,;2.69,-3.33,;1.92,-4.67,;.38,-4.67,;-.39,-3.33,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5.01,-7.34,;4.23,-6,;-2.7,.67,;-1.93,2,)|
Oc1cncc(c1)-c1cc2c(N[C@H]3CC[C@@H](CC3)N3CCOCC3)ncnc2cc1F |r,wU:12.12,wD:15.19,(1.92,6.67,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,;-1.93,5.33,;-.39,5.33,;-2.7,4,;-1.93,2.67,;-2.7,1.33,;-1.93,,;-.39,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,-1.33,;-4.24,-1.33,;-5.01,,;-4.24,1.33,;-5.01,2.67,;-4.24,4,;-5.01,5.33,)|
Nc1cncc(c1)-c1cc2c(N[C@H]3CC[C@@H](CC3)N3CCOCC3)ncnc2cc1F |r,wU:12.12,wD:15.19,(1.92,6.67,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,;-1.93,5.33,;-.39,5.33,;-2.7,4,;-1.93,2.67,;-2.7,1.33,;-1.93,,;-.39,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,-1.33,;-4.24,-1.33,;-5.01,,;-4.24,1.33,;-5.01,2.67,;-4.24,4,;-5.01,5.33,)|
CNc1cncc(c1)-c1cc2c(N[C@H]3CC[C@@H](CC3)N3CCOCC3)ncnc2cc1F |r,wU:13.13,wD:16.20,(2.69,8,;1.92,6.67,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,;-1.93,5.33,;-.39,5.33,;-2.7,4,;-1.93,2.67,;-2.7,1.33,;-1.93,,;-.39,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,-1.33,;-4.24,-1.33,;-5.01,,;-4.24,1.33,;-5.01,2.67,;-4.24,4,;-5.01,5.33,)|
Fc1cc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2cc1-c1cncnc1 |r,wU:9.8,wD:12.15,(-5.01,5.33,;-4.24,4,;-5.01,2.67,;-4.24,1.33,;-5.01,,;-4.24,-1.33,;-2.7,-1.33,;-1.93,,;-.39,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,1.33,;-1.93,2.67,;-2.7,4,;-1.93,5.33,;-.39,5.33,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,)|
C1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cccc2[nH]ccc12 |r,wU:6.6,wD:9.13,(2.69,-8.57,;1.92,-7.24,;2.69,-5.91,;4.23,-5.91,;5.01,-7.24,;4.23,-8.57,;1.92,-4.57,;.38,-4.57,;-.39,-3.24,;.38,-1.91,;1.92,-1.91,;2.69,-3.24,;-.39,-.57,;-1.93,-.57,;-2.7,-1.91,;-4.24,-1.91,;-5.01,-.57,;-4.24,.76,;-5.01,2.1,;-4.24,3.43,;-2.7,3.43,;-1.93,2.1,;-2.7,.76,;-1.93,4.76,;-.39,4.76,;.38,6.1,;-.39,7.43,;-1.93,7.43,;-2.96,8.57,;-4.36,7.95,;-4.2,6.42,;-2.7,6.1,)|
Cc1ncc(cn1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(.38,8.67,;-.39,7.34,;.38,6,;-.39,4.67,;-1.93,4.67,;-2.7,6,;-1.93,7.34,;-2.7,3.33,;-4.24,3.33,;-5.01,2,;-4.24,.67,;-5.01,-.67,;-4.24,-2,;-2.7,-2,;-1.93,-.67,;-.39,-.67,;.38,-2,;1.92,-2,;2.69,-3.33,;1.92,-4.67,;.38,-4.67,;-.39,-3.33,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5.01,-7.34,;4.23,-6,;-2.7,.67,;-1.93,2,)|
FC(F)(F)c1ncc(cn1)-c1ccc2ncnc(N[C@H]3CC[C@H](CC3)N3CCOCC3)c2c1 |r,wU:19.19,22.26,(-.39,9.34,;.38,8,;1.92,8,;1.15,9.34,;-.39,6.67,;.38,5.33,;-.39,4,;-1.93,4,;-2.7,5.33,;-1.93,6.67,;-2.7,2.67,;-4.24,2.67,;-5.01,1.33,;-4.24,,;-5.01,-1.33,;-4.24,-2.67,;-2.7,-2.67,;-1.93,-1.33,;-.39,-1.33,;.38,-2.67,;1.92,-2.67,;2.69,-4,;1.92,-5.33,;.38,-5.33,;-.39,-4,;2.69,-6.67,;1.92,-8,;2.69,-9.34,;4.23,-9.34,;5.01,-8,;4.23,-6.67,;-2.7,,;-1.93,1.33,)|
N\C=C/C(=N)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:14.13,wD:17.20,(.09,6.95,;-1.16,7.85,;-2.4,6.95,;-1.93,5.48,;-.39,5.48,;-2.7,4.15,;-4.24,4.15,;-5.01,2.82,;-4.24,1.48,;-5.01,.15,;-4.24,-1.18,;-2.7,-1.18,;-1.93,.15,;-.39,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5.01,-6.52,;4.23,-5.19,;-2.7,1.48,;-1.93,2.82,)|
CSNc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:21.25,wD:18.18,(4.23,5.33,;2.69,5.33,;1.92,6.67,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,;-1.93,5.33,;-.39,5.33,;-2.7,4,;-4.24,4,;-5.01,2.67,;-4.24,1.33,;-5.01,,;-4.24,-1.33,;-2.7,-1.33,;-1.93,,;-.39,,;.38,-1.33,;-.39,-2.67,;.38,-4,;1.92,-4,;2.69,-2.67,;1.92,-1.33,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,1.33,;-1.93,2.67,)|
Cc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:19.23,wD:16.16,(1.92,6.67,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,;-1.93,5.33,;-.39,5.33,;-2.7,4,;-4.24,4,;-5.01,2.67,;-4.24,1.33,;-5.01,,;-4.24,-1.33,;-2.7,-1.33,;-1.93,,;-.39,,;.38,-1.33,;-.39,-2.67,;.38,-4,;1.92,-4,;2.69,-2.67,;1.92,-1.33,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,1.33,;-1.93,2.67,)|
OCc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(2.7,5.33,;1.92,6.67,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,;-1.93,5.33,;-.39,5.33,;-2.7,4,;-4.24,4,;-5.01,2.67,;-4.24,1.33,;-5.01,,;-4.24,-1.33,;-2.7,-1.33,;-1.93,,;-.39,,;.38,-1.33,;-.39,-2.67,;.38,-4,;1.92,-4,;2.69,-2.67,;1.92,-1.33,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,1.33,;-1.93,2.67,)|
CC(C)(O)c1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:22.26,wD:19.19,(1.53,8.08,;1.92,6.59,;3.41,6.99,;2.7,5.26,;.38,6.59,;-.39,7.93,;-1.93,7.93,;-2.7,6.59,;-1.93,5.26,;-.39,5.26,;-2.7,3.92,;-4.24,3.92,;-5.01,2.59,;-4.24,1.26,;-5.01,-.08,;-4.24,-1.41,;-2.7,-1.41,;-1.93,-.08,;-.39,-.08,;.38,-1.41,;-.39,-2.74,;.38,-4.08,;1.92,-4.08,;2.69,-2.74,;1.92,-1.41,;2.69,-5.41,;1.92,-6.75,;2.69,-8.08,;4.23,-8.08,;5.01,-6.75,;4.23,-5.41,;-2.7,1.26,;-1.93,2.59,)|
O\C=C(/C=N)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.20,wD:14.13,(-1.16,7.85,;-2.4,6.95,;-1.93,5.48,;-.39,5.48,;.09,6.95,;-2.7,4.15,;-4.24,4.15,;-5.01,2.82,;-4.24,1.48,;-5.01,.15,;-4.24,-1.18,;-2.7,-1.18,;-1.93,.15,;-.39,.15,;.38,-1.18,;-.39,-2.52,;.38,-3.85,;1.92,-3.85,;2.69,-2.52,;1.92,-1.18,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5.01,-6.52,;4.23,-5.19,;-2.7,1.48,;-1.93,2.82,)|
Fc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(1.92,6.67,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,;-1.93,5.33,;-.39,5.33,;-2.7,4,;-4.24,4,;-5.01,2.67,;-4.24,1.33,;-5.01,,;-4.24,-1.33,;-2.7,-1.33,;-1.93,,;-.39,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,1.33,;-1.93,2.67,)|
N#Cc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.17,wD:20.24,(3.46,6.67,;1.92,6.67,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,;-1.93,5.33,;-.39,5.33,;-2.7,4,;-4.24,4,;-5.01,2.67,;-4.24,1.33,;-5.01,,;-4.24,-1.33,;-2.7,-1.33,;-1.93,,;-.39,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,1.33,;-1.93,2.67,)|
Clc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(1.92,6.67,;.38,6.67,;-.39,8,;-1.93,8,;-2.7,6.67,;-1.93,5.33,;-.39,5.33,;-2.7,4,;-4.24,4,;-5.01,2.67,;-4.24,1.33,;-5.01,,;-4.24,-1.33,;-2.7,-1.33,;-1.93,,;-.39,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.7,1.33,;-1.93,2.67,)|
Oc1cc(cnc1Cl)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.17,wD:20.24,(-2.7,8.67,;-1.93,7.34,;-2.7,6,;-1.93,4.67,;-.39,4.67,;.38,6,;-.39,7.34,;.38,8.67,;-2.7,3.33,;-4.24,3.33,;-5.01,2,;-4.24,.67,;-5.01,-.67,;-4.24,-2,;-2.7,-2,;-1.93,-.67,;-.39,-.67,;.38,-2,;1.92,-2,;2.69,-3.33,;1.92,-4.67,;.38,-4.67,;-.39,-3.33,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5.01,-7.34,;4.23,-6,;-2.7,.67,;-1.93,2,)|
CCOC(=O)c1cn(C)nc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.20,wD:23.27,(-5.59,9.29,;-5.19,7.8,;-3.7,7.4,;-3.3,5.91,;-4.39,4.82,;-1.82,5.51,;-.57,6.42,;.67,5.51,;2.01,6.28,;.2,4.05,;-1.34,4.05,;-2.11,2.72,;-3.65,2.72,;-4.42,1.38,;-3.65,.05,;-4.42,-1.28,;-3.65,-2.62,;-2.11,-2.62,;-1.34,-1.28,;.2,-1.28,;.97,-2.62,;2.51,-2.62,;3.28,-3.95,;2.51,-5.29,;.97,-5.29,;.2,-3.95,;3.28,-6.62,;2.51,-7.95,;3.28,-9.29,;4.82,-9.29,;5.59,-7.95,;4.82,-6.62,;-2.11,.05,;-1.34,1.38,)|
Cc1nc(cs1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:15.15,wD:18.22,(-1.15,8.62,;-1.15,7.08,;-2.4,6.18,;-1.93,4.71,;-.38,4.71,;.09,6.18,;-2.69,3.38,;-4.23,3.38,;-5,2.05,;-4.23,.71,;-5,-.62,;-4.23,-1.95,;-2.69,-1.95,;-1.93,-.62,;-.38,-.62,;.38,-1.95,;1.93,-1.95,;2.69,-3.29,;1.93,-4.62,;.38,-4.62,;-.38,-3.29,;2.69,-5.96,;1.93,-7.29,;2.69,-8.62,;4.23,-8.62,;5,-7.29,;4.23,-5.96,;-2.69,.71,;-1.93,2.05,)|
CC(C)c1nc(cs1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.17,wD:20.24,(-2.49,9.01,;-1.15,8.24,;.18,9.01,;-1.15,6.7,;-2.4,5.79,;-1.93,4.33,;-.38,4.33,;.09,5.79,;-2.69,2.99,;-4.23,2.99,;-5,1.66,;-4.23,.33,;-5,-1.01,;-4.23,-2.34,;-2.69,-2.34,;-1.93,-1.01,;-.38,-1.01,;.38,-2.34,;1.92,-2.34,;2.69,-3.67,;1.92,-5.01,;.38,-5.01,;-.39,-3.67,;2.69,-6.34,;1.92,-7.67,;2.69,-9.01,;4.23,-9.01,;5,-7.67,;4.23,-6.34,;-2.69,.33,;-1.93,1.66,)|
FC(F)(F)c1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:19.19,wD:22.26,(-1.93,9.34,;-2.69,8,;-4.23,8,;-1.15,8,;-1.93,6.67,;-.38,6.67,;.38,5.33,;-.38,4,;-1.93,4,;-2.69,5.33,;-2.69,2.67,;-4.23,2.67,;-5,1.33,;-4.23,,;-5,-1.33,;-4.23,-2.67,;-2.69,-2.67,;-1.93,-1.33,;-.38,-1.33,;.38,-2.67,;1.92,-2.67,;2.69,-4,;1.92,-5.33,;.38,-5.33,;-.39,-4,;2.69,-6.67,;1.92,-8,;2.69,-9.34,;4.23,-9.34,;5,-8,;4.23,-6.67,;-2.69,,;-1.93,1.33,)|
Oc1ncc(cc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1)C(F)(F)F |r,wU:16.16,wD:19.23,(.38,2.67,;-.38,4,;.38,5.33,;-.38,6.67,;-1.93,6.67,;-2.69,5.33,;-1.93,4,;-2.69,2.67,;-4.23,2.67,;-5,1.33,;-4.23,,;-5,-1.33,;-4.23,-2.67,;-2.69,-2.67,;-1.93,-1.33,;-.38,-1.33,;.38,-2.67,;1.92,-2.67,;2.69,-4,;1.92,-5.33,;.38,-5.33,;-.39,-4,;2.69,-6.67,;1.92,-8,;2.69,-9.34,;4.23,-9.34,;5,-8,;4.23,-6.67,;-2.69,,;-1.93,1.33,;-2.69,8,;-1.93,9.34,;-4.23,8,;-1.15,8,)|
Oc1cc(cnc1Cl)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.17,wD:20.24,(-2.69,8.67,;-1.93,7.34,;-2.69,6,;-1.93,4.67,;-.38,4.67,;.38,6,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;1.92,-2,;2.69,-3.33,;1.92,-4.67,;.38,-4.67,;-.39,-3.33,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)|
Nc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.17,wD:20.24,(-2.69,8.67,;-1.93,7.34,;-2.69,6,;-1.93,4.67,;-.38,4.67,;.38,6,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;1.92,-2,;2.69,-3.33,;1.92,-4.67,;.38,-4.67,;-.39,-3.33,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)|
OC(=O)c1cccc(n1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:18.18,wD:21.25,(2.69,5.33,;1.93,6.67,;2.69,8,;.38,6.67,;-.38,8,;-1.93,8,;-2.69,6.67,;-1.93,5.33,;-.38,5.33,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.93,,;-.38,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.93,2.67,)|
Fc1c[nH]nc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:15.15,wD:18.22,(.38,4.15,;-.38,5.48,;.09,6.95,;-1.15,7.85,;-2.4,6.95,;-1.93,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
N#Cc1n[nH]cc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(-5.04,8.17,;-3.7,7.4,;-2.37,6.63,;-1.12,7.54,;.12,6.63,;-.35,5.17,;-1.89,5.17,;-2.66,3.83,;-4.2,3.83,;-4.97,2.5,;-4.2,1.16,;-4.97,-.17,;-4.2,-1.5,;-2.66,-1.5,;-1.89,-.17,;-.35,-.17,;.42,-1.5,;1.96,-1.5,;2.73,-2.84,;1.96,-4.17,;.42,-4.17,;-.35,-2.84,;2.73,-5.5,;1.96,-6.84,;2.73,-8.17,;4.27,-8.17,;5.04,-6.84,;4.27,-5.5,;-2.66,1.16,;-1.89,2.5,)|
N#CC1=C(NNN1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,t:2,(-5.04,8.17,;-3.7,7.4,;-2.37,6.63,;-1.89,5.17,;-.35,5.17,;.12,6.63,;-1.12,7.54,;-2.66,3.83,;-4.2,3.83,;-4.97,2.5,;-4.2,1.16,;-4.97,-.17,;-4.2,-1.5,;-2.66,-1.5,;-1.89,-.17,;-.35,-.17,;.42,-1.5,;1.96,-1.5,;2.73,-2.84,;1.96,-4.17,;.42,-4.17,;-.35,-2.84,;2.73,-5.5,;1.96,-6.84,;2.73,-8.17,;4.27,-8.17,;5.04,-6.84,;4.27,-5.5,;-2.66,1.16,;-1.89,2.5,)|
Cn1cc(c(CO)n1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.17,wD:20.24,(1.42,7.12,;.09,6.35,;-.38,4.88,;-1.93,4.88,;-2.4,6.35,;-3.73,7.12,;-4.5,8.45,;-1.15,7.25,;-2.69,3.55,;-4.23,3.55,;-5,2.22,;-4.23,.88,;-5,-.45,;-4.23,-1.78,;-2.69,-1.78,;-1.93,-.45,;-.38,-.45,;.38,-1.78,;1.92,-1.78,;2.69,-3.12,;1.92,-4.45,;.38,-4.45,;-.39,-3.12,;2.69,-5.79,;1.92,-7.12,;2.69,-8.45,;4.23,-8.45,;5,-7.12,;4.23,-5.79,;-2.69,.88,;-1.93,2.22,)|
Cn1nccc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:15.15,wD:18.22,(-3.73,7.72,;-2.4,6.95,;-1.15,7.85,;.09,6.95,;-.38,5.48,;-1.93,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
FC(F)(F)c1n[nH]cc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:18.18,wD:21.25,(-4.79,5.77,;-3.7,6.86,;-4.1,8.34,;-5.19,7.25,;-2.22,6.46,;-.97,7.36,;.28,6.46,;-.2,4.99,;-1.74,4.99,;-2.51,3.66,;-4.05,3.66,;-4.82,2.33,;-4.05,.99,;-4.82,-.34,;-4.05,-1.68,;-2.51,-1.68,;-1.74,-.34,;-.2,-.34,;.57,-1.68,;2.11,-1.68,;2.88,-3.01,;2.11,-4.34,;.57,-4.34,;-.2,-3.01,;2.88,-5.68,;2.11,-7.01,;2.88,-8.34,;4.42,-8.34,;5.19,-7.01,;4.42,-5.68,;-2.51,.99,;-1.74,2.33,)|
CN1NNC=C1c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:15.15,wD:18.22,c:4,(-3.73,7.72,;-2.4,6.95,;-1.15,7.85,;.09,6.95,;-.38,5.48,;-1.93,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
C1Cc2ncc(cc2N1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:21.26,wD:18.19,(-1.15,9.19,;.09,8.28,;-.38,6.82,;.38,5.48,;-.38,4.15,;-1.93,4.15,;-2.69,5.48,;-1.93,6.82,;-2.4,8.28,;-2.69,2.82,;-4.23,2.82,;-5,1.48,;-4.23,.15,;-5,-1.18,;-4.23,-2.52,;-2.69,-2.52,;-1.93,-1.18,;-.38,-1.18,;.38,-2.52,;-.39,-3.85,;.38,-5.19,;1.92,-5.19,;2.69,-3.85,;1.92,-2.52,;2.69,-6.52,;1.92,-7.85,;2.69,-9.19,;4.23,-9.19,;5,-7.85,;4.23,-6.52,;-2.69,.15,;-1.93,1.48,)|
N#Cc1sccc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(1.15,2.82,;.38,4.15,;-.38,5.48,;.09,6.95,;-1.15,7.85,;-2.4,6.95,;-1.93,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
N#Cc1cscc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(1.15,2.82,;.38,4.15,;-.38,5.48,;.09,6.95,;-1.15,7.85,;-2.4,6.95,;-1.93,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
Cc1nc[nH]c1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:15.15,wD:18.22,(.38,4.15,;-.38,5.48,;.09,6.95,;-1.15,7.85,;-2.4,6.95,;-1.93,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
Cc1n[nH]cc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:15.15,wD:18.22,(.38,4.15,;-.38,5.48,;.09,6.95,;-1.15,7.85,;-2.4,6.95,;-1.93,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
Cc1c(cnn1C)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(.38,4.15,;-.38,5.48,;-1.93,5.48,;-2.4,6.95,;-1.15,7.85,;.09,6.95,;1.42,7.72,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
Cc1c[nH]c(n1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:15.15,wD:18.22,(1.42,7.72,;.09,6.95,;-1.15,7.85,;-2.4,6.95,;-1.93,5.48,;-.38,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
Cc1cn(C)c(n1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(-1.15,8.62,;-1.15,7.08,;.09,6.18,;-.38,4.71,;.38,3.38,;-1.93,4.71,;-2.4,6.18,;-2.69,3.38,;-4.23,3.38,;-5,2.05,;-4.23,.71,;-5,-.62,;-4.23,-1.95,;-2.69,-1.95,;-1.93,-.62,;-.38,-.62,;.38,-1.95,;1.92,-1.95,;2.69,-3.29,;1.92,-4.62,;.38,-4.62,;-.39,-3.29,;2.69,-5.96,;1.92,-7.29,;2.69,-8.62,;4.23,-8.62,;5,-7.29,;4.23,-5.96,;-2.69,.71,;-1.93,2.05,)|
Cc1n[nH]c(C)c1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(.38,4.15,;-.38,5.48,;.09,6.95,;-1.15,7.85,;-2.4,6.95,;-3.73,7.72,;-1.93,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
Cc1nc(c[nH]1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:15.15,wD:18.22,(1.42,7.72,;.09,6.95,;-.38,5.48,;-1.93,5.48,;-2.4,6.95,;-1.15,7.85,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
Cn1ccnc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:15.15,wD:18.22,(.38,4.15,;-.38,5.48,;.09,6.95,;-1.15,7.85,;-2.4,6.95,;-1.93,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
Cn1ncnc1-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:15.15,wD:18.22,(.38,4.15,;-.38,5.48,;.09,6.95,;-1.15,7.85,;-2.4,6.95,;-1.93,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.82,;-4.23,1.48,;-5,.15,;-4.23,-1.18,;-2.69,-1.18,;-1.93,.15,;-.38,.15,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;2.69,-5.19,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.19,;-2.69,1.48,;-1.93,2.82,)|
C1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnoc1 |r,wU:6.6,wD:9.13,(2.69,-7.85,;1.92,-6.52,;2.69,-5.19,;4.23,-5.19,;5,-6.52,;4.23,-7.85,;1.92,-3.85,;.38,-3.85,;-.39,-2.52,;.38,-1.18,;1.92,-1.18,;2.69,-2.52,;-.38,.15,;-1.93,.15,;-2.69,-1.18,;-4.23,-1.18,;-5,.15,;-4.23,1.48,;-5,2.82,;-4.23,4.15,;-2.69,4.15,;-1.93,2.82,;-2.69,1.48,;-1.93,5.48,;-.38,5.48,;.09,6.95,;-1.15,7.85,;-2.4,6.95,)|
COc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:21.25,wD:18.18,(2.69,4.67,;1.93,6,;.38,6,;-.38,4.67,;-1.93,4.67,;-2.69,6,;-1.93,7.34,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;-.39,-3.33,;.38,-4.67,;1.92,-4.67,;2.69,-3.33,;1.92,-2,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)|
Oc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(1.93,6,;.38,6,;-.38,4.67,;-1.93,4.67,;-2.69,6,;-1.93,7.34,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;-.39,-3.33,;.38,-4.67,;1.92,-4.67,;2.69,-3.33,;1.92,-2,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)|
CN(C)c1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:22.26,wD:19.19,(2.69,4.67,;1.93,6,;2.69,7.34,;.38,6,;-.38,4.67,;-1.93,4.67,;-2.69,6,;-1.93,7.34,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;-.39,-3.33,;.38,-4.67,;1.92,-4.67,;2.69,-3.33,;1.92,-2,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)|
CNc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:21.25,wD:18.18,(2.69,4.67,;1.93,6,;.38,6,;-.38,4.67,;-1.93,4.67,;-2.69,6,;-1.93,7.34,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;-.39,-3.33,;.38,-4.67,;1.92,-4.67,;2.69,-3.33,;1.92,-2,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)|
Fc1cc(cnc1Cl)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(1.93,6,;.38,6,;-.38,4.67,;-1.93,4.67,;-2.69,6,;-1.93,7.34,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;-.39,-3.33,;.38,-4.67,;1.92,-4.67,;2.69,-3.33,;1.92,-2,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)|
Fc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(1.93,6,;.38,6,;-.38,4.67,;-1.93,4.67,;-2.69,6,;-1.93,7.34,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;-.39,-3.33,;.38,-4.67,;1.92,-4.67,;2.69,-3.33,;1.92,-2,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)|
FC(F)c1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:21.25,wD:18.18,(2.69,5.33,;1.93,6.67,;2.69,8,;.38,6.67,;-.38,8,;-1.93,8,;-2.69,6.67,;-1.93,5.33,;-.38,5.33,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.93,,;-.38,,;.38,-1.33,;-.39,-2.67,;.38,-4,;1.92,-4,;2.69,-2.67,;1.92,-1.33,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.93,2.67,)|
Nc1cc(cnc1Cl)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(1.93,6,;.38,6,;-.38,4.67,;-1.93,4.67,;-2.69,6,;-1.93,7.34,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;-.39,-3.33,;.38,-4.67,;1.92,-4.67,;2.69,-3.33,;1.92,-2,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(O)c1 |r,wU:3.2,wD:6.9,(2.31,-7.34,;3.08,-6,;4.62,-6,;2.31,-4.67,;.77,-4.67,;,-3.33,;.77,-2,;2.31,-2,;3.08,-3.33,;,-.67,;-1.54,-.67,;-2.31,-2,;-3.85,-2,;-4.62,-.67,;-3.85,.67,;-4.62,2,;-3.85,3.33,;-2.31,3.33,;-1.54,2,;-2.31,.67,;-1.54,4.67,;-2.31,6,;-1.54,7.34,;,7.34,;.77,6,;2.31,6,;,4.67,)|
CN(C)C(=O)c1cccc(n1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.20,wD:23.27,(1.93,8.67,;2.7,7.34,;4.24,7.34,;1.93,6,;2.7,4.67,;.39,6,;-.38,7.34,;-1.92,7.34,;-2.69,6,;-1.92,4.67,;-.38,4.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.92,-.67,;-.38,-.67,;.39,-2,;1.93,-2,;2.7,-3.33,;1.93,-4.67,;.39,-4.67,;-.38,-3.33,;2.7,-6,;1.93,-7.34,;2.7,-8.67,;4.24,-8.67,;5,-7.34,;4.24,-6,;-2.69,.67,;-1.92,2,)|
Oc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)(F)CC3)c2c1 |r,wU:20.24,wD:17.17,(1.64,6.77,;.1,6.77,;-.67,5.44,;-2.21,5.44,;-2.98,6.77,;-2.21,8.11,;-.67,8.11,;.1,9.44,;-2.98,4.1,;-4.52,4.1,;-5.29,2.77,;-4.52,1.44,;-5.29,.1,;-4.52,-1.23,;-2.98,-1.23,;-2.21,.1,;-.67,.1,;.1,-1.23,;-.67,-2.56,;.1,-3.9,;1.64,-3.9,;2.41,-2.56,;1.64,-1.23,;2.41,-5.23,;1.64,-6.57,;2.41,-7.9,;3.95,-7.9,;3.95,-9.44,;5.29,-8.67,;4.72,-6.57,;3.95,-5.23,;-2.98,1.44,;-2.21,2.77,)|
COC1CN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(O)c1 |r,wU:6.6,wD:9.13,(5.55,-8.28,;4.01,-8.28,;3.24,-6.94,;1.75,-6.55,;2.15,-5.06,;3.64,-5.46,;1.38,-3.72,;-.16,-3.72,;-.93,-2.39,;-.16,-1.06,;1.38,-1.06,;2.15,-2.39,;-.93,.28,;-2.47,.28,;-3.24,-1.06,;-4.78,-1.06,;-5.55,.28,;-4.78,1.61,;-5.55,2.94,;-4.78,4.28,;-3.24,4.28,;-2.47,2.94,;-3.24,1.61,;-2.47,5.61,;-3.24,6.94,;-2.47,8.28,;-.93,8.28,;-.16,6.94,;1.38,6.94,;-.93,5.61,)|
CN(C1CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(O)c1 |r,wU:5.5,wD:8.12,(4.62,-5.23,;3.08,-5.23,;2.31,-6.57,;.98,-7.34,;2.31,-8.11,;2.31,-3.9,;.77,-3.9,;,-2.56,;.77,-1.23,;2.31,-1.23,;3.08,-2.56,;,.1,;-1.54,.1,;-2.31,-1.23,;-3.85,-1.23,;-4.62,.1,;-3.85,1.44,;-4.62,2.77,;-3.85,4.1,;-2.31,4.1,;-1.54,2.77,;-2.31,1.44,;-1.54,5.44,;-2.31,6.77,;-1.54,8.11,;,8.11,;.77,6.77,;2.31,6.77,;,5.44,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(O)c1 |r,wU:5.4,wD:8.11,(2.69,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;2.69,-5.33,;1.92,-4,;.39,-4,;-.39,-2.67,;.39,-1.33,;1.92,-1.33,;2.7,-2.67,;-.38,,;-1.92,,;-2.69,-1.33,;-4.23,-1.33,;-5,,;-4.23,1.33,;-5,2.67,;-4.23,4,;-2.69,4,;-1.92,2.67,;-2.69,1.33,;-1.92,5.33,;-2.69,6.67,;-1.92,8,;-.38,8,;.39,6.67,;1.93,6.67,;-.38,5.33,)|
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(O)c1 |r,wU:7.7,wD:10.14,(5,-8.67,;4.23,-7.34,;2.69,-7.34,;1.92,-6,;2.69,-4.67,;4.23,-4.67,;5,-6,;1.92,-3.33,;.38,-3.33,;-.39,-2,;.38,-.67,;1.92,-.67,;2.69,-2,;-.38,.67,;-1.93,.67,;-2.69,-.67,;-4.23,-.67,;-5,.67,;-4.23,2,;-5,3.33,;-4.23,4.67,;-2.69,4.67,;-1.93,3.33,;-2.69,2,;-1.93,6,;-2.69,7.34,;-1.93,8.67,;-.38,8.67,;.38,7.34,;1.93,7.34,;-.38,6,)|
C[C@H]1CN(C[C@@H](C)O1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(O)c1 |r,wU:8.8,5.5,1.0,wD:11.15,(1.15,-8.67,;1.92,-7.34,;1.15,-6,;1.92,-4.67,;3.46,-4.67,;4.23,-6,;5.78,-6,;3.46,-7.34,;1.15,-3.33,;-.38,-3.33,;-1.16,-2,;-.38,-.67,;1.15,-.67,;1.93,-2,;-1.15,.67,;-2.69,.67,;-3.47,-.67,;-5,-.67,;-5.78,.67,;-5,2,;-5.78,3.33,;-5,4.67,;-3.47,4.67,;-2.69,3.33,;-3.47,2,;-2.69,6,;-3.47,7.34,;-2.69,8.67,;-1.15,8.67,;-.38,7.34,;1.15,7.34,;-1.15,6,)|
CNc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)SC)c2c1 |r,wU:20.24,wD:17.17,(2.03,9.34,;1.26,8,;-.28,8,;-1.05,9.34,;-2.59,9.34,;-3.36,8,;-2.59,6.67,;-1.05,6.67,;-3.36,5.33,;-4.9,5.33,;-5.67,4,;-4.9,2.67,;-5.67,1.33,;-4.9,,;-3.36,,;-2.59,1.33,;-1.05,1.33,;-.28,,;-1.05,-1.33,;-.28,-2.67,;1.26,-2.67,;2.03,-1.33,;1.26,,;2.03,-4,;1.26,-5.33,;2.03,-6.67,;3.57,-6.67,;4.34,-5.33,;3.57,-4,;4.34,-8,;3.57,-9.34,;-3.36,2.67,;-2.59,4,)|
CNc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)(F)CC3)c2c1 |r,wU:20.24,wD:17.17,(2.31,8.67,;1.54,7.34,;,7.34,;-.77,8.67,;-2.31,8.67,;-3.08,7.34,;-2.31,6,;-.77,6,;-3.08,4.67,;-4.62,4.67,;-5.39,3.33,;-4.62,2,;-5.39,.67,;-4.62,-.67,;-3.08,-.67,;-2.31,.67,;-.77,.67,;,-.67,;-.77,-2,;,-3.33,;1.54,-3.33,;2.31,-2,;1.54,-.67,;2.31,-4.67,;1.54,-6,;2.31,-7.34,;3.85,-7.34,;5.39,-7.34,;4.62,-8.67,;4.62,-6,;3.85,-4.67,;-3.08,2,;-2.31,3.33,)|
CNc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)CC3)c2c1 |r,wU:20.24,wD:17.17,(2.69,6,;1.93,7.34,;.38,7.34,;-.38,8.67,;-1.93,8.67,;-2.69,7.34,;-1.93,6,;-.38,6,;-2.69,4.67,;-4.23,4.67,;-5,3.33,;-4.23,2,;-5,.67,;-4.23,-.67,;-2.69,-.67,;-1.93,.67,;-.38,.67,;.38,-.67,;-.39,-2,;.38,-3.33,;1.92,-3.33,;2.69,-2,;1.92,-.67,;2.69,-4.67,;1.92,-6,;2.69,-7.34,;4.23,-7.34,;5,-8.67,;5,-6,;4.23,-4.67,;-2.69,2,;-1.93,3.33,)|
CNc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(CN4CCOCC4)CC3)c2c1 |r,wU:20.24,wD:17.17,(.39,9.34,;-.38,8,;-1.92,8,;-2.69,9.34,;-4.23,9.34,;-5,8,;-4.23,6.67,;-2.69,6.67,;-5,5.33,;-6.54,5.33,;-7.31,4,;-6.54,2.67,;-7.31,1.33,;-6.54,,;-5,,;-4.23,1.33,;-2.69,1.33,;-1.92,,;-2.7,-1.33,;-1.92,-2.67,;-.39,-2.67,;.39,-1.33,;-.39,,;.38,-4,;-.39,-5.33,;.38,-6.67,;1.92,-6.67,;2.69,-8,;4.23,-8,;5,-9.34,;6.54,-9.34,;7.31,-8,;6.54,-6.67,;5,-6.67,;2.7,-5.33,;1.92,-4,;-5,2.67,;-4.23,4,)|
CNc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC[C@H](CN4CCOCC4)C3)c2c1 |r,wU:20.24,27.29,wD:17.17,(.38,9.34,;-.38,8,;-1.93,8,;-2.69,9.34,;-4.23,9.34,;-5,8,;-4.23,6.67,;-2.69,6.67,;-5,5.33,;-6.54,5.33,;-7.31,4,;-6.54,2.67,;-7.31,1.33,;-6.54,,;-5,,;-4.23,1.33,;-2.69,1.33,;-1.93,,;-2.7,-1.33,;-1.93,-2.67,;-.39,-2.67,;.38,-1.33,;-.39,,;.38,-4,;-.39,-5.33,;.38,-6.67,;1.92,-6.67,;2.69,-5.33,;4.23,-5.33,;5,-6.67,;4.24,-8,;5,-9.34,;6.54,-9.34,;7.31,-8,;6.54,-6.67,;1.92,-4,;-5,2.67,;-4.23,4,)|
CNc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC[C@@H](CN4CCOCC4)C3)c2c1 |r,wU:20.24,wD:17.17,27.29,(.38,9.34,;-.38,8,;-1.93,8,;-2.69,9.34,;-4.23,9.34,;-5,8,;-4.23,6.67,;-2.69,6.67,;-5,5.33,;-6.54,5.33,;-7.31,4,;-6.54,2.67,;-7.31,1.33,;-6.54,,;-5,,;-4.23,1.33,;-2.69,1.33,;-1.93,,;-2.7,-1.33,;-1.93,-2.67,;-.39,-2.67,;.38,-1.33,;-.39,,;.38,-4,;-.39,-5.33,;.38,-6.67,;1.92,-6.67,;2.69,-5.33,;4.23,-5.33,;5,-6.67,;4.24,-8,;5,-9.34,;6.54,-9.34,;7.31,-8,;6.54,-6.67,;1.92,-4,;-5,2.67,;-4.23,4,)|
Oc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)CC3)c2c1 |r,wU:20.24,wD:17.17,(1.93,6.67,;.38,6.67,;-.38,5.33,;-1.93,5.33,;-2.69,6.67,;-1.93,8,;-.38,8,;.38,9.34,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.93,,;-.38,,;.38,-1.33,;-.39,-2.67,;.38,-4,;1.92,-4,;2.69,-2.67,;1.92,-1.33,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5,-9.34,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.93,2.67,)|
CS(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc(F)c(O)c1 |r,wU:9.9,wD:12.16,(5.77,-8.67,;4.23,-8.67,;2.9,-9.44,;3.46,-7.34,;1.92,-7.34,;1.15,-6,;1.92,-4.67,;3.46,-4.67,;4.24,-6,;1.15,-3.33,;-.38,-3.33,;-1.16,-2,;-.38,-.67,;1.15,-.67,;1.93,-2,;-1.15,.67,;-2.69,.67,;-3.46,-.67,;-5,-.67,;-5.77,.67,;-5,2,;-5.77,3.33,;-5,4.67,;-3.46,4.67,;-2.69,3.33,;-3.46,2,;-2.69,6,;-3.46,7.34,;-2.69,8.67,;-1.15,8.67,;-.38,10,;-.38,7.34,;1.16,7.34,;-1.15,6,)|
Nc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)(F)CC3)c2c1 |r,wU:17.17,wD:20.24,(1.64,6.77,;.1,6.77,;-.67,5.44,;-2.21,5.44,;-2.98,6.77,;-2.21,8.11,;-.67,8.11,;.1,9.44,;-2.98,4.1,;-4.52,4.1,;-5.29,2.77,;-4.52,1.44,;-5.29,.1,;-4.52,-1.23,;-2.98,-1.23,;-2.21,.1,;-.67,.1,;.1,-1.23,;1.64,-1.23,;2.41,-2.56,;1.64,-3.9,;.1,-3.9,;-.67,-2.56,;2.41,-5.23,;1.64,-6.57,;2.41,-7.9,;3.95,-7.9,;3.95,-9.44,;5.29,-8.67,;4.72,-6.57,;3.95,-5.23,;-2.98,1.44,;-2.21,2.77,)|
Nc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)CC3)c2c1 |r,wU:17.17,wD:20.24,(1.93,6.67,;.38,6.67,;-.38,5.33,;-1.93,5.33,;-2.69,6.67,;-1.93,8,;-.38,8,;.38,9.34,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.93,,;-.38,,;.38,-1.33,;1.92,-1.33,;2.69,-2.67,;1.92,-4,;.38,-4,;-.39,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5,-9.34,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.93,2.67,)|
Oc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)(F)CC3)c2c1 |r,wU:16.16,wD:19.23,(1.64,7.44,;.1,7.44,;-.67,8.77,;-2.21,8.77,;-2.98,7.44,;-2.21,6.1,;-.67,6.1,;-2.98,4.77,;-4.52,4.77,;-5.29,3.44,;-4.52,2.1,;-5.29,.77,;-4.52,-.56,;-2.98,-.56,;-2.21,.77,;-.67,.77,;.1,-.56,;1.64,-.56,;2.41,-1.9,;1.64,-3.23,;.1,-3.23,;-.67,-1.9,;2.41,-4.56,;1.64,-5.9,;2.41,-7.23,;3.95,-7.23,;3.95,-8.77,;5.29,-8,;4.72,-5.9,;3.95,-4.56,;-2.98,2.1,;-2.21,3.44,)|
Oc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)CC3)c2c1 |r,wU:16.16,wD:19.23,(1.93,7.34,;.38,7.34,;-.38,8.67,;-1.93,8.67,;-2.69,7.34,;-1.93,6,;-.38,6,;-2.69,4.67,;-4.23,4.67,;-5,3.33,;-4.23,2,;-5,.67,;-4.23,-.67,;-2.69,-.67,;-1.93,.67,;-.38,.67,;.38,-.67,;1.92,-.67,;2.69,-2,;1.92,-3.33,;.38,-3.33,;-.39,-2,;2.69,-4.67,;1.92,-6,;2.69,-7.34,;4.23,-7.34,;5,-8.67,;5,-6,;4.23,-4.67,;-2.69,2,;-1.93,3.33,)|
C[C@H]1CN(C[C@@H](C)O1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc(F)c(N)c1 |r,wU:11.15,1.0,5.5,wD:8.8,(1.15,-9.34,;1.92,-8,;1.15,-6.67,;1.92,-5.33,;3.46,-5.33,;4.23,-6.67,;5.78,-6.67,;3.46,-8,;1.15,-4,;1.93,-2.67,;1.15,-1.33,;-.38,-1.33,;-1.16,-2.67,;-.38,-4,;-1.15,,;-2.69,,;-3.47,-1.33,;-5,-1.33,;-5.78,,;-5,1.33,;-5.78,2.67,;-5,4,;-3.47,4,;-2.69,2.67,;-3.47,1.33,;-2.69,5.33,;-3.47,6.67,;-2.69,8,;-1.15,8,;-.38,9.34,;-.38,6.67,;1.15,6.67,;-1.15,5.33,)|
CSN1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc(F)c(N)c1 |r,wU:11.15,wD:8.8,(5.11,-10,;4.34,-8.67,;3.57,-7.34,;2.03,-7.34,;1.26,-6,;2.03,-4.67,;3.57,-4.67,;4.34,-6,;1.26,-3.33,;2.03,-2,;1.26,-.67,;-.28,-.67,;-1.05,-2,;-.28,-3.33,;-1.05,.67,;-2.59,.67,;-3.36,-.67,;-4.9,-.67,;-5.67,.67,;-4.9,2,;-5.67,3.33,;-4.9,4.67,;-3.36,4.67,;-2.59,3.33,;-3.36,2,;-2.59,6,;-3.36,7.34,;-2.59,8.67,;-1.05,8.67,;-.28,10,;-.28,7.34,;1.26,7.34,;-1.05,6,)|
Nc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCCC(CN4CCOCC4)C3)c2c1 |r,wU:17.17,wD:20.24,(-.38,7.34,;-1.93,7.34,;-2.69,6,;-4.23,6,;-5,7.34,;-4.23,8.67,;-2.69,8.67,;-1.93,10,;-5,4.67,;-6.54,4.67,;-7.31,3.33,;-6.54,2,;-7.31,.67,;-6.54,-.67,;-5,-.67,;-4.23,.67,;-2.69,.67,;-1.93,-.67,;-.39,-.67,;.38,-2,;-.39,-3.33,;-1.93,-3.33,;-2.7,-2,;.38,-4.67,;-.39,-6,;.38,-7.34,;1.92,-7.34,;2.69,-6,;4.23,-6,;5,-7.34,;4.24,-8.67,;5,-10,;6.54,-10,;7.31,-8.67,;6.54,-7.34,;1.92,-4.67,;-5,2,;-4.23,3.33,)|
Nc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCO[C@@H](CF)C3)c2c1 |r,wU:17.17,wD:20.24,27.29,(.77,6,;-.77,6,;-1.54,4.67,;-3.08,4.67,;-3.85,6,;-3.08,7.34,;-1.54,7.34,;-.77,8.67,;-3.85,3.33,;-5.39,3.33,;-6.16,2,;-5.39,.67,;-6.16,-.67,;-5.39,-2,;-3.85,-2,;-3.08,-.67,;-1.54,-.67,;-.77,-2,;.77,-2,;1.54,-3.33,;.77,-4.67,;-.77,-4.67,;-1.54,-3.33,;1.54,-6,;.77,-7.34,;1.54,-8.67,;3.08,-8.67,;3.85,-7.34,;5.39,-7.34,;6.16,-8.67,;3.08,-6,;-3.85,.67,;-3.08,2,)|
Nc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCO[C@H](CF)C3)c2c1 |r,wU:17.17,27.29,wD:20.24,(.77,6,;-.77,6,;-1.54,4.67,;-3.08,4.67,;-3.85,6,;-3.08,7.34,;-1.54,7.34,;-.77,8.67,;-3.85,3.33,;-5.39,3.33,;-6.16,2,;-5.39,.67,;-6.16,-.67,;-5.39,-2,;-3.85,-2,;-3.08,-.67,;-1.54,-.67,;-.77,-2,;.77,-2,;1.54,-3.33,;.77,-4.67,;-.77,-4.67,;-1.54,-3.33,;1.54,-6,;.77,-7.34,;1.54,-8.67,;3.08,-8.67,;3.85,-7.34,;5.39,-7.34,;6.16,-8.67,;3.08,-6,;-3.85,.67,;-3.08,2,)|
C[C@@H]1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc(F)c(N)c1 |r,wU:10.14,1.0,wD:7.7,(5.78,-7.34,;4.23,-7.34,;3.46,-6,;1.92,-6,;1.15,-7.34,;1.92,-8.67,;3.46,-8.67,;1.15,-4.67,;1.93,-3.33,;1.15,-2,;-.38,-2,;-1.16,-3.33,;-.38,-4.67,;-1.15,-.67,;-2.69,-.67,;-3.47,-2,;-5,-2,;-5.78,-.67,;-5,.67,;-5.78,2,;-5,3.33,;-3.47,3.33,;-2.69,2,;-3.47,.67,;-2.69,4.67,;-3.47,6,;-2.69,7.34,;-1.15,7.34,;-.38,8.67,;-.38,6,;1.15,6,;-1.15,4.67,)|
C[C@H]1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cnc(F)c(N)c1 |r,wU:10.14,wD:7.7,1.0,(5.78,-7.34,;4.23,-7.34,;3.46,-6,;1.92,-6,;1.15,-7.34,;1.92,-8.67,;3.46,-8.67,;1.15,-4.67,;1.93,-3.33,;1.15,-2,;-.38,-2,;-1.16,-3.33,;-.38,-4.67,;-1.15,-.67,;-2.69,-.67,;-3.47,-2,;-5,-2,;-5.78,-.67,;-5,.67,;-5.78,2,;-5,3.33,;-3.47,3.33,;-2.69,2,;-3.47,.67,;-2.69,4.67,;-3.47,6,;-2.69,7.34,;-1.15,7.34,;-.38,8.67,;-.38,6,;1.15,6,;-1.15,4.67,)|
CNc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r,wU:21.25,29.31,26.28,wD:18.18,(1.93,5.33,;1.15,6.67,;-.38,6.67,;-1.15,5.33,;-2.69,5.33,;-3.47,6.67,;-2.69,8,;-1.15,8,;-.38,9.34,;-3.47,4,;-5,4,;-5.78,2.67,;-5,1.33,;-5.78,,;-5,-1.33,;-3.47,-1.33,;-2.69,,;-1.15,,;-.38,-1.33,;-1.16,-2.67,;-.38,-4,;1.15,-4,;1.93,-2.67,;1.15,-1.33,;1.92,-5.33,;1.15,-6.67,;1.92,-8,;1.15,-9.34,;3.46,-8,;4.23,-6.67,;5.78,-6.67,;3.46,-5.33,;-3.47,1.33,;-2.69,2.67,)|
CNc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)(F)CC3)c2c1 |r,wU:21.25,wD:18.18,(2.31,5.33,;1.54,6.67,;,6.67,;-.77,5.33,;-2.31,5.33,;-3.08,6.67,;-2.31,8,;-.77,8,;,9.34,;-3.08,4,;-4.62,4,;-5.39,2.67,;-4.62,1.33,;-5.39,,;-4.62,-1.33,;-3.08,-1.33,;-2.31,,;-.77,,;,-1.33,;-.77,-2.67,;,-4,;1.54,-4,;2.31,-2.67,;1.54,-1.33,;2.31,-5.33,;1.54,-6.67,;2.31,-8,;3.85,-8,;5.39,-8,;4.62,-9.34,;4.62,-6.67,;3.85,-5.33,;-3.08,1.33,;-2.31,2.67,)|
CNc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(=O)C3CC3)c2c1 |r,wU:21.25,wD:18.18,(1.26,6,;.49,7.34,;-1.05,7.34,;-1.82,6,;-3.36,6,;-4.13,7.34,;-3.36,8.67,;-1.82,8.67,;-1.05,10,;-4.13,4.67,;-5.67,4.67,;-6.44,3.33,;-5.67,2,;-6.44,.67,;-5.67,-.67,;-4.13,-.67,;-3.36,.67,;-1.82,.67,;-1.05,-.67,;-1.82,-2,;-1.05,-3.33,;.49,-3.33,;1.26,-2,;.49,-.67,;1.26,-4.67,;.49,-6,;1.26,-7.34,;2.8,-7.34,;3.57,-6,;2.8,-4.67,;3.57,-8.67,;2.8,-10,;5.11,-8.67,;6.44,-9.44,;6.44,-7.9,;-4.13,2,;-3.36,3.33,)|
CNc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)CC3)c2c1 |r,wU:21.25,wD:18.18,(2.69,5.33,;1.93,6.67,;.38,6.67,;-.38,5.33,;-1.93,5.33,;-2.69,6.67,;-1.93,8,;-.38,8,;.38,9.34,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.93,,;-.38,,;.38,-1.33,;-.39,-2.67,;.38,-4,;1.92,-4,;2.69,-2.67,;1.92,-1.33,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5,-9.34,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.93,2.67,)|
CNc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCO[C@H](C)C3)c2c1 |r,wU:21.25,28.30,wD:18.18,(1.93,4.67,;1.15,6,;-.38,6,;-1.15,4.67,;-2.69,4.67,;-3.47,6,;-2.69,7.34,;-1.15,7.34,;-.38,8.67,;-3.47,3.33,;-5,3.33,;-5.78,2,;-5,.67,;-5.78,-.67,;-5,-2,;-3.47,-2,;-2.69,-.67,;-1.15,-.67,;-.38,-2,;-1.16,-3.33,;-.38,-4.67,;1.15,-4.67,;1.93,-3.33,;1.15,-2,;1.92,-6,;1.15,-7.34,;1.92,-8.67,;3.46,-8.67,;4.23,-7.34,;5.78,-7.34,;3.46,-6,;-3.47,.67,;-2.69,2,)|
CNc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCO[C@@H](C)C3)c2c1 |r,wU:21.25,wD:18.18,28.30,(1.93,4.67,;1.15,6,;-.38,6,;-1.15,4.67,;-2.69,4.67,;-3.47,6,;-2.69,7.34,;-1.15,7.34,;-.38,8.67,;-3.47,3.33,;-5,3.33,;-5.78,2,;-5,.67,;-5.78,-.67,;-5,-2,;-3.47,-2,;-2.69,-.67,;-1.15,-.67,;-.38,-2,;-1.16,-3.33,;-.38,-4.67,;1.15,-4.67,;1.93,-3.33,;1.15,-2,;1.92,-6,;1.15,-7.34,;1.92,-8.67,;3.46,-8.67,;4.23,-7.34,;5.78,-7.34,;3.46,-6,;-3.47,.67,;-2.69,2,)|
COCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
COCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1
COCCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
COCCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1
CC(C)(O)c1cc2nn(CCO)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
OCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1
CC(C)(O)c1cc2nn(CC3COC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
OCc1cc2nn(CC3COC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(O)c1cc2nn(CCCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(CCn1cc2cc(c(cc2n1)C(C)(C)O)NC(=O)c3cccc(n3)C(F)(F)F)O
CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)F)c(cc2n1)C(C)(C)O
CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)F
CC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(n1)C(F)F
CC(C)(O)c1cc2nn(CCCC(F)(F)F)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(O)c1cc2nn(CCCOC(F)(F)F)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(O)c1cc2nn(CCCOCC(F)(F)F)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Cc1nc(ccc1F)C(=O)Nc1cc2cn(CCC(C)(C)O)nc2cc1C(C)(C)O
Cc1cccc(n1)C(=O)Nc1cc2cn(CCC(C)(C)O)nc2cc1C(C)(C)O
CC(C)(O)c1cccc(n1)C(=O)Nc1cc2cn(CCCC(F)(F)F)nc2cc1C(C)(C)O
CC(C)(O)c1cc2nn(CCC3(O)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)N[C@@H]4CCCC[C@@H]4N
Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)cn1
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCN(CC3CC3)CC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(NC4CCNCC4)nc23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCCNCC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F |r|
CCN1CCCN(CC1)c1ccn2ncc(C(=O)Nc3cn(C)nc3C(F)(F)F)c2n1
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC2CN3)c(n1)C(F)(F)F |TLB:13:16:19.20:23.22|
Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCNC4)nc23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CC2CN3)c(n1)C(F)(F)F |TLB:13:16:22.21:19|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNC(C2)C(F)(F)F)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNC(C2)C(F)F)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(NC4CCCNCC4)nc23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCN3CCCC3C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CC(C2)N3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4O)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H](O)C[C@H](O)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@H](O)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@@H](O)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](O)C[C@@H](O)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@@H](O)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@H](O)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC(F)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNC(C2)C2CC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2C2CC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNC(C)(C)C2)c(n1)C(F)(F)F
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccncc3C(F)(F)F)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCCC[C@H]4N)nc23)c(n1)C(F)(F)F |r|
CN1CCN(CC1)c1ccn2ncc(C(=O)Nc3cn(C)nc3C(F)(F)F)c2n1
CN1CCN(c2ccn3ncc(C(=O)Nc4cn(C)nc4C(F)(F)F)c3n2)C(C)(C)C1
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC(F)(F)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4O)nc23)c(n1)C(F)(F)F |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccccc3C(F)(F)F)c2n1 |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cscc3C#N)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCN3CCC2CC3)c(n1)C(F)(F)F |(-6.22,-3.74,;-4.89,-2.97,;-4.89,-1.43,;-3.42,-.95,;-3.03,.54,;-4.11,1.63,;-5.6,1.23,;-3.72,3.11,;-4.62,4.36,;-3.72,5.61,;-2.25,5.13,;-.92,5.9,;.42,5.13,;.42,3.59,;-.92,2.82,;-2.25,3.59,;1.75,2.82,;1.75,1.28,;2.95,.32,;4.45,.66,;5.12,2.05,;4.45,3.44,;2.95,3.78,;2.63,2.2,;4.64,2.2,;-2.52,-2.2,;-3.42,-3.44,;-.98,-2.2,;-.21,-.86,;-.21,-3.53,;.56,-2.2,)|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2CC(F)(F)F)c(n1)C(F)(F)F
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3C#N)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCN3CCC2C3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@H](N)C2)c(n1)C(F)(F)F |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccoc3C(F)(F)F)c2n1 |r|
CC(C)(C)n1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(F)(F)F
CC(C)(C)n1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)(F)F
CC(C)(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4O)nc23)c(n1)C(F)(F)F |r|
CC(C)(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
CC(C)(C)n1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC2CN3)c(n1)C(F)(F)F
CC(C)n1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)(F)F
CC(C)n1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC2CN3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
CC(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
O[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CC(F)(F)F)nc3C(F)(F)F)c2n1 |r|
FC(F)(F)Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC2CN3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC(N)CC(F)(F)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)CC(F)(F)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H](N)CC(F)(F)C2)c(n1)C(F)(F)F |r|
FC(F)Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(F)(F)F
O[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CC(F)F)nc3C(F)(F)F)c2n1 |r|
FC(F)Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)(F)F
FC(F)Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC2CN3)c(n1)C(F)(F)F
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3cn(CC(F)F)nc3C(F)(F)F)c2n1 |r|
FC(F)n1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC2CN3)c(n1)C(F)(F)F
FC(F)n1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)(F)F
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3cn(CC(F)(F)F)nc3C(F)(F)F)c2n1 |r|
FC(F)(F)Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)(F)F
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3cn(nc3C(F)(F)F)C(F)F)c2n1 |r|
O[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(nc3C(F)(F)F)C(F)F)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC2CCN3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CC2CCN3)c(n1)C(F)(F)F
C[C@@H]1CN([C@H](C)CN1)c1ccn2ncc(C(=O)Nc3cn(C)nc3C(F)(F)F)c2n1 |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cscc3Br)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H]3CC[C@H]2CN3)c(n1)C(F)(F)F |r|
CC1CN(C(C)CN1)c1ccn2ncc(C(=O)Nc3cn(C)nc3C(F)(F)F)c2n1
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CNC(COC3)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC(C2)N3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CC2CNC3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H]3C[C@@H]2CNC3)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H]3C[C@H]2CNC3)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4O)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCCNCC2)c(n1)C(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H]3CC[C@@H](C2)N3)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2[C@H]3CC[C@@H]2[C@H]2CC[C@@H]3N2)c(n1)C(F)(F)F |r,THB:13:16:21.25.24:19.18|
C[C@H]1CN([C@H](C)CN1)c1ccn2ncc(C(=O)Nc3cn(C)nc3C(F)(F)F)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@@H]3CC[C@H](C2)N3)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCCC22CC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC2CN3)c(n1)C(F)F
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCCNCC22CC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCNC4)nc23)c(n1)C(F)F
Ic1ccccc1NC(=O)c1cnn2ccc(nc12)N1CCNCC2(CC2)C1
O[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccccc3I)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C3CCC4NC3CCC24)c(n1)C(F)(F)F |TLB:18:17:24.23:20.21,19:20:16.17:24.23,THB:13:16:24.23:20.21,13:16:18.19.20:22.24.23,13:16:18.19:22.21,24:25:18.19:22.21,23:22:18.19:16.25|
Ic1ccccc1NC(=O)c1cnn2ccc(nc12)N1CC2CCC1CN2
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccccc3Cl)c2n1 |r|
Clc1ccccc1NC(=O)c1cnn2ccc(nc12)N1CCCNCC1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3ccccc3Cl)c2n1 |r|
Clc1ccccc1NC(=O)c1cnn2ccc(nc12)N1CC2CCC1CN2
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3ccccc3Br)c2n1 |r|
Brc1ccccc1NC(=O)c1cnn2ccc(nc12)N1CCCNCC1
O=C(Nc1ccsc1C#N)c1cnn2ccc(nc12)N1CC2CCC1CN2
O=C(Nc1ccsc1C#N)c1cnn2ccc(nc12)N1CCCNCC1
Brc1ccccc1NC(=O)c1cnn2ccc(nc12)N1CC2CCC1CN2
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccccc3Br)c2n1 |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3ccccc3C(F)(F)F)c2n1 |r|
FC(F)(F)c1ccccc1NC(=O)c1cnn2ccc(nc12)N1CC2CCC1CN2
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3Cl)c2n1 |r|
Clc1sccc1NC(=O)c1cnn2ccc(nc12)N1CCCNCC1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3ccsc3Cl)c2n1 |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cscc3C(F)F)c2n1 |r|
FC(F)c1cscc1NC(=O)c1cnn2ccc(nc12)N1CCCNCC1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3cscc3C(F)F)c2n1 |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3cscc3Br)c2n1 |r|
Brc1cscc1NC(=O)c1cnn2ccc(nc12)N1CCCNCC1
Brc1cscc1NC(=O)c1cnn2ccc(nc12)N1CC2CCC1CN2
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCCNCC2)c(n1)C#N
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C#N |r|
Brc1sccc1NC(=O)c1cnn2ccc(nc12)N1CCCNCC1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3ccsc3Br)c2n1 |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3Br)c2n1 |r|
FC(F)c1ccccc1NC(=O)c1cnn2ccc(nc12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccccc3C(F)F)c2n1 |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3ccccc3C(F)F)c2n1 |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3ccsc3C#N)c2n1 |r|
Clc1sccc1NC(=O)c1cnn2ccc(nc12)N1CC2CCC1CN2
FC(F)c1cscc1NC(=O)c1cnn2ccc(nc12)N1CC2CCC1CN2
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC2CN3)c(n1)C#N
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCCNCC2)c(Br)n1
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Br)n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(Br)n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC2CN3)c(Br)n1
O=C(Nc1cscc1C#N)c1cnn2ccc(nc12)N1CCCNCC1
Brc1sccc1NC(=O)c1cnn2ccc(nc12)N1CC2CCC1CN2
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3cscc3C#N)c2n1 |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3C(F)(F)F)c2n1 |r|
O=C(Nc1cscc1C#N)c1cnn2ccc(nc12)N1CC2CCC1CN2
FC(F)c1ccccc1NC(=O)c1cnn2ccc(nc12)N1CC2CCC1CN2
FC(F)(F)c1sccc1NC(=O)c1cnn2ccc(nc12)N1CC2CCC1CN2
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCCNCC2)c(Cl)n1
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(Cl)n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H]3CC[C@H]2CN3)c(Cl)n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(Cl)n1 |r|
FC(F)(F)c1sccc1NC(=O)c1cnn2ccc(nc12)N1CCCNCC1
FC(F)c1cscc1NC(=O)c1cnn2ccc(nc12)N1C[C@@H]2CC[C@H]1CN2 |r|
FC(F)c1cscc1NC(=O)c1cnn2ccc(nc12)N1C[C@H]2CC[C@@H]1CN2 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H]3CC[C@H]2CN3)c(n1)C#N |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C#N |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H]3CC[C@H]2CN3)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCCNC4)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCCNC4)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H]3CC[C@H]2CN3)c(Br)n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(Br)n1 |r|
Cn1ncc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c1C(F)(F)F |r|
Clc1cscc1NC(=O)c1cnn2ccc(nc12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cscc3Cl)c2n1 |r|
Clc1cscc1NC(=O)c1cnn2ccc(nc12)N1C[C@@H]2CC[C@H]1CN2 |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3ccsc3C(F)F)c2n1 |r|
Clc1cscc1NC(=O)c1cnn2ccc(nc12)N1C[C@H]2CC[C@@H]1CN2 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC(C2)N3)c(n1)C(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)CC(F)(F)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H](F)[C@H](N)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@@H](F)[C@H](N)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@@H](F)[C@@H](N)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H](F)[C@@H](N)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@@H](F)[C@@H](N)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H](F)[C@H](N)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H](N)CC(F)(F)C2)c(n1)C(F)F |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CNC(C3)C2)c(n1)C(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H]3CN[C@@H](C3)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H]3CN[C@H](C3)C2)c(n1)C(F)F |r|
O[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3Cl)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4O)nc23)c(Cl)n1 |r|
O[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3C#N)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC(F)(F)[C@@H](N)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC(F)(F)[C@@H](N)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC(F)(F)[C@H](N)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC(F)(F)[C@H](N)C2)c(n1)C(F)F |r|
O[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccccc3Cl)c2n1 |r|
O[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccccc3Br)c2n1 |r|
O[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3Br)c2n1 |r|
CC(C)(C)n4cc(NC(=O)c2cnn3ccc(N[C@@H]1CCCC[C@@H]1O)nc23)c(C(F)F)n4
CC(C)(C)n4cc(NC(=O)c2cnn3ccc(N[C@@H]1CCCC(F)(F)[C@@H]1N)nc23)c(C(F)F)n4
CC(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4O)nc23)c(n1)C(F)F |r|
CC(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(O)[C@@H]4O)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4[C@H](N)CCCC4O)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CC(F)(F)CC[C@H]4N)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCC(F)(F)C[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCC(F)(F)C[C@H]4N)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CC(F)(F)CC[C@H]4O)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCC(F)(F)C[C@H]4N)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CC(F)(F)CC[C@H]4N)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCC(F)(F)C[C@@H]4N)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@@H]3C[C@H]2CN3)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C3CC2CNC3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2C(F)(F)F)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2(C)C)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(NC4CNCC(F)(F)C4)nc23)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CNCC(F)(F)C4)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCC(F)(F)C4)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)C2CCNC3(CC3)CC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2[C@H]3CC[C@@H]2CNCC3)c(n1)C(F)(F)F |r,THB:13:16:21.22.23.24:19.18|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2[C@@H]3CC[C@H]2CNCC3)c(n1)C(F)(F)F |r,THB:13:16:21.22.23.24:19.18|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CNC(C3)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H]3CN[C@@H](C3)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H]3CN[C@H](C3)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C3CCC2CNC3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCCNC3(CC3)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CNCC(F)(F)C4)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C3CCC2CNC3)c(n1)C(F)F
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CNCC[C@@H]4F)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCC[C@H]4F)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CNCC[C@H]4F)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCC[C@@H]4F)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(NC4CNCCC4F)nc23)c(n1)C(F)F
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCC(F)(F)C4)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CC2CNC3)c(n1)C(F)F
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H]3C[C@@H]2CNC3)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H]3C[C@H]2CNC3)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCCC4(F)F)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCCC4(F)F)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H](N)C[C@H](F)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H](N)C[C@H](F)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H](N)C[C@@H](F)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)C[C@H](F)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)C[C@H](F)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)C[C@@H](F)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)C[C@@H](F)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CNC[C@@H](F)C4)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CNC[C@@H](F)C4)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNC[C@@H](F)C4)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNC[C@@H](F)C4)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CNC[C@H](F)C4)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNC[C@H](F)C4)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNC[C@H](F)C4)nc23)c(n1)C(F)F |r|
O[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccccc3C#N)c2n1 |r|
O=C(Nc1ccccc1C#N)c1cnn2ccc(nc12)N1CCNCC2(CC2)C1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccn2ncc(C(=O)Nc3ccccc3C#N)c2n1 |r|
N[C@@H]1CCCN(C1)c1ccn2ncc(C(=O)Nc3ccccc3C#N)c2n1 |r|
O=C(Nc1ccccc1C#N)c1cnn2ccc(N[C@@H]3CCCNC3)nc12 |r|
O=C(Nc1ccccc1C#N)c1cnn2ccc(nc12)N1CC2CCC1CN2
O=C(Nc1ccccc1C#N)c1cnn2ccc(NC3CCCCNC3)nc12
O=C(Nc1ccccc1C#N)c1cnn2ccc(nc12)N1CCCNCC1
O=C(Nc1ccccc1C#N)c1cnn2ccc(nc12)N1CCNCC1
N[C@@H]1CCCC[C@@H]1Nc1ccn2ncc(C(=O)Nc3cnn(c3)-c3cccnc3)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)cn1 |r|
COCc1nn(C)cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)-c1nnco1 |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r|
COCCc1nn(C)cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)-c1ccncc1 |r|
Cc1cnc(o1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)-c1nncn1C |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)-c1cncnc1 |r|
Cc1nc(no1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(CCF)n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(NCCN4CCOCC4)nc23)c(n1)C(F)(F)F
CC(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CC(F)F)nc3C(F)(F)F)c2n1 |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(nc3C(F)(F)F)C3CC3)c2n1 |r|
CC(C)(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CC(F)(F)F)nc3C(F)(F)F)c2n1 |r|
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(nc3C(F)(F)F)C(F)F)c2n1 |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)C(F)(F)F |r|
CC(C)n1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(F)(F)F
FC(F)(F)Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(F)(F)F
FC(F)n1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(F)(F)F
N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3c[nH]nc3C(F)(F)F)c2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4O)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCNCC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCCNCC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCC[C@@H](N)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCNCC3(CC3)C2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3cnc(NC4CCCCNC4)nn23)c(n1)C(F)(F)F
O=C(Nc1cscc1C#N)c1ccc2cnc(nn12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3cscc3C#N)n2n1 |r|
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3cscc3Br)n2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCCNCC2)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4O)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCC[C@@H](N)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(NC4CCCCNC4)nn23)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCNCC3(CC3)C2)c(n1)C(F)F
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3ccsc3C#N)n2n1 |r|
O=C(Nc1ccsc1C#N)c1ccc2cnc(nn12)N1CC2CCC1CN2
Brc1cscc1NC(=O)c1ccc2cnc(nn12)N1CCCNCC1
Brc1cscc1NC(=O)c1ccc2cnc(nn12)N1CC2CCC1CN2
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCCNCC2)c(Cl)n1
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3ccccc3C(F)(F)F)n2n1 |r|
FC(F)(F)c1ccccc1NC(=O)c1ccc2cnc(nn12)N1CCCNCC1
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CC3CCC2CN3)c(n1)C(F)F
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3ccsc3Cl)n2n1 |r|
Clc1sccc1NC(=O)c1ccc2cnc(nn12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3ccccc3Br)n2n1 |r|
Brc1ccccc1NC(=O)c1ccc2cnc(nn12)N1CCCNCC1
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCCNCC2)c(n1)C#N
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r|
O=C(Nc1cscc1C#N)c1ccc2cnc(nn12)N1CC2CCC1CN2
Brc1sccc1NC(=O)c1ccc2cnc(nn12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3ccsc3Br)n2n1 |r|
Clc1ccccc1NC(=O)c1ccc2cnc(nn12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3ccccc3Cl)n2n1 |r|
FC(F)c1cscc1NC(=O)c1ccc2cnc(nn12)N1CCCNCC1
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3cscc3C(F)F)n2n1 |r|
O=C(Nc1ccsc1C#N)c1ccc2cnc(nn12)N1CCCNCC1
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H]3CC[C@H]2CN3)c(Cl)n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H]3CC[C@@H]2CN3)c(Cl)n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H]3CC[C@H]2CN3)c(n1)C#N |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C#N |r|
Brc1sccc1NC(=O)c1ccc2cnc(nn12)N1C[C@@H]2CC[C@H]1CN2 |r|
Brc1sccc1NC(=O)c1ccc2cnc(nn12)N1C[C@H]2CC[C@@H]1CN2 |r|
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3ccccc3C#N)n2n1 |r|
N[C@@H]1CCCN(C1)c1ncc2ccc(C(=O)Nc3ccccc3C#N)n2n1 |r|
O=C(Nc1ccccc1C#N)c1ccc2cnc(N[C@@H]3CCCNC3)nn12 |r|
Clc1sccc1NC(=O)c1ccc2cnc(nn12)N1C[C@@H]2CC[C@H]1CN2 |r|
Clc1sccc1NC(=O)c1ccc2cnc(nn12)N1C[C@H]2CC[C@@H]1CN2 |r|
Clc1ccccc1NC(=O)c1ccc2cnc(nn12)N1C[C@H]2CC[C@@H]1CN2 |r|
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3ccccc3C(F)F)n2n1 |r|
FC(F)c1ccccc1NC(=O)c1ccc2cnc(nn12)N1CCCNCC1
O=C(Nc1ccccc1C#N)c1ccc2cnc(nn12)N1CCNCC1
O=C(Nc1ccccc1C#N)c1ccc2cnc(nn12)N1CCCNCC1
O=C(Nc1ccccc1C#N)c1ccc2cnc(N[C@H]3CCCCNC3)nn12 |r|
FC(F)c1ccccc1NC(=O)c1ccc2cnc(nn12)N1C[C@@H]2CC[C@H]1CN2 |r|
FC(F)c1ccccc1NC(=O)c1ccc2cnc(nn12)N1C[C@H]2CC[C@@H]1CN2 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H]3CC[C@H]2CN3)c(Br)n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H]3CC[C@@H]2CN3)c(Br)n1 |r|
Clc1ccccc1NC(=O)c1ccc2cnc(nn12)N1C[C@@H]2CC[C@H]1CN2 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Br)n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCCNCC2)c(Br)n1
FC(F)(F)c1ccccc1NC(=O)c1ccc2cnc(nn12)N1C[C@H]2CC[C@@H]1CN2 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@H]4CCCCNC4)nn23)c(n1)C(F)(F)F |r|
Cn1ncc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c1C(F)(F)F |r|
O[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3ccccc3C#N)n2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)(F)F |r|
O=C(Nc1ccccc1C#N)c1ccc2cnc(N[C@@H]3CCCCNC3)nn12 |r|
O=C(Nc1ccccc1C#N)c1ccc2cnc(nn12)N1C[C@@H]2CC[C@H]1CN2 |r|
O=C(Nc1ccccc1C#N)c1ccc2cnc(nn12)N1C[C@H]2CC[C@@H]1CN2 |r|
O=C(Nc1ccccc1C#N)c1ccc2cnc(nn12)N1CCNCC2(CC2)C1
Brc1ccccc1NC(=O)c1ccc2cnc(nn12)N1C[C@H]2CC[C@@H]1CN2 |r|
FC(F)(F)c1ccccc1NC(=O)c1ccc2cnc(nn12)N1C[C@@H]2CC[C@H]1CN2 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nn23)c(Cl)n1 |r|
FC(F)c1cscc1NC(=O)c1ccc2cnc(nn12)N1C[C@@H]2CC[C@H]1CN2 |r|
FC(F)c1cscc1NC(=O)c1ccc2cnc(nn12)N1C[C@H]2CC[C@@H]1CN2 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CC3CCC(C2)N3)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CC3CCC(C2)N3)c(n1)C(F)F
Brc1ccccc1NC(=O)c1ccc2cnc(nn12)N1C[C@@H]2CC[C@H]1CN2 |r|
FC(F)(F)c1sccc1NC(=O)c1ccc2cnc(nn12)N1CCCNCC1
FC(F)(F)c1sccc1NC(=O)c1ccc2cnc(nn12)N1C[C@@H]2CC[C@H]1CN2 |r|
FC(F)(F)c1sccc1NC(=O)c1ccc2cnc(nn12)N1C[C@H]2CC[C@@H]1CN2 |r|
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3ccsc3C(F)(F)F)n2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nn23)c(Br)n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@H]4CCCCNC4)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nn23)c(n1)C(F)F |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ncc2ccc(C(=O)Nc3cscc3C(F)F)n2n1 |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ncc2ccc(C(=O)Nc3ccsc3Br)n2n1 |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ncc2ccc(C(=O)Nc3ccsc3C(F)(F)F)n2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C3CCC2CNC3)c(n1)C(F)(F)F
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ncc2ccc(C(=O)Nc3ccsc3Cl)n2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nn23)c(n1)C#N |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H]3CN[C@@H](C3)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H]3CN[C@H](C3)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H]3CN[C@@H](C3)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H]3CN[C@H](C3)C2)c(n1)C(F)F |r|
Clc1cscc1NC(=O)c1ccc2cnc(nn12)N1CCCNCC1
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ncc2ccc(C(=O)Nc3ccccc3Br)n2n1 |r|
Clc1cscc1NC(=O)c1ccc2cnc(nn12)N1C[C@@H]2CC[C@H]1CN2 |r|
Clc1cscc1NC(=O)c1ccc2cnc(nn12)N1C[C@H]2CC[C@@H]1CN2 |r|
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3cscc3Cl)n2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CC3CCC(C2)N3)c(n1)C#N
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C3CCC2CNC3)c(n1)C#N
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H]3CN[C@@H](C3)C2)c(n1)C#N |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H]3CN[C@H](C3)C2)c(n1)C#N |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H]3C[C@@H]2CNC3)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H]3C[C@H]2CNC3)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H]3C[C@@H]2CNC3)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H]3C[C@H]2CNC3)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C3CCC2CNC3)c(n1)C(F)F
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4O)nn23)c(n1)C#N |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCC[C@H](N)C2)c(n1)C#N |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCNC4)nn23)c(n1)C#N |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCC[C@@H](N)C2)c(n1)C#N |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ncc2ccc(C(=O)Nc3cscc3Cl)n2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@H]4CC(F)(F)CC[C@H]4N)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@H]4CCC(F)(F)C[C@H]4N)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@H]4CCC(F)(F)C[C@H]4N)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@H]4CC(F)(F)CC[C@H]4N)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CC(F)(F)CC[C@@H]4N)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCC(F)(F)C[C@@H]4N)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H]3C[C@H]2CNC3)c(n1)C#N |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H]3C[C@@H]2CNC3)c(n1)C#N |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ncc2ccc(C(=O)Nc3ccccc3C#N)n2n1 |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ncc2ccc(C(=O)Nc3ccccc3C(F)(F)F)n2n1 |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ncc2ccc(C(=O)Nc3ccccc3Cl)n2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCC(F)(F)C[C@@H]4N)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CC(F)(F)CC[C@@H]4N)nn23)c(n1)C(F)F |r|
N[C@@H]1CCCN(C1)c1ncc2ccc(C(=O)Nc3ccsc3C#N)n2n1 |r|
O[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3cscc3C#N)n2n1 |r|
N[C@H]1CCCN(C1)c1ncc2ccc(C(=O)Nc3cscc3C#N)n2n1 |r|
N[C@@H]1CCCN(C1)c1ncc2ccc(C(=O)Nc3cscc3C#N)n2n1 |r|
O=C(Nc1cscc1C#N)c1ccc2cnc(N[C@@H]3CCCNC3)nn12 |r|
O=C(Nc1ccsc1C#N)c1ccc2cnc(N[C@@H]3CCCNC3)nn12 |r|
O[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3ccsc3C#N)n2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H](N)C[C@@H](F)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H](N)C[C@@H](F)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H](N)C[C@H](F)C2)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H](N)C[C@@H](F)C2)c(n1)C(F)F |r|
N[C@H]1CCCN(C1)c1ncc2ccc(C(=O)Nc3ccsc3C#N)n2n1 |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ncc2ccc(C(=O)Nc3cscc3C#N)n2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CNC[C@H](F)C4)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CNC[C@H](F)C4)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H](N)C[C@@H](F)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H](N)C[C@H](F)C2)c(n1)C(F)F |r|
N[C@@H]1[C@@H](CCCC1(F)F)Nc1ncc2ccc(C(=O)Nc3ccsc3C#N)n2n1 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@H]4CNC[C@@H](F)C4)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@H]4CNC[C@@H](F)C4)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CNC[C@@H](F)C4)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@H]4CNC[C@H](F)C4)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H](N)C[C@H](F)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CNC[C@@H](F)C4)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@H]4CNC[C@H](F)C4)nn23)c(n1)C(F)F |r|
N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3cnn(CCO)c3)n2n1 |r|
COCCn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)cn1 |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)cn1 |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@@H]3CC[C@H]2CN3)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C(F)(F)F |r|
CC(C)Oc1cc2c(OCC3CNC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@H]3CCCNC3)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCCNC3)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CCCNC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@H]3[C@@H]4CNC[C@H]34)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3COC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CCCC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OC(C)C3CCC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CCC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CCOC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CCCO3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3(C)COC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3(C)CCC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(O[C@@H]3CC4CCC3C4)ccnc2cc1C(N)=O |r,TLB:8:9:15:13.12|
CC(C)Oc1cc2c(OC[C@H]3CCCO3)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC3CC4CCC3CC4)ccnc2cc1C(N)=O |TLB:8:9:12.13:15.16,(-5.62,2.47,;-4.28,1.7,;-2.95,2.47,;-4.28,.16,;-2.95,-.61,;-1.61,.16,;-.28,-.61,;1.05,.16,;1.05,1.7,;1.82,3.04,;3.02,2.25,;5.02,2.37,;5.62,.83,;4.35,1.56,;3.53,3.15,;4.17,4.46,;5.53,3.74,;2.39,-.61,;2.39,-2.15,;1.05,-2.92,;-.28,-2.15,;-1.61,-2.92,;-2.95,-2.15,;-4.28,-2.92,;-5.62,-2.15,;-4.28,-4.46,)|
CC(C)Oc1cc2c(OC3C4C5C[C@H]3CC45)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3COCO3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(O[C@@H]3CC4CC[C@H]3C4)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC3CC[C@@H]4CNC[C@H]34)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC3CC[C@@H]4CNC[C@H]34)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3CCN(C3)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCN(C3)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CCOC3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CCCCO3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N
CC(C)Oc1cc2c(OCC3CCCS(=O)(=O)N3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@H]3CCCNC3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3COC(=O)N3C)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@H]3CCCO3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCCN3C)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3CCC(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CCN(CC3)C(C)=O)nccc2cc1C(N)=O
CO[C@H]1CNC[C@@H]1COc1nccc2cc(C(N)=O)c(OC(C)C)cc12 |r|
CC(C)Oc1cc2c(OCC3CNC(=O)O3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CCOCC3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3CNCCO3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(F)CCNCC3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CNCCO3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@]34C[C@@H]3CNC4)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3CCCN3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3[C@@H]4CNC[C@H]34)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CCCCN3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CN(C)CCO3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CCCN(C)C3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@H]3CNC[C@@H]3C(F)(F)F)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3CNCCO3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCCNC3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3CCNC3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3CCNC3)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CNCCO3)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC3CCC33CCNCC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@H]3CNCCO3)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(F)CCNCC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@]3(C)CNC[C@@H]3C)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(C)CCNCC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@H]3CNC(=O)O3)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(C)CCCNC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CN(C3)C(=O)CC#N)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@H]3CCCN3C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CCN(CC3)C(=O)CC#N)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3CCCN3C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3COCCN3C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(CCCC3)NC(=O)CC#N)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@H]3CCN(C3)C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCCN(C3)C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3C[C@H]4C[C@@H]3CN(C4)C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CN(C3)C(=O)CC#N)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3CCN(C3)C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC3CC[C@@H]4CN(C[C@H]34)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC3C[C@@H]4CN[C@H]3C4)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCN3C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@H]3C[C@@H]4C[C@H]3CN4C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CN(CCO3)C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(F)CCN(CC3)C(=O)CC#N)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@]34C[C@@H]3CN(C4)C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3CN(CCO3)C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@H]3CC[C@@H]4CN(C[C@H]34)C(=O)CC#N)nccc2cc1C(N)=O |r|
CC[C@H]1CN(C[C@@H]1COc1nccc2cc(C(N)=O)c(OC(C)C)cc12)C(=O)CC#N |r|
CC(C)Oc1cc2c(O[C@H]3C[C@@H]4C[C@H]3CN(C4)C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(C)CCN(C3)C(=O)CC#N)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3COCCN3C(=O)CC#N)nccc2cc1C(N)=O |r|
CO[C@H]1CN(C[C@@H]1COc1nccc2cc(C(N)=O)c(OC(C)C)cc12)C(=O)CC#N |r|
CC(C)Oc1cc2c(OC[C@H]3CN(C[C@@H]3C)C(=O)CC#N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(C)CCN(CC3)C(=O)CC#N)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@H]3[C@@H]4CN(C[C@H]34)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3CN(C[C@@H]3C)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3C[C@H]4C[C@@H]3CN(C4)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@]34C[C@@H]3CN(C4)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(C)CCN(CC3)C(=O)CC#N)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(O[C@@H]3C[C@@H]4C[C@H]3CN(C4)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3CCCN(C3)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(F)CCN(CC3)C(=O)CC#N)ccnc2cc1C(N)=O
CO[C@H]1CN(C[C@@H]1COc1ccnc2cc(C(N)=O)c(OC(C)C)cc12)C(=O)CC#N |r|
CC(C)Oc1cc2c(OC[C@@H]3CCCN(C3)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CN(CCO3)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CCCCN3C(=O)CC#N)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CCN(CC3)C(=O)CC#N)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(O[C@H]3C[C@@H]4C[C@H]3CN4)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3C[C@H]4C[C@@H]3CN4)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C#N |r|
CC(C)Oc1cc2c(OC[C@@H]3COC(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCCC(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(C)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3C[C@@H]4CN[C@H]3C4)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@H]3C[C@@H]4CN[C@H]3C4)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(C)(C)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CNC(=O)C3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3CC(F)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCNC3)cccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3COCC(=O)N3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3CCNC3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3NC(=O)C4CCCCC34)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3CCN3)nccc2cc1C(N)=O |r|
NC(=O)c1cc2ccnc(OC[C@@H]3CCC(=O)N3)c2cc1OC1CCC1 |r|
COc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N
CCOc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N
CC(C)Oc1cc2c(OC[C@]34CCC[C@H]3CNC4)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@@H](C)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@H](C)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@]3(C)CCC(=O)N3)nccc2cc1C(N)=O |r|
COCC1C[C@@H](COc2nccc3cc(C(N)=O)c(OC(C)C)cc23)NC1=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)nccc2cc1C(N)=O |r|
NC(=O)c1cc2ccnc(OC[C@@H]3CCC(=O)N3)c2cc1OC(F)F |r|
CC(C)Oc1cc2c(O[C@@H]3CC[C@H]4CC(=O)N[C@@H]34)nccc2cc1C(N)=O |r|
CC[C@]1(F)C[C@@H](COc2nccc3cc(C(N)=O)c(OC(C)C)cc23)NC1=O |r|
CC[C@@]1(F)C[C@@H](COc2nccc3cc(C(N)=O)c(OC(C)C)cc23)NC1=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@@](C)(F)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@](C)(F)C(=O)N3)nccc2cc1C(N)=O |r|
CC[C@H]1C[C@@H](COc2nccc3cc(C(N)=O)c(OC(C)C)cc23)NC1=O |r|
CC[C@@H]1C[C@@H](COc2nccc3cc(C(N)=O)c(OC(C)C)cc23)NC1=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@@H](C(=O)N3)C(C)(C)O)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CCNC(=O)C3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@]34C[C@H]3CNC4)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)C[C@@H]3C)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CCC(=O)NC3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CCS(=O)(=O)N3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3C[C@@H](F)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@H](F)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(CO)CC(F)C(=O)N3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3CC(CO)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)C[C@@H]3N)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@H](O)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@@H](CC(F)(F)F)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@H](CC(F)(F)F)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@]3(CO)CCC(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@]3(CO)CCC(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)C[C@@H]3C(F)(F)F)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@H](C)[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H](C)[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3COCCN3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CCCN3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3COCCN3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@]34C[C@H]3CCNC4)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@]34C[C@@H]3CCNC4)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@](F)(CO)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@@](F)(CO)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@H](CO)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@@H](CO)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@@H]4OC(C)(C)O[C@H]34)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(F)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(O)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@](F)(C(=O)N3)C(C)(C)O)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@@H]4C[C@H]34)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@]34C[C@@H]3C(=O)NC4)nccc2cc1C(N)=O |r|
CC(C)Oc1c(F)c2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@](C)(F)C(=O)N3)nccc2cc1C(N)=O |r|
NC(=O)c1cc2ccnc(OC[C@@H]3CCC(=O)N3)c2cc1OC(F)(F)F |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@@H](O)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3C)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(C(=O)N3)C3(O)CCOCC3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@@](O)(CC(F)(F)F)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)C(F)(F)[C@H]3C)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@](O)(CC(F)(F)F)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CN(C)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCC[C@]33CCC(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#N)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3CCNC3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3C[C@@H](C(=O)N3)C3(O)COC3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@H](C(=O)N3)C3(O)COC3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@](C)(F)C(=O)N3)cccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(CN)c2cc1C(N)=O |r|
NC(=O)c1cc2ccnc(OC[C@@H]3CCC(=O)N3)c2cc1OC1COC1 |r|
CC(C)(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC(C)C)cc23)NC(=O)C1(F)F |r|
CC(C)Oc1cc2c(OC[C@@H]3CNC(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@@H]3C)nccc2cc1C(N)=O |r|
NC(=O)c1cc2ccnc(OC[C@@H]3CCC(=O)N3)c2cc1OCC1CC1 |r|
COc1cc2c(OC[C@@H]3C[C@@](F)(CO)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3CCC(=O)N3)cncc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@](F)(CO)[C@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3CCC(=O)N3)ncnc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@](F)(CO)[C@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)C[C@H]3C)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)C[C@@H]3CO)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@@H]4CN(C)C[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)C[C@@H]3CO)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)C[C@H]3C)cccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)cccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)C[C@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)ccc(F)c2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)CC3(C)C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3NC(=O)CC3(C)C)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3NC(=O)CC3(C)C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@H](CC#N)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@@H](CC#N)C(=O)N3)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@@H]4CNC[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)O[C@@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)O[C@@H]3C)cccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3COC(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3COC(=O)N3)nccc2cc1C(N)=O |r|
CO[C@H]1C[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC1=O |r|
CO[C@@H]1C[C@@H](COc2cccc3cc(C(N)=O)c(OC)cc23)NC1=O |r|
COc1cc2c(OC[C@@H]3COC(=O)N3)cccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)O[C@H]3C)cccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3CNC(=O)O3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)O[C@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@](C)(F)[C@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@](C)(F)[C@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3CN(C)C(=O)O3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@@](F)(CC(F)(F)F)C(=O)N3)cccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@](F)(CC(F)(F)F)C(=O)N3)cccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@H](C)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@@H](C)C(=O)N3)nccc2cc1C(N)=O |r|
CC[C@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
COc1cc2c(OC[C@@H]3CC4(CC4)C(=O)N3)nccc2cc1C(N)=O |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H](C)[C@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@H](C)[C@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)C[C@@H]3CF)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)ccnc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)C[C@H]3C=C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@H](F)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@@H](F)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H](C)[C@@H]3CF)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3CCC(=O)N3)nccc2cc1C(N)=O |r|
CC[C@@]1(F)C[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC1=O |r|
CC[C@]1(F)C[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC1=O |r|
COc1cc2c(OC[C@@H]3CC(Cc4ccccc4)C(=O)N3)nccc2cc1C(N)=O |r|
CC[C@]1(F)C[C@@H](COc2ccnc3cc(C(N)=O)c(OC)cc23)NC1=O |r|
CC[C@@]1(F)C[C@@H](COc2ccnc3cc(C(N)=O)c(OC)cc23)NC1=O |r|
COc1cc2c(OC[C@@H]3C[C@](F)(CF)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3CCC(=O)N3)ccnc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@H]4[C@@H]3C4(C)C)nccc2cc1C(N)=O |r|
[H][C@]12C[C@@]1([H])C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
COc1cc2c(OCC3(C)COCC(=O)N3)nccc2cc1C(N)=O
COc1cc2c(OCC3(C)COC(=O)N3)nccc2cc1C(N)=O
COc1cc2c(OC[C@@H]3C[C@@H](CC(F)(F)F)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@](C)(F)C(=O)N3)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3C[C@](C)(F)C(=O)N3)ccnc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@H](CC(F)(F)F)C(=O)N3)nccc2cc1C(N)=O |r|
[H][C@]12[C@H](C)[C@@]1([H])C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C#N |r|
COc1cc2c(OC[C@@H]3C[C@@](F)(CCF)C(=O)N3)ccnc2cc1C(N)=O |r|
COc1cc2c(OCC3C[C@@H](F)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@@](F)(CCF)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3NC(=O)C[C@@H]3C)nccc2cc1C(N)=O |r|
CCOc1cc2c(OC[C@@H]3C[C@](C)(F)C(=O)N3)nccc2cc1C(N)=O |r|
CCOc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)ccnc2cc1C(N)=O |r|
CCOc1cc2c(OC[C@H]3NC(=O)[C@@H]4C[C@H]34)ccnc2cc1C(N)=O |r|
C[C@H]1[C@@H](COc2ccnc3cc(C(N)=O)c(OC4CC4)cc23)NC(=O)[C@H]1F |r|
CCOc1cc2c(OC[C@H]3NC(=O)[C@@H]4C[C@H]34)nccc2cc1C(N)=O |r|
CCOc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@@](F)(C4CCOCC4)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@H](C)[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@@H](C4CCOCC4)C(=O)N3)nccc2cc1C(N)=O |r|
CCOc1cc2c(OC[C@@H]3C[C@](C)(F)C(=O)N3)ccnc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3NC(=O)[C@H](F)[C@@H]3C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@H](C(=O)N3)C3(O)CCOCC3)nccc2cc1C(N)=O |r|
[#6]-[#8]-c1cc2c(-[#8]-[#6]-[#6@@H]-3-[#6]\[#6](=[#6]-4/[#6]-[#8]-[#6]-4)-[#6](=O)-[#7]-3)nccc2cc1-[#6](-[#7])=O |r|
CCOc1cc2c(OC[C@@H]3CCC(=O)N3)ccnc2cc1C(N)=O |r|
COC[C@]1(F)C[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC1=O |r|
CCOc1cc2c(OC[C@@H]3C[C@@](F)(CF)C(=O)N3)ccnc2cc1C(N)=O |r|
CCOc1cc2c(OC[C@@H]3C[C@@](F)(CF)C(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4C[C@]34C)nccc2cc1C(N)=O |r|
CC[C@H]1[C@H](NC(=O)[C@H]1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC
COc1cc2c(OC[C@H]3NC(=O)[C@]4(C)C[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@@H](C4COC4)C(=O)N3)nccc2cc1C(N)=O |r|
CC[C@]12C[C@H]1C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
CC[C@H]1[C@H]2[C@@H]1C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
CC[C@@H]1[C@H]2[C@@H]1C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
COc1cc2c(OC[C@@H]3CCCC(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@H](CF)[C@H]34)cccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](CF)[C@H]34)cccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)C[C@H]3C3CC3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4C(CCF)[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@H]4C[C@@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4CC[C@H]34)nccc2cc1C(N)=O |r|
[H][C@]12[C@H](C)[C@@]1(F)C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)[C@H](C)[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@H]4[C@@H]3C4(Cl)Cl)nccc2cc1C(N)=O |r|
CCC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
COC[C@H]1[C@H]2[C@@H]1C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
COC[C@@H]1[C@H]2[C@@H]1C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](F)[C@H]34)nccc2cc1C(N)=O |r|
CC[C@H]1[C@@H](COc2ccnc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)C[C@H]34)ccnc2cc1C(N)=O |r|
NC(=O)c1cc2ccnc(OC[C@@H]3CCC(=O)N3)c2cc1OCC#C |r|
NC(=O)c1cc2ccnc(OC[C@@H]3CCC(=O)N3)c2cc1OC=C=C |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](C(F)F)[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](C)[C@H]34)c(Cl)cnc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)CC[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)[C@@H](C)[C@H]34)ccnc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](F)[C@H]34)ccnc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4C[C@H]34)ccnc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](CO)[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@H](CO)[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)C[C@@H]3C=C)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)CC33CC3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](CF)[C@H]34)ccnc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@H](F)[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@H]4[C@@H]3[C@]4(C)F)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@H]4[C@@H]3[C@@]4(C)F)nccc2cc1C(N)=O |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OCCOC)cc23)NC(=O)[C@H]1F |r|
COC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
CC[C@H]1[C@@H](COc2ncnc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1OC |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1OC |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)C1(F)F |r|
CC[C@@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r|
COC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)C1(F)F |r|
COC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
CO[C@H]1[C@@H](C)[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC1=O |r|
CO[C@@H]1[C@@H](C)[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC1=O |r|
COC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1O |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1O |r|
COc1cc2c(O[C@@H](C)[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)C[C@H]3CCF)nccc2cc1C(N)=O |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1N |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1N |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC(C)C)cc23)NC(=O)[C@H]1F |r|
CCOc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3CC)nccc2cc1C(N)=O |r|
CC[C@H]1[C@@H](COc2ncc(F)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)c(F)c23)NC(=O)[C@H]1F |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1ncc(F)c2cc(C(N)=O)c(OC)cc12 |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)c(F)c12 |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](C)[C@H]34)ncc(F)c2cc1C(N)=O |r|
COc1c(F)c2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](C)[C@H]34)nccc2cc1C(N)=O |r|
COc1c(F)c2c(OC[C@H]3NC(=O)C[C@H]3CF)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3CF)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C3CC3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C3CC3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3CCF)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cn(C)cn3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cn(C)c(C)n3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3c[nH]c(C)n3)c2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3CF)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3nccc(C)n3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3ncc(Cl)cn3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3ccnc(=O)[nH]3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3ccnc(C)n3)c2cc1C(N)=O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)COC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(1.64,4.39,;1.64,2.85,;2.97,2.08,;.3,2.08,;.3,.54,;1.64,-.23,;1.64,-1.77,;.3,-2.54,;-1.03,-1.77,;-1.03,-.23,;-2.36,.54,;-2.36,2.08,;-3.7,-.23,;-5.03,.54,;-5.03,2.08,;-6.36,2.85,;-7.7,2.08,;-7.7,.54,;-6.36,-.23,;-9.03,2.85,;-10.37,2.08,;-9.03,4.39,;-10.37,3.62,;2.97,-2.54,;3.13,-4.07,;4.64,-4.39,;5.41,-3.06,;6.91,-2.74,;7.39,-1.27,;6.36,-.13,;4.85,-.45,;4.38,-1.91,;8.88,-.87,;10.37,-.48,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccnc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CC2(C1)CC(C2)C(C)(C)O)-c1ccc2cc(cnn12)C#N |(3.52,1.76,;2.19,2.53,;2.19,4.07,;.86,1.76,;.86,.22,;2.19,-.55,;2.19,-2.09,;.86,-2.86,;-.48,-2.09,;-.48,-.55,;-1.81,.22,;-1.81,1.76,;-3.14,-.55,;-4.48,.22,;-4.88,1.71,;-6.36,1.31,;-5.97,-.18,;-6.76,2.8,;-8.25,2.4,;-7.85,.91,;-9.58,3.17,;-10.92,2.4,;-9.58,4.71,;-10.92,3.94,;3.52,-2.86,;3.68,-4.39,;5.19,-4.71,;5.96,-3.38,;7.47,-3.06,;7.94,-1.59,;6.91,-.45,;5.41,-.77,;4.93,-2.23,;9.43,-1.19,;10.92,-.79,)|
CC(C)Nc1cc(ncc1C(=O)NC1CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NC1COC1)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CNC(=O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCC1CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C(N)=O
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NS(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@H](N)CC1)-c1ccc2cc(cnn12)C#N |r,wU:16.17,wD:13.13,(.97,4.39,;.97,2.85,;2.3,2.08,;-.36,2.08,;-.36,.54,;.97,-.23,;.97,-1.77,;-.36,-2.54,;-1.7,-1.77,;-1.7,-.23,;-3.03,.54,;-3.03,2.08,;-4.36,-.23,;-5.7,.54,;-5.7,2.08,;-7.03,2.85,;-8.37,2.08,;-9.7,2.85,;-8.37,.54,;-7.03,-.23,;2.3,-2.54,;2.47,-4.07,;3.97,-4.39,;4.74,-3.06,;6.25,-2.74,;6.72,-1.27,;5.69,-.13,;4.19,-.45,;3.71,-1.91,;8.21,-.87,;9.7,-.48,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(2.3,4.39,;2.3,2.85,;3.64,2.08,;.97,2.08,;.97,.54,;2.3,-.23,;2.3,-1.77,;.97,-2.54,;-.36,-1.77,;-.36,-.23,;-1.7,.54,;-1.7,2.08,;-3.03,-.23,;-4.36,.54,;-4.36,2.08,;-5.7,2.85,;-7.03,2.08,;-7.03,.54,;-5.7,-.23,;-8.37,2.85,;-9.7,2.08,;-11.03,2.85,;-9.7,.54,;3.64,-2.54,;3.8,-4.07,;5.31,-4.39,;6.08,-3.06,;7.58,-2.74,;8.06,-1.27,;7.03,-.13,;5.52,-.45,;5.04,-1.91,;9.55,-.87,;11.03,-.48,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2CCC(C1)N2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2CCC(C1)N2S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CC(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C1=NNNN1 |r,t:32|
CC(C)Nc1cc(ncc1C(=O)NC1CC1CO)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)CC1CC1CO)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCS(N)(=O)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O)-c1ccc2cc(cnn12)C#N
CNC(=O)[C@H]1CCC(CC1)NC(=O)c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N |r,wU:4.3,(-11.03,2.85,;-9.7,2.08,;-8.37,2.85,;-8.37,4.39,;-7.03,2.08,;-5.7,2.85,;-4.36,2.08,;-4.36,.54,;-5.7,-.23,;-7.03,.54,;-3.03,-.23,;-1.7,.54,;-1.7,2.08,;-.36,-.23,;-.36,-1.77,;.97,-2.54,;2.3,-1.77,;2.3,-.23,;.97,.54,;.97,2.08,;2.3,2.85,;2.3,4.39,;3.64,2.08,;3.64,-2.54,;3.8,-4.07,;5.31,-4.39,;6.08,-3.06,;7.58,-2.74,;8.06,-1.27,;7.03,-.13,;5.52,-.45,;5.04,-1.91,;9.55,-.87,;11.03,-.48,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCNCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C2CC1CNC2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C2CCC1CNC2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C2CC1CN(C2)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C2CCC1CN(C2)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H]2C[C@H]1CN2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NS(C)(=O)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NC1(C)COC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NC1CCOC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCOC1)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(N)=O)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1COC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NN1CCOCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2CCC(C1)O2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |r|
CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCOC[C@@H]1F)-c1ccc2cc(cnn12)C#N |r|
Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)nn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnsc1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)C1CC2(CC(C2)NC(=O)c2cnc(cc2NC(C)C)-c2ccc3cc(cnn23)C#N)C1
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCCC(O)C1)-c1ccc2cc(cnn12)C#N |r|
COC1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NNC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NNCC(C)(C)O)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCC1CS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCC1CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCS(=O)(=O)CC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CS(=O)(=O)C1)-c1ccc2cc(cnn12)C(N)=O
CC(C)Nc1cc(ncc1C(=O)NCC1CS(=O)(=O)C1)-c1ccc2cc(cnn12)C(N)=O
CC(C)(O)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOC(C)(C)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(COC2)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)C1COC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)F)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCCCS(C)(=O)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)C1COC1)-c1ccc2cc(cnn12)C#N
COC(C)(C)CCNC(=O)c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCNS(C)(=O)=O)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CCC(C)(O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:13.13,(2.3,2.08,;.97,2.85,;.97,4.39,;-.36,2.08,;-.36,.54,;.97,-.23,;.97,-1.77,;-.36,-2.54,;-1.7,-1.77,;-1.7,-.23,;-3.03,.54,;-3.03,2.08,;-4.36,-.23,;-5.7,.54,;-7.03,-.23,;-8.37,.54,;-8.37,2.08,;-9.7,2.85,;-8.37,3.62,;-7.03,2.85,;-5.7,2.08,;2.3,-2.54,;2.47,-4.07,;3.97,-4.39,;4.74,-3.06,;6.25,-2.74,;6.72,-1.27,;5.69,-.13,;4.19,-.45,;3.71,-1.91,;8.21,-.87,;9.7,-.48,)|
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCS(C)(=O)=O)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2CCC1O2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C[C@H]2CC[C@@H]1O2)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NC1CC2(COC2)C1)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(O)CC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CN(C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(CCC2)C1)-c1ccc2cc(cnn12)C#N |r|
COCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC2CCC1C2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCS(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCCS(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
Cn1cc(CNc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCc1c[nH]cn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC[C@H]1CCC(=O)N1)-c1ccc2cc(cnn12)C#N |r|
Cc1noc(C)c1CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(C1)C1COC1)-c1ccc2cc(cnn12)C#N |r|
COCC1(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H]2C[C@H]1CN2S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CN1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)C1CC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCC(F)(F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-c1ccc2cc(cnn12)C#N |r|
COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1C[C@@](C)(O)C1)-c1ccc2cc(cnn12)C#N |r,wU:13.13,15.17,wD:15.16,(1.91,2.08,;.58,2.85,;.58,4.39,;-.75,2.08,;-.75,.54,;.58,-.23,;.58,-1.77,;-.75,-2.54,;-2.09,-1.77,;-2.09,-.23,;-3.42,.54,;-3.42,2.08,;-4.75,-.23,;-6.09,.54,;-7.58,.14,;-7.97,1.63,;-9.31,2.4,;-7.97,3.17,;-6.49,2.03,;1.91,-2.54,;2.07,-4.07,;3.58,-4.39,;4.35,-3.06,;5.86,-2.74,;6.33,-1.27,;5.3,-.13,;3.8,-.45,;3.32,-1.91,;7.82,-.87,;9.31,-.48,)|
CC(C)Nc1cc(ncc1C(=O)NCC1CCS(=O)(=O)CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCC1(O)CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NC1CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)N[C@H]1C[C@@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:15.18,wD:13.13,(3.25,2.08,;1.91,2.85,;1.91,4.39,;.58,2.08,;.58,.54,;1.91,-.23,;1.91,-1.77,;.58,-2.54,;-.75,-1.77,;-.75,-.23,;-2.09,.54,;-2.09,2.08,;-3.42,-.23,;-4.75,.54,;-5.15,2.03,;-6.64,1.63,;-6.24,.14,;-7.97,2.4,;-9.31,1.63,;-10.64,2.4,;-9.31,.09,;3.25,-2.54,;3.41,-4.07,;4.91,-4.39,;5.68,-3.06,;7.19,-2.74,;7.67,-1.27,;6.64,-.13,;5.13,-.45,;4.65,-1.91,;9.15,-.87,;10.64,-.48,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(4.41,2.08,;3.07,2.85,;3.07,4.39,;1.74,2.08,;1.74,.54,;3.07,-.23,;3.07,-1.77,;1.74,-2.54,;.41,-1.77,;.41,-.23,;-.93,.54,;-.93,2.08,;-2.26,-.23,;-3.59,.54,;-3.59,2.08,;-4.93,2.85,;-6.26,2.08,;-6.26,.54,;-4.93,-.23,;-7.6,2.85,;-8.93,2.08,;-8.93,.54,;-10.26,2.85,;-11.03,4.18,;-11.8,2.85,;4.41,-2.54,;4.57,-4.07,;6.08,-4.39,;6.85,-3.06,;8.35,-2.74,;8.83,-1.27,;7.8,-.13,;6.29,-.45,;5.81,-1.91,;10.32,-.87,;11.8,-.48,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(4.97,1.7,;3.64,2.47,;3.64,4.01,;2.3,1.7,;2.3,.16,;3.64,-.61,;3.64,-2.15,;2.3,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,2.47,;-5.7,1.7,;-5.7,.16,;-4.36,-.61,;-7.03,2.47,;-8.37,1.7,;-8.37,.16,;-9.7,2.47,;-9.7,4.01,;-11.03,4.78,;-12.37,4.01,;-12.37,2.47,;-11.03,1.7,;4.97,-2.92,;5.13,-4.46,;6.64,-4.78,;7.41,-3.44,;8.92,-3.12,;9.39,-1.66,;8.36,-.51,;6.85,-.83,;6.38,-2.3,;10.88,-1.26,;12.37,-.86,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(4.3,2.08,;2.97,2.85,;2.97,4.39,;1.64,2.08,;1.64,.54,;2.97,-.23,;2.97,-1.77,;1.64,-2.54,;.3,-1.77,;.3,-.23,;-1.03,.54,;-1.03,2.08,;-2.36,-.23,;-3.7,.54,;-3.7,2.08,;-5.03,2.85,;-6.36,2.08,;-6.36,.54,;-5.03,-.23,;-7.7,2.85,;-9.03,2.08,;-9.03,.54,;-10.37,2.85,;-11.7,2.08,;-10.37,4.39,;-11.7,3.62,;4.3,-2.54,;4.47,-4.07,;5.97,-4.39,;6.74,-3.06,;8.25,-2.74,;8.72,-1.27,;7.69,-.13,;6.19,-.45,;5.71,-1.91,;10.21,-.87,;11.7,-.48,)|
CCn1cnc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn2CCCCc12)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOC1(C)C)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC12CCC(CC1)(CC2)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NC12CC(C1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N
COCCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C1(C)COC1)-c1ccc2cc(cnn12)C#N |r,wU:16.20,(4.58,2.08,;3.25,2.85,;3.25,4.39,;1.91,2.08,;1.91,.54,;3.25,-.23,;3.25,-1.77,;1.91,-2.54,;.58,-1.77,;.58,-.23,;-.75,.54,;-.75,2.08,;-2.09,-.23,;-3.42,.54,;-3.42,2.08,;-4.75,2.85,;-6.09,2.08,;-6.09,.54,;-4.75,-.23,;-7.42,2.85,;-8.76,2.08,;-8.76,.54,;-10.09,2.85,;-9,3.94,;-10.49,4.34,;-11.98,3.94,;-11.58,2.45,;4.58,-2.54,;4.74,-4.07,;6.25,-4.39,;7.02,-3.06,;8.52,-2.74,;9,-1.27,;7.97,-.13,;6.46,-.45,;5.99,-1.91,;10.49,-.87,;11.98,-.48,)|
CC(C)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:16.20,(4.3,2.08,;2.97,2.85,;2.97,4.39,;1.64,2.08,;1.64,.54,;2.97,-.23,;2.97,-1.77,;1.64,-2.54,;.3,-1.77,;.3,-.23,;-1.03,.54,;-1.03,2.08,;-2.36,-.23,;-3.7,.54,;-3.7,2.08,;-5.03,2.85,;-6.36,2.08,;-6.36,.54,;-5.03,-.23,;-7.7,2.85,;-9.03,2.08,;-9.03,.54,;-10.37,2.85,;-11.7,2.08,;-10.37,4.39,;-11.7,3.62,;4.3,-2.54,;4.47,-4.07,;5.97,-4.39,;6.74,-3.06,;8.25,-2.74,;8.72,-1.27,;7.69,-.13,;6.19,-.45,;5.71,-1.91,;10.21,-.87,;11.7,-.48,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(C)(F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-.75,;-8.37,.02,;-8.37,1.56,;-9.7,.79,;-7.03,-.75,;-7.03,-2.29,;-5.7,.02,;-4.36,-.75,;-3.03,.02,;-3.03,1.56,;-1.7,-.75,;-1.7,-2.29,;-.36,-3.06,;.97,-2.29,;.97,-.75,;-.36,.02,;-.36,1.56,;.97,2.33,;2.46,1.93,;2.86,3.42,;4.19,4.19,;2.46,4.91,;1.37,3.82,;2.3,-3.06,;2.47,-4.59,;3.97,-4.91,;4.74,-3.58,;6.25,-3.26,;6.72,-1.79,;5.69,-.65,;4.19,-.97,;3.71,-2.43,;8.21,-1.39,;9.7,-.99,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CC1(F)F)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)Nc1cc(ncc1C(=O)NC1CCS(=O)(=O)CC1)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C#N)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C#N)-c1ccc2cc(cnn12)C#N |r|
Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)sn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccccc1C#N)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nnc(o1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncnc1)-c1ccc2cc(cnn12)C#N |r|
Cc1nnc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)s1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1[C@H]2COC[C@@H]12)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1[C@H]2COC[C@@H]12)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CC2(CC(O)C2)C1)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCOC[C@H]1F)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCOC[C@@H]1F)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CC2(C1)CC(=O)C2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NC1CC2(C1)CC(C)(O)C2)-c1ccc2cc(cnn12)C#N |(2.96,2.08,;1.63,2.85,;1.63,4.39,;.29,2.08,;.29,.54,;1.63,-.23,;1.63,-1.77,;.29,-2.54,;-1.04,-1.77,;-1.04,-.23,;-2.37,.54,;-2.37,2.08,;-3.71,-.23,;-5.04,.54,;-5.44,2.03,;-6.93,1.63,;-6.53,.14,;-7.33,3.12,;-8.81,2.72,;-9.58,4.05,;-10.35,2.72,;-8.42,1.23,;2.96,-2.54,;3.12,-4.07,;4.63,-4.39,;5.4,-3.06,;6.9,-2.74,;7.38,-1.27,;6.35,-.13,;4.84,-.45,;4.37,-1.91,;8.87,-.87,;10.35,-.48,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC(C)(O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,(-9.7,-1,;-8.37,-.23,;-8.37,1.31,;-9.7,.54,;-7.03,-1,;-7.03,-2.54,;-5.7,-.23,;-4.36,-1,;-3.03,-.23,;-3.03,1.31,;-1.7,-1,;-1.7,-2.54,;-.36,-3.31,;.97,-2.54,;.97,-1,;-.36,-.23,;-.36,1.31,;.97,2.08,;.97,3.62,;2.3,4.39,;3.64,3.62,;4.97,4.39,;3.64,5.16,;3.64,2.08,;2.3,1.31,;2.3,-3.31,;2.47,-4.84,;3.97,-5.16,;4.74,-3.83,;6.25,-3.51,;6.72,-2.04,;5.69,-.9,;4.19,-1.22,;3.71,-2.68,;8.21,-1.64,;9.7,-1.25,)|
CN1CCC(CC1=O)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)C(=O)c1ccoc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCc1ccc(=O)[nH]c1)-c1ccc2cc(cnn12)C#N
COC1(C)CN(C1)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(C)(O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H](C1)OC(=O)NC1CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.22,wD:17.17,(-9.72,-.39,;-8.38,.38,;-8.38,1.92,;-9.72,1.15,;-7.05,-.39,;-7.05,-1.93,;-5.71,.38,;-4.38,-.39,;-3.05,.38,;-3.05,1.92,;-1.71,-.39,;-1.71,-1.93,;-.38,-2.7,;.95,-1.93,;.95,-.39,;-.38,.38,;-.38,1.92,;.95,2.69,;2.44,2.29,;2.84,3.78,;1.35,4.18,;4.17,4.55,;5.51,3.78,;5.51,2.24,;6.84,4.55,;8.18,3.78,;8.95,2.45,;9.72,3.78,;2.29,-2.7,;2.45,-4.23,;3.96,-4.55,;4.73,-3.22,;6.23,-2.9,;6.71,-1.43,;5.68,-.29,;4.17,-.61,;3.69,-2.07,;8.2,-1.03,;9.68,-.63,)|
CN(C)C(=O)O[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:21.23,6.5,wD:8.10,(8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;5.52,1.47,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CNC(=O)O[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:20.22,5.4,wD:7.9,(8.19,3.78,;6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)OC(=O)NC1CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,20.24,wD:17.17,(-10.11,-.61,;-8.77,.16,;-8.77,1.7,;-10.11,.93,;-7.44,-.61,;-7.44,-2.15,;-6.1,.16,;-4.77,-.61,;-3.44,.16,;-3.44,1.7,;-2.1,-.61,;-2.1,-2.15,;-.77,-2.92,;.56,-2.15,;.56,-.61,;-.77,.16,;-.77,1.7,;.56,2.47,;1.9,1.7,;3.23,2.47,;3.23,4.01,;1.9,4.78,;.56,4.01,;4.56,4.78,;5.9,4.01,;5.9,2.47,;7.23,4.78,;8.57,4.01,;9.34,2.67,;10.11,4.01,;1.9,-2.92,;2.06,-4.46,;3.56,-4.78,;4.33,-3.44,;5.84,-3.12,;6.32,-1.66,;5.29,-.51,;3.78,-.83,;3.3,-2.3,;7.8,-1.26,;9.29,-.86,)|
CN(C)C(=O)O[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.25,6.5,wD:9.12,(8.97,3.24,;7.64,4.01,;7.64,5.55,;6.31,3.24,;6.31,1.7,;4.97,4.01,;3.64,3.24,;3.64,1.7,;2.3,.93,;.97,1.7,;.97,3.24,;2.3,4.01,;-.36,.93,;-.36,-.61,;.97,-1.38,;.97,-2.92,;-.36,-3.69,;-1.7,-2.92,;-1.7,-1.38,;-3.03,-.61,;-3.03,.93,;-4.36,-1.38,;-5.7,-.61,;-7.03,-1.38,;-7.03,-2.92,;-8.37,-.61,;-9.7,-1.38,;-8.37,.93,;-9.7,.16,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|
CNC(=O)O[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,5.4,wD:8.11,(8.97,4.01,;7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,4.78,;3.64,4.01,;3.64,2.47,;2.3,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;-.36,1.7,;-.36,.16,;.97,-.61,;.97,-2.15,;-.36,-2.92,;-1.7,-2.15,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,-.61,;-5.7,.16,;-7.03,-.61,;-7.03,-2.15,;-8.37,.16,;-9.7,-.61,;-8.37,1.7,;-9.7,.93,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](CC1)OC(=O)NC1CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,wD:17.17,20.24,(-10.11,-.61,;-8.77,.16,;-8.77,1.7,;-10.11,.93,;-7.44,-.61,;-7.44,-2.15,;-6.1,.16,;-4.77,-.61,;-3.44,.16,;-3.44,1.7,;-2.1,-.61,;-2.1,-2.15,;-.77,-2.92,;.56,-2.15,;.56,-.61,;-.77,.16,;-.77,1.7,;.56,2.47,;1.9,1.7,;3.23,2.47,;3.23,4.01,;1.9,4.78,;.56,4.01,;4.56,4.78,;5.9,4.01,;5.9,2.47,;7.23,4.78,;8.57,4.01,;9.34,2.67,;10.11,4.01,;1.9,-2.92,;2.06,-4.46,;3.56,-4.78,;4.33,-3.44,;5.84,-3.12,;6.32,-1.66,;5.29,-.51,;3.78,-.83,;3.3,-2.3,;7.8,-1.26,;9.29,-.86,)|
CN(C)C(=O)O[C@@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.25,wD:9.12,6.5,(8.97,3.24,;7.64,4.01,;7.64,5.55,;6.31,3.24,;6.31,1.7,;4.97,4.01,;3.64,3.24,;3.64,1.7,;2.3,.93,;.97,1.7,;.97,3.24,;2.3,4.01,;-.36,.93,;-.36,-.61,;.97,-1.38,;.97,-2.92,;-.36,-3.69,;-1.7,-2.92,;-1.7,-1.38,;-3.03,-.61,;-3.03,.93,;-4.36,-1.38,;-5.7,-.61,;-7.03,-1.38,;-7.03,-2.92,;-8.37,-.61,;-9.7,-1.38,;-8.37,.93,;-9.7,.16,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|
CNC(=O)O[C@@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,wD:8.11,5.4,(8.97,4.01,;7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,4.78,;3.64,4.01,;3.64,2.47,;2.3,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;-.36,1.7,;-.36,.16,;.97,-.61,;.97,-2.15,;-.36,-2.92,;-1.7,-2.15,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,-.61,;-5.7,.16,;-7.03,-.61,;-7.03,-2.15,;-8.37,.16,;-9.7,-.61,;-8.37,1.7,;-9.7,.93,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;2.46,2.29,;2.86,3.78,;4.19,4.55,;1.37,4.18,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCc1cccnc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCc1ccccn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)-c1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC(CC1)C(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;.97,3.24,;2.3,4.01,;3.64,3.24,;3.64,1.7,;2.3,.93,;4.97,4.01,;4.97,5.55,;6.31,3.24,;6.31,1.7,;7.64,.93,;8.97,1.7,;8.97,3.24,;7.64,4.01,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC(CC1)C(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;.97,3.24,;2.3,4.01,;3.64,3.24,;3.64,1.7,;2.3,.93,;4.97,4.01,;4.97,5.55,;6.31,3.24,;6.7,1.75,;8.19,2.15,;9.53,2.92,;9.53,1.38,;7.79,3.63,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1nc[nH]n1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1ncnn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1cc[nH]n1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r|
Cn1cnc(n1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1ccnn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCc1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)C1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.10,21.23,(7.64,4.01,;6.31,3.24,;4.97,4.01,;4.97,5.55,;3.64,3.24,;2.3,4.01,;.97,3.24,;.97,1.7,;2.3,.93,;3.64,1.7,;-.36,.93,;-.36,-.61,;.97,-1.38,;.97,-2.92,;-.36,-3.69,;-1.7,-2.92,;-1.7,-1.38,;-3.03,-.61,;-3.03,.93,;-4.36,-1.38,;-5.7,-.61,;-7.03,-1.38,;-7.03,-2.92,;-8.37,-.61,;-9.7,-1.38,;-8.37,.93,;-9.7,.16,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccnnc1)-c1ccc2cc(cnn12)C#N |r|
Cc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnccn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r|
Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cnc1F |r|
CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCC(O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CCC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCOC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCOC1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1Cc2ccc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)cc2C1 |r|
CC(=O)N1Cc2ccc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)cc2C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CNCC(F)(F)F)cc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCN(C1)C1COC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CN2CCCC2=O)cc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CN2CCOC2=O)cc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CNC(=O)C2CC2)cc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)C(=O)NCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CCC(=O)NCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CN2CC(F)(F)C2)cc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)[C@@H]1CCN(C1)C1COC1)-c1ccc2cc(cnn12)C#N |r|
Cc1ncc(o1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)[C@@H]1CCNC1)-c1ccc2cc(cnn12)C#N |r|
Cc1nnc(o1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
Cn1cncc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(=O)NC1(CC1)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
COC(=O)NC1(CC1)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CCNCC1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NC(C)(C)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(=O)NC(C)(C)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1cnco1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(OC(F)F)c1)-c1ccc2cc(cnn12)C#N |r|
Cc1nnc([nH]1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)-c1cnc[nH]1)-c1ccc2cc(cnn12)C#N |r|
CC(=O)NCc1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)-c1ncc[nH]1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncc(c1)C1CC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCNC1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CCC(C1)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
COC(=O)NCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncc(c1)C(F)F)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)C(F)F)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1ncco1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccnc1F)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1ncc[nH]1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CC(C1)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CNC1)-c1ccc2cc(cnn12)C#N |r|
Cc1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1c[nH]cn1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CCC(CC1)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCNCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)[C@H]1CCOC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CC2CN(C[C@H]2C1)C(N)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)[C@@H]1CCOC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CNCCC1(F)F)-c1ccc2cc(cnn12)C#N |r|
CC(=O)NCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
COC(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CN(C)C(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CN(C)S(=O)(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CN1CC2C[C@H](C[C@@H]2C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H]2CN(C[C@H]2C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@@H]2CNC[C@@H]2C1)-c1ccc2cc(cnn12)C#N |r|
CC(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@H]2CN(C[C@H]2C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H]2CNC[C@@H]2C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)N)-c1ccc2cc(cnn12)C#N |r|
CC(=O)N1CCC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCCN(C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCNC1)-c1ccc2cc(cnn12)C#N |r|
CC(=O)N1CCCC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCN(C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CN1CCC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CN1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCCC1O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@@H]1O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CN2CCC1C2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC2(CCC(=O)N2)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,(-9.7,-1.82,;-8.37,-1.05,;-8.37,.49,;-9.7,-.28,;-7.03,-1.82,;-7.03,-3.36,;-5.7,-1.05,;-4.36,-1.82,;-3.03,-1.05,;-3.03,.49,;-1.7,-1.82,;-1.7,-3.36,;-.36,-4.13,;.97,-3.36,;.97,-1.82,;-.36,-1.05,;-.36,.49,;.97,1.26,;.97,2.8,;2.3,3.57,;3.64,2.8,;5.04,2.17,;6.08,3.32,;5.31,4.65,;6.08,5.98,;3.8,4.33,;3.64,1.26,;2.3,.49,;2.3,-4.13,;2.47,-5.66,;3.97,-5.98,;4.74,-4.65,;6.25,-4.33,;6.72,-2.87,;5.69,-1.72,;4.19,-2.04,;3.71,-3.51,;8.21,-2.47,;9.7,-2.07,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CN2CCC1C2)-c1ccc2cc(cnn12)C#N |r|
COC(=O)CC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCNCC#N)-c1ccc2cc(cnn12)C#N
COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:5.4,wD:8.11,(8.31,4.01,;6.97,4.78,;5.64,4.01,;5.64,2.47,;4.3,4.78,;2.97,4.01,;2.97,2.47,;1.64,1.7,;.3,2.47,;.3,4.01,;1.64,4.78,;-1.03,1.7,;-1.03,.16,;.3,-.61,;.3,-2.15,;-1.03,-2.92,;-2.36,-2.15,;-2.36,-.61,;-3.7,.16,;-3.7,1.7,;-5.03,-.61,;-6.36,.16,;-7.7,-.61,;-9.03,-1.38,;1.64,-2.92,;1.8,-4.46,;3.3,-4.78,;4.07,-3.44,;5.58,-3.12,;6.06,-1.66,;5.03,-.51,;3.52,-.83,;3.04,-2.3,;7.54,-1.26,;9.03,-.86,)|
Cc1nnc(N[C@H]2CC[C@@H](CC2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)o1 |r,wU:23.25,6.5,wD:9.12,(9.99,3.65,;8.45,3.49,;7.68,2.15,;6.18,2.47,;6.02,4.01,;4.68,4.78,;3.35,4.01,;3.35,2.47,;2.02,1.7,;.68,2.47,;.68,4.01,;2.02,4.78,;-.65,1.7,;-.65,.16,;.68,-.61,;.68,-2.15,;-.65,-2.92,;-1.98,-2.15,;-1.98,-.61,;-3.32,.16,;-3.32,1.7,;-4.65,-.61,;-5.99,.16,;-7.32,-.61,;-7.32,-2.15,;-8.65,.16,;-9.99,-.61,;-8.65,1.7,;-9.99,.93,;2.02,-2.92,;2.18,-4.46,;3.68,-4.78,;4.45,-3.44,;5.96,-3.12,;6.44,-1.66,;5.41,-.51,;3.9,-.83,;3.42,-2.3,;7.92,-1.26,;9.41,-.86,;7.42,4.63,)|
COC(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:26.32,(11.64,4.01,;10.31,4.78,;8.97,4.01,;8.97,2.47,;7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,1.7,;3.64,2.47,;3.64,4.01,;4.97,4.78,;5.18,2.47,;4.77,4.01,;2.3,1.7,;2.3,.16,;3.64,-.61,;3.64,-2.15,;2.3,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,2.47,;-5.7,1.7,;-5.7,.16,;-4.36,-.61,;-7.03,2.47,;-8.37,1.7,;-8.37,.16,;-9.7,2.47,;-9.7,4.01,;-11.03,4.78,;-12.37,4.01,;-12.37,2.47,;-11.03,1.7,;4.97,-2.92,;5.13,-4.46,;6.64,-4.78,;7.41,-3.44,;8.92,-3.12,;9.39,-1.66,;8.36,-.51,;6.85,-.83,;6.38,-2.3,;10.88,-1.26,;12.37,-.86,)|
COC(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:26.32,(11.08,4.01,;9.74,4.78,;8.41,4.01,;8.41,2.47,;7.08,4.78,;5.74,4.01,;5.74,2.47,;4.41,1.7,;3.07,2.47,;3.07,4.01,;4.41,4.78,;4.61,2.47,;4.2,4.01,;1.74,1.7,;1.74,.16,;3.07,-.61,;3.07,-2.15,;1.74,-2.92,;.41,-2.15,;.41,-.61,;-.93,.16,;-.93,1.7,;-2.26,-.61,;-3.59,.16,;-3.59,1.7,;-4.93,2.47,;-6.26,1.7,;-6.26,.16,;-4.93,-.61,;-7.6,2.47,;-8.93,1.7,;-8.93,.16,;-10.26,2.47,;-11.03,3.8,;-11.8,2.47,;4.41,-2.92,;4.57,-4.46,;6.08,-4.78,;6.85,-3.44,;8.35,-3.12,;8.83,-1.66,;7.8,-.51,;6.29,-.83,;5.81,-2.3,;10.32,-1.26,;11.8,-.86,)|
CN(C)C(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC[C@@H](CC1)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:4.4,20.24,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;2.3,.93,;3.64,1.7,;3.64,3.24,;2.3,4.01,;.97,3.24,;4.97,4.01,;6.31,3.24,;4.97,5.55,;6.31,4.78,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|
CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)OC)-c1ccc2cc(cnn12)C#N |r,wU:14.18,wD:11.11,(-7.7,.16,;-6.36,-.61,;-5.03,.16,;-5.03,1.7,;-3.7,-.61,;-3.7,-2.15,;-2.36,-2.92,;-1.03,-2.15,;-1.03,-.61,;-2.36,.16,;-2.36,1.7,;-1.03,2.47,;.3,1.7,;1.64,2.47,;1.64,4.01,;.3,4.78,;-1.03,4.01,;2.97,4.78,;4.3,4.01,;4.3,2.47,;5.64,4.78,;6.97,4.01,;.3,-2.92,;.46,-4.46,;1.97,-4.78,;2.74,-3.44,;4.25,-3.12,;4.72,-1.66,;3.69,-.51,;2.19,-.83,;1.71,-2.3,;6.21,-1.26,;7.7,-.86,)|
CNC(=O)c1cnc(cc1NC1CC[C@@H](CC1)NC(=O)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r,wU:14.18,(-7.7,-.61,;-6.36,-1.38,;-5.03,-.61,;-5.03,.93,;-3.7,-1.38,;-3.7,-2.92,;-2.36,-3.69,;-1.03,-2.92,;-1.03,-1.38,;-2.36,-.61,;-2.36,.93,;-1.03,1.7,;.3,.93,;1.64,1.7,;1.64,3.24,;.3,4.01,;-1.03,3.24,;2.97,4.01,;4.3,3.24,;4.3,1.7,;5.64,4.01,;6.97,3.24,;5.64,5.55,;6.97,4.78,;.3,-3.69,;.46,-5.23,;1.97,-5.55,;2.74,-4.21,;4.25,-3.89,;4.72,-2.43,;3.69,-1.28,;2.19,-1.6,;1.71,-3.07,;6.21,-2.03,;7.7,-1.63,)|
CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:14.18,wD:11.11,(-7.7,.16,;-6.36,-.61,;-5.03,.16,;-5.03,1.7,;-3.7,-.61,;-3.7,-2.15,;-2.36,-2.92,;-1.03,-2.15,;-1.03,-.61,;-2.36,.16,;-2.36,1.7,;-1.03,2.47,;.3,1.7,;1.64,2.47,;1.64,4.01,;.3,4.78,;-1.03,4.01,;2.97,4.78,;4.3,4.01,;5.64,4.78,;4.3,2.47,;.3,-2.92,;.46,-4.46,;1.97,-4.78,;2.74,-3.44,;4.25,-3.12,;4.72,-1.66,;3.69,-.51,;2.19,-.83,;1.71,-2.3,;6.21,-1.26,;7.7,-.86,)|
CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NCC(F)(F)F)-c1ccc2cc(cnn12)C#N
CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NCC(F)F)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)NC(=O)OC1COC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)OC1COC1)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-10.28,-.61,;-8.95,.16,;-8.95,1.7,;-10.28,.93,;-7.61,-.61,;-7.61,-2.15,;-6.28,.16,;-4.94,-.61,;-3.61,.16,;-3.61,1.7,;-2.28,-.61,;-2.28,-2.15,;-.94,-2.92,;.39,-2.15,;.39,-.61,;-.94,.16,;-.94,1.7,;.39,2.47,;1.72,1.7,;3.06,2.47,;3.06,4.01,;1.72,4.78,;.39,4.01,;4.39,4.78,;5.73,4.01,;5.73,2.47,;7.06,4.78,;8.39,4.01,;8.79,2.52,;10.28,2.92,;9.88,4.4,;1.72,-2.92,;1.89,-4.46,;3.39,-4.78,;4.16,-3.44,;5.67,-3.12,;6.14,-1.66,;5.11,-.51,;3.61,-.83,;3.13,-2.3,;7.63,-1.26,;9.12,-.86,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C1(C)COC1)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1.36,;-8.37,-.59,;-8.37,.95,;-9.7,.18,;-7.03,-1.36,;-7.03,-2.9,;-5.7,-.59,;-4.36,-1.36,;-3.03,-.59,;-3.03,.95,;-1.7,-1.36,;-1.7,-2.9,;-.36,-3.67,;.97,-2.9,;.97,-1.36,;-.36,-.59,;-.36,.95,;.97,1.72,;2.3,.95,;3.64,1.72,;3.64,3.26,;2.3,4.03,;.97,3.26,;4.97,4.03,;6.31,3.26,;6.31,1.72,;7.64,4.03,;6.31,4.8,;9.13,3.63,;9.53,5.12,;8.04,5.52,;2.3,-3.67,;2.47,-5.2,;3.97,-5.52,;4.74,-4.19,;6.25,-3.87,;6.72,-2.4,;5.69,-1.26,;4.19,-1.58,;3.71,-3.04,;8.21,-2,;9.7,-1.6,)|
COC(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
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CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:8.7,25.27,wD:11.14,(10,4.78,;8.67,4.01,;8.67,2.47,;10,3.24,;7.34,4.78,;6,4.01,;6,2.47,;4.67,4.78,;3.33,4.01,;3.33,2.47,;2,1.7,;.67,2.47,;.67,4.01,;2,4.78,;-.67,1.7,;-.67,.16,;.67,-.61,;.67,-2.15,;-.67,-2.92,;-2,-2.15,;-2,-.61,;-3.33,.16,;-3.33,1.7,;-4.67,-.61,;-6,.16,;-7.34,-.61,;-7.34,-2.15,;-8.67,.16,;-10,-.61,;-8.67,1.7,;-10,.93,;2,-2.92,;2.16,-4.46,;3.67,-4.78,;4.44,-3.44,;5.94,-3.12,;6.42,-1.66,;5.39,-.51,;3.88,-.83,;3.41,-2.3,;7.91,-1.26,;9.4,-.86,)|
CC(=O)N[C@@H]1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(=O)N[C@H]1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CC[C@@H](N)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CC[C@H](N)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](N)C1)-c1ccc2cc(cnn12)C#N |r|
CC(=O)N[C@@H]1CC[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;2.3,.93,;3.64,1.7,;3.64,3.24,;2.3,4.01,;.97,3.24,;4.97,4.01,;6.31,3.24,;6.31,1.7,;7.64,4.01,;8.97,3.24,;7.64,5.55,;8.97,4.78,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|
COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:5.4,22.24,wD:8.11,(8.97,4.01,;7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,4.78,;3.64,4.01,;3.64,2.47,;2.3,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;-.36,1.7,;-.36,.16,;.97,-.61,;.97,-2.15,;-.36,-2.92,;-1.7,-2.15,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,-.61,;-5.7,.16,;-7.03,-.61,;-7.03,-2.15,;-8.37,.16,;-9.7,-.61,;-8.37,1.7,;-9.7,.93,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1,;-8.37,-.23,;-8.37,1.31,;-9.7,.54,;-7.03,-1,;-7.03,-2.54,;-5.7,-.23,;-4.36,-1,;-3.03,-.23,;-3.03,1.31,;-1.7,-1,;-1.7,-2.54,;-.36,-3.31,;.97,-2.54,;.97,-1,;-.36,-.23,;-.36,1.31,;.97,2.08,;2.3,1.31,;3.64,2.08,;3.64,3.62,;2.3,4.39,;.97,3.62,;4.97,4.39,;6.31,3.62,;7.64,4.39,;6.31,2.08,;6.31,5.16,;2.3,-3.31,;2.47,-4.84,;3.97,-5.16,;4.74,-3.83,;6.25,-3.51,;6.72,-2.04,;5.69,-.9,;4.19,-1.22,;3.71,-2.68,;8.21,-1.64,;9.7,-1.25,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](N)CC1)-c1ccc2cc(cnn12)C#N |r,wU:20.21,4.4,wD:17.17,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;2.3,1.7,;3.64,2.47,;3.64,4.01,;4.97,4.78,;2.3,4.78,;.97,4.01,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|
CC(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(N)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r,wU:17.17,20.24,4.4,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;2.3,.93,;3.64,1.7,;3.64,3.24,;2.3,4.01,;.97,3.24,;4.97,4.01,;6.31,3.24,;6.31,1.7,;7.64,4.01,;8.97,3.24,;7.64,5.55,;8.97,4.78,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.10,4.3,21.23,(7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,4.78,;3.64,4.01,;3.64,2.47,;2.3,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;-.36,1.7,;-.36,.16,;.97,-.61,;.97,-2.15,;-.36,-2.92,;-1.7,-2.15,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,-.61,;-5.7,.16,;-7.03,-.61,;-7.03,-2.15,;-8.37,.16,;-9.7,-.61,;-8.37,1.7,;-9.7,.93,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CCOC[C@@H]1F)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCOC[C@H]1F)-c1ccc2cc(cnn12)C#N |r|
C[C@@H](O)C(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)C(=O)C1(C)COC1)-c1ccc2cc(cnn12)C#N |r|
CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:4.3,21.23,wD:7.10,(7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,4.78,;3.64,4.01,;3.64,2.47,;2.3,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;-.36,1.7,;-.36,.16,;.97,-.61,;.97,-2.15,;-.36,-2.92,;-1.7,-2.15,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,-.61,;-5.7,.16,;-7.03,-.61,;-7.03,-2.15,;-8.37,.16,;-9.7,-.61,;-8.37,1.7,;-9.7,.93,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCNC(=O)C1)-c1ccc2cc(cnn12)C#N |r|
COCC(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC(F)(F)F)CC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCC(O)C(C)(C)O)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N
CN(C)C(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CNC(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc(Cc2ccccc2)ns1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nnc(Cc2ccccc2)o1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc(Cc2ccccc2)cs1)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)c1csc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r|
COC(=O)[C@H](C)NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
COC(=O)[C@@H](C)NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
COC(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CC(C)(CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N)NS(C)(=O)=O
COC(=O)NC(C)(C)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CC(=O)NC(C)(C)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CC(C)(N)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCCC1CCCO1)-c1ccc2cc(cnn12)C#N
CC(C)(C)OC(=O)NC(C)(C)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(=O)N1CCC1)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CNC(=O)O[C@@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.9,20.22,5.4,(8.19,3.78,;6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;1.37,4.18,;.97,2.69,;2.46,2.29,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCCC#N)-c1ccc2cc(cnn12)C#N
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CNC(=O)O[C@H]1C[C@](C)(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.10,21.23,5.4,wD:7.7,(8.19,3.78,;6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;-.36,3.46,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
CC(C)(C)NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc(cs1)-c1ccc(Oc2ccccc2)cc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cc(no1)C(C)(C)C)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.10,4.3,21.23,(7.64,4.01,;6.31,3.24,;4.97,4.01,;4.97,5.55,;3.64,3.24,;2.3,4.01,;.97,3.24,;.97,1.7,;2.3,.93,;3.64,1.7,;-.36,.93,;-.36,-.61,;.97,-1.38,;.97,-2.92,;-.36,-3.69,;-1.7,-2.92,;-1.7,-1.38,;-3.03,-.61,;-3.03,.93,;-4.36,-1.38,;-5.7,-.61,;-7.03,-1.38,;-7.03,-2.92,;-8.37,-.61,;-9.7,-1.38,;-8.37,.93,;-9.7,.16,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc(cs1)-c1ccccc1)-c1ccc2cc(cnn12)C#N |r|
Cc1ccc(cc1)-c1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n(n1)-c1ccccc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1sc2CCCCc2c1C(N)=O)-c1ccc2cc(cnn12)C#N |r|
CN(C)[C@H]1CCC(CC1)NC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r,wU:3.2,wD:19.20,23.25,(-10.37,.93,;-9.03,1.7,;-9.03,3.24,;-7.7,.93,;-6.36,1.7,;-5.03,.93,;-5.03,-.61,;-6.36,-1.38,;-7.7,-.61,;-3.7,-1.38,;-2.36,-.61,;-2.36,.93,;-1.03,-1.38,;-1.03,-2.92,;.3,-3.69,;1.64,-2.92,;1.64,-1.38,;.3,-.61,;.3,.93,;1.64,1.7,;2.97,.93,;4.3,1.7,;4.3,3.24,;2.97,4.01,;2.97,5.55,;1.64,3.24,;2.97,-3.69,;3.13,-5.23,;4.64,-5.55,;5.41,-4.21,;6.91,-3.89,;7.39,-2.43,;6.36,-1.28,;4.85,-1.6,;4.38,-3.07,;8.88,-2.03,;10.37,-1.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(=O)NC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)NC(=O)c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(Cc2ccccc2)n1)-c1ccc2cc(cnn12)C#N |r|
Cn1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)(C2)C(N)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc(cs1)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nccs1)-c1ccc2cc(cnn12)C#N |r|
COc1ccc2nc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)sc2c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc2ccccc2s1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)(C2)C#N)-c1ccc2cc(cnn12)C#N |r|
CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC12CC(C1)(C2)C#N)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(N)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccccc1C(N)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C(N)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(F)c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1ccccc1=O)-c1ccc2cc(cnn12)C#N |r|
OC1CCCC(C1)Nc1cc(ncc1C(=O)Nc1ccc(cn1)C#N)-c1ccc2cc(cnn12)C#N
COC(=O)NC1CC[C@@H](CC1)NC(=O)c1cnc(cc1N[C@H]1CCCC(O)C1)-c1ccc2cc(cnn12)C#N |r,wU:8.11,wD:21.22,(-11.7,.93,;-10.37,1.7,;-9.03,.93,;-9.03,-.61,;-7.7,1.7,;-6.36,.93,;-6.36,-.61,;-5.03,-1.38,;-3.7,-.61,;-3.7,.93,;-5.03,1.7,;-2.36,-1.38,;-1.03,-.61,;-1.03,.93,;.3,-1.38,;.3,-2.92,;1.64,-3.69,;2.97,-2.92,;2.97,-1.38,;1.64,-.61,;1.64,.93,;2.97,1.7,;4.3,.93,;5.64,1.7,;5.64,3.24,;4.3,4.01,;4.3,5.55,;2.97,3.24,;4.3,-3.69,;4.47,-5.23,;5.97,-5.55,;6.74,-4.21,;8.25,-3.89,;8.72,-2.43,;7.69,-1.28,;6.19,-1.6,;5.71,-3.07,;10.21,-2.03,;11.7,-1.63,)|
C[C@@]1(O)C[C@@H](C1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:4.6,1.1,wD:1.0,(3.52,3.01,;2.19,3.78,;3.52,4.55,;.7,4.18,;.3,2.69,;1.79,2.29,;-1.03,1.92,;-1.03,.38,;.3,-.39,;.3,-1.93,;-1.03,-2.7,;-2.36,-1.93,;-2.36,-.39,;-3.7,.38,;-3.7,1.92,;-5.03,-.39,;-6.36,.38,;-7.7,-.39,;-9.03,-1.16,;1.64,-2.7,;1.8,-4.23,;3.3,-4.55,;4.07,-3.22,;5.58,-2.9,;6.06,-1.43,;5.03,-.29,;3.52,-.61,;3.04,-2.07,;7.54,-1.03,;9.03,-.63,)|
C[C@]1(O)C[C@@H](C1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:4.6,1.0,wD:1.1,(3.52,4.55,;2.19,3.78,;3.52,3.01,;.7,4.18,;.3,2.69,;1.79,2.29,;-1.03,1.92,;-1.03,.38,;.3,-.39,;.3,-1.93,;-1.03,-2.7,;-2.36,-1.93,;-2.36,-.39,;-3.7,.38,;-3.7,1.92,;-5.03,-.39,;-6.36,.38,;-7.7,-.39,;-9.03,-1.16,;1.64,-2.7,;1.8,-4.23,;3.3,-4.55,;4.07,-3.22,;5.58,-2.9,;6.06,-1.43,;5.03,-.29,;3.52,-.61,;3.04,-2.07,;7.54,-1.03,;9.03,-.63,)|
NC(=O)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r,wU:17.21,wD:14.14,(-9.03,-1.15,;-7.7,-1.92,;-7.7,-3.46,;-6.36,-1.15,;-5.03,-1.92,;-3.7,-1.15,;-3.7,.39,;-2.36,-1.92,;-2.36,-3.46,;-1.03,-4.23,;.3,-3.46,;.3,-1.92,;-1.03,-1.15,;-1.03,.39,;.3,1.16,;1.64,.39,;2.97,1.16,;2.97,2.7,;1.64,3.47,;.3,2.7,;4.3,3.47,;5.71,2.84,;6.74,3.98,;5.97,5.32,;4.47,5,;3.38,6.09,;1.64,-4.23,;1.8,-5.77,;3.3,-6.09,;4.07,-4.75,;5.58,-4.43,;6.06,-2.97,;5.03,-1.82,;3.52,-2.14,;3.04,-3.61,;7.54,-2.57,;9.03,-2.17,)|
O=C(NCC#N)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(-3.7,.39,;-3.7,-1.15,;-5.03,-1.92,;-6.36,-1.15,;-7.7,-1.92,;-9.03,-2.69,;-2.36,-1.92,;-2.36,-3.46,;-1.03,-4.23,;.3,-3.46,;.3,-1.92,;-1.03,-1.15,;-1.03,.39,;.3,1.16,;1.64,.39,;2.97,1.16,;2.97,2.7,;1.64,3.47,;.3,2.7,;4.3,3.47,;5.71,2.84,;6.74,3.98,;5.97,5.32,;4.47,5,;3.38,6.09,;1.64,-4.23,;1.8,-5.77,;3.3,-6.09,;4.07,-4.75,;5.58,-4.43,;6.06,-2.97,;5.03,-1.82,;3.52,-2.14,;3.04,-3.61,;7.54,-2.57,;9.03,-2.17,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1.92,;-8.37,-1.15,;-8.37,.39,;-9.7,-.38,;-7.03,-1.92,;-7.03,-3.46,;-5.7,-1.15,;-4.36,-1.92,;-3.03,-1.15,;-3.03,.39,;-1.7,-1.92,;-1.7,-3.46,;-.36,-4.23,;.97,-3.46,;.97,-1.92,;-.36,-1.15,;-.36,.39,;.97,1.16,;2.3,.39,;3.64,1.16,;3.64,2.7,;2.3,3.47,;.97,2.7,;4.97,3.47,;6.38,2.84,;7.41,3.98,;6.64,5.32,;5.13,5,;4.04,6.09,;2.3,-4.23,;2.47,-5.77,;3.97,-6.09,;4.74,-4.75,;6.25,-4.43,;6.72,-2.97,;5.69,-1.82,;4.19,-2.14,;3.71,-3.61,;8.21,-2.57,;9.7,-2.17,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(C1)C(F)F)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(C)(F)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CCN(CC1)C1COC1)-c1ccc2cc(cnn12)C#N |r|
COC1CN(C1)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COCCNC(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(N)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(F)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|
OC12CCC(CC1)(CC2)NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-c1ccc2cc(cnn12)C#N |r|
CN(C)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)N1CCC1=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)NC1CC1)-c1ccc2cc(cnn12)C#N |r|
CCNC(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)NC12CC(C1)C2)-c1ccc2cc(cnn12)C#N |r|
CN(C)C(=O)OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cn1)C#N)-c1ccc2cc(cnn12)C#N |r|
COC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(=O)OC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)OC(C)=O)-c1ccc2cc(cnn12)C#N |r|
CC(=O)OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC1CC(O)CCC1Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ncc(cn1)C#N)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C1(F)CC1)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-2.31,;-8.37,-1.54,;-8.37,0,;-9.7,-.77,;-7.03,-2.31,;-7.03,-3.85,;-5.7,-1.54,;-4.36,-2.31,;-3.03,-1.54,;-3.03,0,;-1.7,-2.31,;-1.7,-3.85,;-.36,-4.62,;.97,-3.85,;.97,-2.31,;-.36,-1.54,;-.36,0,;.97,.77,;2.3,0,;3.64,.77,;3.64,2.31,;2.3,3.08,;.97,2.31,;4.97,3.08,;5.13,4.62,;4.04,5.7,;6.64,4.94,;7.41,3.6,;7.88,5.84,;6.48,6.47,;2.3,-4.62,;2.47,-6.15,;3.97,-6.47,;4.74,-5.13,;6.25,-4.81,;6.72,-3.35,;5.69,-2.2,;4.19,-2.52,;3.71,-3.99,;8.21,-2.95,;9.7,-2.55,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C1(C)CC1)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-2.31,;-8.37,-1.54,;-8.37,0,;-9.7,-.77,;-7.03,-2.31,;-7.03,-3.85,;-5.7,-1.54,;-4.36,-2.31,;-3.03,-1.54,;-3.03,0,;-1.7,-2.31,;-1.7,-3.85,;-.36,-4.62,;.97,-3.85,;.97,-2.31,;-.36,-1.54,;-.36,0,;.97,.77,;2.3,0,;3.64,.77,;3.64,2.31,;2.3,3.08,;.97,2.31,;4.97,3.08,;5.13,4.62,;4.04,5.7,;6.64,4.94,;7.41,3.6,;7.88,5.84,;6.48,6.47,;2.3,-4.62,;2.47,-6.15,;3.97,-6.47,;4.74,-5.13,;6.25,-4.81,;6.72,-3.35,;5.69,-2.2,;4.19,-2.52,;3.71,-3.99,;8.21,-2.95,;9.7,-2.55,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)NC(=O)C=C)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C=C)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1.92,;-8.37,-1.15,;-8.37,.39,;-9.7,-.38,;-7.03,-1.92,;-7.03,-3.46,;-5.7,-1.15,;-4.36,-1.92,;-3.03,-1.15,;-3.03,.39,;-1.7,-1.92,;-1.7,-3.46,;-.36,-4.23,;.97,-3.46,;.97,-1.92,;-.36,-1.15,;-.36,.39,;.97,1.16,;2.3,.39,;3.64,1.16,;3.64,2.7,;2.3,3.47,;.97,2.7,;4.97,3.47,;5.13,5,;4.04,6.09,;6.62,4.6,;7.71,5.69,;2.3,-4.23,;2.47,-5.77,;3.97,-6.09,;4.74,-4.75,;6.25,-4.43,;6.72,-2.97,;5.69,-1.82,;4.19,-2.14,;3.71,-3.61,;8.21,-2.57,;9.7,-2.17,)|
O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1C[C@H]1F)-c1ccc2cc(cnn12)C#N |r|
O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1CC2(C1)CC(F)(F)C2)-c1ccc2cc(cnn12)C#N |r|
O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NCC1(CC1)C#N)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@]1(C)C[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.21,17.18,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;-.12,3.78,;1.37,4.18,;2.86,3.78,;4.19,4.55,;2.46,2.29,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1CC1(F)F)-c1ccc2cc(cnn12)C#N |r|
O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1CCC(F)(F)CC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@]1(C)CC[C@H](O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,21.22,4.4,wD:17.18,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;-.12,3.55,;2.3,1.7,;3.64,2.47,;3.64,4.01,;4.97,4.78,;2.3,4.78,;.97,4.01,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@]1(C)C[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,20.21,wD:17.18,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;-.12,3.78,;2.46,2.29,;2.86,3.78,;4.19,4.55,;1.37,4.18,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2C(=O)NCc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(O)nc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.21,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;3.64,4.01,;4.97,4.78,;3.64,2.47,;2.3,1.7,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CC[C@H](O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,20.21,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;2.3,1.7,;3.64,2.47,;3.64,4.01,;4.97,4.78,;2.3,4.78,;.97,4.01,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCCCS(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
CCS(=O)(=O)CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(CCS(C)(=O)=O)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1=O |r|
Cn1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1=O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H](C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:19.22,(-9.7,-1.16,;-8.37,-.39,;-8.37,1.15,;-9.7,.38,;-7.03,-1.16,;-7.03,-2.7,;-5.7,-.39,;-4.36,-1.16,;-3.03,-.39,;-3.03,1.15,;-1.7,-1.16,;-1.7,-2.7,;-.36,-3.47,;.97,-2.7,;.97,-1.16,;-.36,-.39,;-.36,1.15,;.97,1.92,;1.37,3.41,;2.86,3.01,;2.46,1.52,;4.19,3.78,;5.52,3.01,;4.19,5.32,;5.52,4.55,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@](C)(O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,20.21,wD:20.22,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;3.64,4.01,;4.97,4.78,;4.97,3.24,;3.64,2.47,;2.3,1.7,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@](C)(O)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,19.20,wD:19.21,(-9.7,-.77,;-8.37,-0,;-8.37,1.54,;-9.7,.77,;-7.03,-.77,;-7.03,-2.31,;-5.7,-0,;-4.36,-.77,;-3.03,-0,;-3.03,1.54,;-1.7,-.77,;-1.7,-2.31,;-.36,-3.08,;.97,-2.31,;.97,-.77,;-.36,-0,;-.36,1.54,;.97,2.31,;1.37,3.79,;2.86,3.4,;2.86,4.94,;4.19,4.17,;2.46,1.91,;2.3,-3.08,;2.47,-4.62,;3.97,-4.94,;4.74,-3.6,;6.25,-3.28,;6.72,-1.82,;5.69,-.67,;4.19,-.99,;3.71,-2.46,;8.21,-1.42,;9.7,-1.02,)|
CC(=O)N1CC2(CC(C2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)C1 |r|
CC(C)(C)OC(=O)N1CC2(CC(C2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)C1 |r|
CC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC(O)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;1.37,4.18,;2.86,3.78,;4.19,4.55,;2.46,2.29,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
CNC(=O)c1ccc(Nc2cc(ncc2C(=O)NCC#N)-c2ccc3cc(cnn23)C#N)cc1
CC1(O)CC2(CC(C2)Nc2cc(ncc2C(=O)NCC#N)-c2ccc3cc(cnn23)C#N)C1 |(5.62,4.04,;4.08,4.04,;4.85,5.38,;3.68,2.56,;2.19,2.95,;1.79,1.47,;.3,1.87,;.7,3.35,;-1.03,1.1,;-1.03,-.44,;.3,-1.21,;.3,-2.75,;-1.03,-3.52,;-2.36,-2.75,;-2.36,-1.21,;-3.7,-.44,;-3.7,1.1,;-5.03,-1.21,;-6.36,-.44,;-7.7,-1.21,;-9.03,-1.98,;1.64,-3.52,;1.8,-5.06,;3.3,-5.38,;4.07,-4.04,;5.58,-3.72,;6.06,-2.26,;5.03,-1.11,;3.52,-1.43,;3.04,-2.9,;7.54,-1.86,;9.03,-1.46,;2.59,4.44,)|
OC1CC2(C1)CC(C2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N
O=C(NCC#N)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)NC1COC1)-c1ccc2cc(cnn12)C#N
CCC(=O)N[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:5.4,20.22,wD:7.9,(8.19,3.78,;6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
CC(=O)N[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:4.3,19.21,wD:6.8,(6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
COC(=O)N[C@H]1C[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.9,5.4,20.22,(8.19,3.78,;6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
CC(=O)N[C@H]1C[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:6.8,4.3,19.21,(6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r|
O=C(NCC#N)c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N
O=C(NCC#N)c1cnc(cc1NC1CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N
CNc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N
CNC(=O)[C@@H]1CCC[C@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)[C@@H]1CC[C@@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)[C@@H]1CC[C@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)[C@H]1CC[C@@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)c1cnc(cc1NC12CCC(CC1)(C2)C(=O)NC)-c1ccc2cc(cnn12)C#N
CNC(=O)[C@H]1CC[C@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)[C@@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r,wU:6.8,4.3,(4.86,3.78,;3.52,3.01,;2.19,3.78,;2.19,5.32,;.86,3.01,;-.63,3.41,;-1.03,1.92,;.46,1.52,;-2.36,1.15,;-2.36,-.39,;-1.03,-1.16,;-1.03,-2.7,;-2.36,-3.47,;-3.7,-2.7,;-3.7,-1.16,;-5.03,-.39,;-5.03,1.15,;-6.36,-1.16,;-7.7,-.39,;.3,-3.47,;.46,-5,;1.97,-5.32,;2.74,-3.99,;4.25,-3.67,;4.72,-2.2,;3.69,-1.06,;2.19,-1.38,;1.71,-2.84,;6.21,-1.8,;7.7,-1.4,)|
CNC(=O)[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r,wU:6.8,wD:4.3,(4.86,3.78,;3.52,3.01,;2.19,3.78,;2.19,5.32,;.86,3.01,;-.63,3.41,;-1.03,1.92,;.46,1.52,;-2.36,1.15,;-2.36,-.39,;-1.03,-1.16,;-1.03,-2.7,;-2.36,-3.47,;-3.7,-2.7,;-3.7,-1.16,;-5.03,-.39,;-5.03,1.15,;-6.36,-1.16,;-7.7,-.39,;.3,-3.47,;.46,-5,;1.97,-5.32,;2.74,-3.99,;4.25,-3.67,;4.72,-2.2,;3.69,-1.06,;2.19,-1.38,;1.71,-2.84,;6.21,-1.8,;7.7,-1.4,)|
CNC(=O)c1cnc(cc1NC12CCC(CC1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N
FC1(F)CN(C1)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N
CNC(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N
CC(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N
CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)C(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:22.28,(8.85,4.55,;7.52,3.78,;7.52,2.24,;6.19,4.55,;4.85,3.78,;4.45,2.29,;2.97,2.69,;3.37,4.18,;3.7,3.49,;1.63,1.92,;1.63,.38,;2.97,-.39,;2.97,-1.93,;1.63,-2.7,;.3,-1.93,;.3,-.39,;-1.03,.38,;-1.03,1.92,;-2.37,-.39,;-3.7,.38,;-3.7,1.92,;-5.04,2.69,;-6.37,1.92,;-6.37,.38,;-5.04,-.39,;-7.7,2.69,;-7.7,4.22,;-9.03,1.92,;-10.36,2.69,;-11.7,1.92,;-11.7,.38,;-10.36,-.39,;-9.03,.38,;4.3,-2.7,;4.46,-4.23,;5.97,-4.55,;6.74,-3.22,;8.24,-2.9,;8.72,-1.43,;7.69,-.29,;6.18,-.61,;5.71,-2.07,;10.21,-1.03,;11.7,-.63,)|
CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r,wU:22.28,wD:19.21,(9.23,4.55,;7.9,3.78,;7.9,2.24,;6.57,4.55,;5.23,3.78,;4.83,2.29,;3.35,2.69,;3.74,4.18,;4.08,3.49,;2.01,1.92,;2.01,.38,;3.35,-.39,;3.35,-1.93,;2.01,-2.7,;.68,-1.93,;.68,-.39,;-.65,.38,;-.65,1.92,;-1.99,-.39,;-3.32,.38,;-3.32,1.92,;-4.66,2.69,;-5.99,1.92,;-5.99,.38,;-4.66,-.39,;-7.32,2.69,;-7.32,4.22,;-8.65,1.92,;-10.14,2.32,;-10.53,.83,;-11.3,-.5,;-12.07,.83,;-9.05,.43,;4.68,-2.7,;4.84,-4.23,;6.35,-4.55,;7.12,-3.22,;8.62,-2.9,;9.1,-1.43,;8.07,-.29,;6.56,-.61,;6.09,-2.07,;10.59,-1.03,;12.07,-.63,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC12CC(C1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:4.3,wD:7.10,(-11.03,2.69,;-9.69,1.92,;-8.36,2.69,;-8.36,4.22,;-7.04,1.92,;-5.7,2.69,;-4.37,1.92,;-4.37,.38,;-5.7,-.39,;-7.04,.38,;-3.03,-.39,;-1.7,.38,;-1.7,1.92,;-.37,-.39,;-.37,-1.93,;.97,-2.7,;2.3,-1.93,;2.3,-.39,;.97,.38,;.97,1.92,;2.3,2.69,;3.79,2.29,;4.19,3.78,;2.7,4.18,;3.04,3.49,;5.52,4.55,;6.85,3.78,;8.19,4.55,;6.85,2.24,;3.63,-2.7,;3.79,-4.23,;5.3,-4.55,;6.07,-3.22,;7.58,-2.9,;8.05,-1.43,;7.02,-.29,;5.52,-.61,;5.04,-2.07,;9.54,-1.03,;11.03,-.63,)|
CNC(=O)c1cnc(cc1NC12CC(C1)(C2)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N
CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)NC1CC1)-c1ccc2cc(cnn12)C#N
CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)NC(C)=O)-c1ccc2cc(cnn12)C#N
CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N
CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CCC1)-c1ccc2cc(cnn12)C#N
CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)NC)-c1ccc2cc(cnn12)C#N
CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)NC(=O)OC)-c1ccc2cc(cnn12)C#N
COC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N
CNC(=O)c1cnc(cc1NC12CC(C1)(C2)NC(=O)OC)-c1ccc2cc(cnn12)C#N
CNC(=O)c1cnc(cc1NC12CC(C1)C2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1cncc(N)c1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1cncc(NC(C)=O)c1)-c1ccc2cc(cnn12)C#N
CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC1(CC1)C#N)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)Nc1csc(NC(C)=O)n1)-c1ccc2cc(cnn12)C#N
CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-c1ccc2cc(cnn12)C#N |r|
COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N |r|
CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N
CNC(=O)c1cnc(cc1NC12CC(C1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(=O)NC12CCC(CC1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NC12CCC(CC1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(=O)OC1CCCC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
O=C(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cccnc1)-c1ccc2cc(cnn12)C#N)C1CC1 |r,wU:3.2,wD:6.9,(-8.93,.16,;-8.93,1.7,;-7.6,2.47,;-6.26,1.7,;-4.93,2.47,;-3.59,1.7,;-3.59,.16,;-4.93,-.61,;-6.26,.16,;-2.26,-.61,;-.93,.16,;-.93,1.7,;.41,-.61,;.41,-2.15,;1.74,-2.92,;3.07,-2.15,;3.07,-.61,;1.74,.16,;1.74,1.7,;3.07,2.47,;3.07,4.01,;4.41,4.78,;5.74,4.01,;5.74,2.47,;4.41,1.7,;4.41,-2.92,;4.57,-4.46,;6.08,-4.78,;6.85,-3.44,;8.35,-3.12,;8.83,-1.66,;7.8,-.51,;6.29,-.83,;5.81,-2.3,;10.32,-1.26,;11.8,-.86,;-10.26,2.47,;-11.03,3.8,;-11.8,2.47,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(F)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC[C@@H](C1)[C@@H](O)C2)-c1ccc2cc(cnn12)C#N |r|
OC1CCCC(C1)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)C=C)-c1ccc2cc(cnn12)C#N |r,wU:17.18,wD:20.25,(3.64,5.55,;3.64,4.01,;4.97,3.24,;4.97,1.7,;3.64,.93,;2.3,1.7,;2.3,3.24,;.97,.93,;.97,-.61,;2.3,-1.38,;2.3,-2.92,;.97,-3.69,;-.36,-2.92,;-.36,-1.38,;-1.7,-.61,;-1.7,.93,;-3.03,-1.38,;-4.36,-.61,;-5.7,-1.38,;-7.03,-.61,;-7.03,.93,;-5.7,1.7,;-4.36,.93,;-8.37,1.7,;-9.7,.93,;-9.7,-.61,;-11.03,1.7,;-11.03,3.24,;3.64,-3.69,;3.8,-5.23,;5.31,-5.55,;6.08,-4.21,;7.58,-3.89,;8.06,-2.43,;7.03,-1.28,;5.52,-1.6,;5.04,-3.07,;9.55,-2.03,;11.03,-1.63,)|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:22.28,(7.08,4.78,;5.74,4.01,;5.74,2.47,;4.41,1.7,;3.07,2.47,;3.07,4.01,;4.41,4.78,;4.61,2.47,;4.2,4.01,;1.74,1.7,;1.74,.16,;3.07,-.61,;3.07,-2.15,;1.74,-2.92,;.41,-2.15,;.41,-.61,;-.93,.16,;-.93,1.7,;-2.26,-.61,;-3.59,.16,;-3.59,1.7,;-4.93,2.47,;-6.26,1.7,;-6.26,.16,;-4.93,-.61,;-7.6,2.47,;-8.93,1.7,;-8.93,.16,;-10.26,2.47,;-11.03,3.8,;-11.8,2.47,;4.41,-2.92,;4.57,-4.46,;6.08,-4.78,;6.85,-3.44,;8.35,-3.12,;8.83,-1.66,;7.8,-.51,;6.29,-.83,;5.81,-2.3,;10.32,-1.26,;11.8,-.86,)|
COC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(F)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(C1)CC(C)(O)C2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(CC(O)C2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-.93,;-8.37,-.16,;-8.37,1.38,;-9.7,.61,;-7.03,-.93,;-7.03,-2.47,;-5.7,-.16,;-4.36,-.93,;-3.03,-.16,;-3.03,1.38,;-1.7,-.93,;-1.7,-2.47,;-.36,-3.24,;.97,-2.47,;.97,-.93,;-.36,-.16,;-.36,1.38,;.97,2.15,;2.46,1.75,;2.86,3.24,;4.34,2.84,;4.74,4.32,;6.08,5.09,;3.26,4.72,;1.37,3.63,;2.3,-3.24,;2.47,-4.77,;3.97,-5.09,;4.74,-3.76,;6.25,-3.44,;6.72,-1.98,;5.69,-.83,;4.19,-1.15,;3.71,-2.62,;8.21,-1.58,;9.7,-1.18,)|
CNC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1(CC1)C#N)-c1ccc2cc(cnn12)C#N |r|
O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1CC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|
COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
FC(F)Cn1cc(Nc2cc(ncc2C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C2CC2)-c2ccc3cc(cnn23)C#N)cn1 |r,wU:20.24,wD:17.17,(4.45,6.58,;4.05,5.09,;2.56,4.69,;5.14,4,;4.74,2.51,;3.24,2.19,;3.07,.66,;1.74,-.11,;1.74,-1.65,;3.07,-2.42,;3.07,-3.96,;1.74,-4.73,;.41,-3.96,;.41,-2.42,;-.93,-1.65,;-.93,-.11,;-2.26,-2.42,;-3.59,-1.65,;-3.59,-.11,;-4.93,.66,;-6.26,-.11,;-6.26,-1.65,;-4.93,-2.42,;-7.6,.66,;-8.93,-.11,;-8.93,-1.65,;-10.26,.66,;-11.03,2,;-11.8,.66,;4.41,-4.73,;4.57,-6.26,;6.08,-6.58,;6.85,-5.24,;8.35,-4.92,;8.83,-3.46,;7.8,-2.32,;6.29,-2.64,;5.81,-4.1,;10.32,-3.06,;11.8,-2.66,;4.48,.04,;5.51,1.18,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC1CCC(CC1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |(2.97,2.08,;1.64,2.85,;1.64,4.39,;.3,2.08,;.3,.54,;1.64,-.23,;1.64,-1.77,;.3,-2.54,;-1.03,-1.77,;-1.03,-.23,;-2.36,.54,;-2.36,2.08,;-3.7,-.23,;-5.03,.54,;-5.03,2.08,;-6.36,2.85,;-7.7,2.08,;-7.7,.54,;-6.36,-.23,;-9.03,2.85,;-10.37,2.08,;-8.26,4.18,;-9.8,4.18,;2.97,-2.54,;3.13,-4.07,;4.64,-4.39,;5.41,-3.06,;6.91,-2.74,;7.39,-1.27,;6.36,-.13,;4.85,-.45,;4.38,-1.91,;8.88,-.87,;10.37,-.48,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(CC1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-1.28,;-8.37,-.51,;-8.37,1.03,;-9.7,.26,;-7.03,-1.28,;-7.03,-2.82,;-5.7,-.51,;-4.36,-1.28,;-3.03,-.51,;-3.03,1.03,;-1.7,-1.28,;-1.7,-2.82,;-.36,-3.59,;.97,-2.82,;.97,-1.28,;-.36,-.51,;-.36,1.03,;.97,1.8,;2.3,1.03,;3.64,1.8,;3.64,3.34,;2.3,4.11,;.97,3.34,;4.97,4.11,;6.31,3.34,;5.74,5.44,;4.2,5.44,;2.3,-3.59,;2.47,-5.12,;3.97,-5.44,;4.74,-4.11,;6.25,-3.79,;6.72,-2.32,;5.69,-1.18,;4.19,-1.5,;3.71,-2.96,;8.21,-1.93,;9.7,-1.53,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@H](C1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|
O=C(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N)C1CC1 |r,wU:3.2,wD:6.9,(-8.93,.57,;-8.93,2.11,;-7.6,2.88,;-6.26,2.11,;-4.93,2.88,;-3.59,2.11,;-3.59,.57,;-4.93,-.2,;-6.26,.57,;-2.26,-.2,;-.93,.57,;-.93,2.11,;.41,-.2,;.41,-1.74,;1.74,-2.51,;3.07,-1.74,;3.07,-.2,;1.74,.57,;1.74,2.11,;3.07,2.88,;4.56,2.48,;4.96,3.97,;3.47,4.36,;4.41,-2.51,;4.57,-4.04,;6.08,-4.36,;6.85,-3.03,;8.35,-2.71,;8.83,-1.25,;7.8,-.1,;6.29,-.42,;5.81,-1.89,;10.32,-.85,;11.8,-.45,;-10.26,2.88,;-11.03,4.21,;-11.8,2.88,)|
O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:20.25,wD:17.18,5.7,1.0,(4.41,5.55,;4.41,4.01,;5.74,3.24,;5.74,1.7,;4.41,.93,;3.07,1.7,;3.07,3.24,;1.74,.93,;1.74,-.61,;3.07,-1.38,;3.07,-2.92,;1.74,-3.69,;.41,-2.92,;.41,-1.38,;-.93,-.61,;-.93,.93,;-2.26,-1.38,;-3.59,-.61,;-3.59,.93,;-4.93,1.7,;-6.26,.93,;-6.26,-.61,;-4.93,-1.38,;-7.6,1.7,;-8.93,.93,;-8.93,-.61,;-10.26,1.7,;-11.03,3.03,;-11.8,1.7,;4.41,-3.69,;4.57,-5.23,;6.08,-5.55,;6.85,-4.21,;8.35,-3.89,;8.83,-2.43,;7.8,-1.28,;6.29,-1.6,;5.81,-3.07,;10.32,-2.03,;11.8,-1.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(C)(O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-c1ccc2cc(cnn12)C#N |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](N)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2CC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.72,-1.16,;-8.38,-.39,;-8.38,1.15,;-9.72,.38,;-7.05,-1.16,;-7.05,-2.7,;-5.71,-.39,;-4.38,-1.16,;-3.05,-.39,;-3.05,1.15,;-1.71,-1.16,;-1.71,-2.7,;-.38,-3.47,;.95,-2.7,;.95,-1.16,;-.38,-.39,;-.38,1.15,;.95,1.92,;2.44,1.52,;2.84,3.01,;4.17,3.78,;5.51,3.01,;6.84,3.78,;6.84,5.32,;8.18,3.01,;8.95,1.68,;9.72,3.01,;1.35,3.41,;2.29,-3.47,;2.45,-5,;3.96,-5.32,;4.73,-3.99,;6.23,-3.67,;6.71,-2.2,;5.68,-1.06,;4.17,-1.38,;3.69,-2.84,;8.2,-1.8,;9.68,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@](C)(N)CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,20.22,wD:17.17,20.21,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;2.3,1.7,;3.64,2.47,;3.64,4.01,;4.97,3.24,;4.97,4.78,;2.3,4.78,;.97,4.01,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CO)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;2.46,2.29,;2.86,3.78,;4.19,4.55,;5.52,3.78,;1.37,4.18,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(F)F)-c1ccc2cc(cnn12)C#N |r|
CCC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:21.23,6.5,wD:8.10,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(C)OC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.25,8.7,wD:10.12,(10.28,3.01,;8.95,3.78,;8.95,5.32,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|
CCOC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,7.6,wD:9.11,(10.28,3.01,;8.95,3.78,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|
CN(C)C(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,7.6,wD:9.11,(9.53,3.78,;8.19,3.01,;8.19,1.47,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-1.16,;-8.37,-.39,;-8.37,1.15,;-9.7,.38,;-7.03,-1.16,;-7.03,-2.7,;-5.7,-.39,;-4.36,-1.16,;-3.03,-.39,;-3.03,1.15,;-1.7,-1.16,;-1.7,-2.7,;-.36,-3.47,;.97,-2.7,;.97,-1.16,;-.36,-.39,;-.36,1.15,;.97,1.92,;2.46,1.52,;2.86,3.01,;4.19,3.78,;5.52,3.01,;6.86,3.78,;6.86,5.32,;8.19,3.01,;9.53,3.78,;8.19,1.47,;8.19,4.55,;1.37,3.41,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
COC(=O)C12CCC(CC1)(CCC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:24.27,(5.94,.47,;6.71,1.81,;5.94,3.14,;6.71,4.47,;4.34,3.14,;3.68,1.75,;2.17,1.41,;.97,2.37,;1.74,3.7,;3.01,3.91,;.97,3.91,;2.17,4.87,;3.68,4.53,;-.36,1.6,;-.36,.06,;.97,-.71,;.97,-2.25,;-.36,-3.02,;-1.7,-2.25,;-1.7,-.71,;-3.03,.06,;-3.03,1.6,;-4.36,-.71,;-5.7,.06,;-7.03,-.71,;-7.03,-2.25,;-8.37,.06,;-9.7,-.71,;-8.37,1.6,;-9.7,.83,;2.3,-3.02,;2.47,-4.55,;3.97,-4.87,;4.74,-3.54,;6.25,-3.22,;6.72,-1.75,;5.69,-.61,;4.19,-.93,;3.71,-2.39,;8.21,-1.35,;9.7,-.96,)|
CC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:20.22,5.4,wD:7.9,(8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:21.23,6.5,wD:8.10,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(=O)NCC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NCC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H](C1)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.22,wD:17.17,(-9.7,-1.16,;-8.37,-.39,;-8.37,1.15,;-9.7,.38,;-7.03,-1.16,;-7.03,-2.7,;-5.7,-.39,;-4.36,-1.16,;-3.03,-.39,;-3.03,1.15,;-1.7,-1.16,;-1.7,-2.7,;-.36,-3.47,;.97,-2.7,;.97,-1.16,;-.36,-.39,;-.36,1.15,;.97,1.92,;2.46,1.52,;2.86,3.01,;1.37,3.41,;4.19,3.78,;5.52,3.01,;4.19,5.32,;5.52,4.55,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:24.26,9.8,wD:11.13,(10.28,3.01,;8.95,3.78,;8.95,5.32,;10.28,4.55,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|
CC(C)(C)OC(=O)NCC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCC(F)(F)CNC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCC(F)(F)CN)-c1ccc2cc(cnn12)C#N
COC(=O)NC(C)(CCNC(=O)c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N)C(F)F
CC(C)Nc1cc(ncc1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(N)C(F)F)-c1ccc2cc(cnn12)C#N
COC(=O)NC[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.25,6.5,wD:9.12,(8.97,5.16,;7.64,4.39,;6.31,5.16,;6.31,6.7,;4.97,4.39,;4.97,2.85,;3.64,2.08,;3.64,.54,;2.3,-.23,;.97,.54,;.97,2.08,;2.3,2.85,;-.36,-.23,;-.36,-1.77,;.97,-2.54,;.97,-4.08,;-.36,-4.85,;-1.7,-4.08,;-1.7,-2.54,;-3.03,-1.77,;-3.03,-.23,;-4.36,-2.54,;-5.7,-1.77,;-7.03,-2.54,;-7.03,-4.08,;-8.37,-1.77,;-9.7,-2.54,;-8.37,-.23,;-9.7,-1,;2.3,-4.85,;2.47,-6.38,;3.97,-6.7,;4.74,-5.37,;6.25,-5.05,;6.72,-3.58,;5.69,-2.44,;4.19,-2.76,;3.71,-4.22,;8.21,-3.18,;9.7,-2.79,)|
CC(=O)NC[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,5.4,wD:8.11,(7.64,4.39,;6.31,5.16,;6.31,6.7,;4.97,4.39,;4.97,2.85,;3.64,2.08,;3.64,.54,;2.3,-.23,;.97,.54,;.97,2.08,;2.3,2.85,;-.36,-.23,;-.36,-1.77,;.97,-2.54,;.97,-4.08,;-.36,-4.85,;-1.7,-4.08,;-1.7,-2.54,;-3.03,-1.77,;-3.03,-.23,;-4.36,-2.54,;-5.7,-1.77,;-7.03,-2.54,;-7.03,-4.08,;-8.37,-1.77,;-9.7,-2.54,;-8.37,-.23,;-9.7,-1,;2.3,-4.85,;2.47,-6.38,;3.97,-6.7,;4.74,-5.37,;6.25,-5.05,;6.72,-3.58,;5.69,-2.44,;4.19,-2.76,;3.71,-4.22,;8.21,-3.18,;9.7,-2.79,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](CN)CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,20.21,wD:17.17,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;2.3,.93,;3.64,1.7,;3.64,3.24,;4.97,4.01,;4.97,5.55,;2.3,4.01,;.97,3.24,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(C)(N)C(F)F)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(N)C(F)(F)F)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(C)(N)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r|
Cc1cn2ccc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)cc2n1 |r|
COC(=O)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1OC |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2c(NC(=O)C2(C)C)c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc2cc[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(OC2COC2)cc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2oc(=O)[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2NNNc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn2ccnc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2c(c[nH]c2c1)C#N)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncsc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2CC(=O)Nc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2cn[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|
CN(C)C(=O)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2[nH]ccc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2[nH]ncc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2cc[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2nc[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|
Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1C(N)=O |r|
Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ncc1C(N)=O |r|
Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ncc(F)cn1)-c1ccc2cc(cnn12)C#N |r|
Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ncc1C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(Cl)cn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ncccn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccnn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccccc1)-c1ccc2cc(cnn12)C#N |r|
COc1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccnc(F)c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncc(c1)C(N)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccncc1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)c1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
Cc1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)C#N)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(OC(F)F)nc1)-c1ccc2cc(cnn12)C#N |r|
COc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(F)nc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncc(F)c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)C(N)=O)-c1ccc2cc(cnn12)C#N |r|
COc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)C#N)-c1ccc2cc(cnn12)C#N |r|
COc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1C(N)=O |r|
COc1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
COc1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(OC(F)(F)F)c1)-c1ccc2cc(cnn12)C#N |r|
COc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncc(c1)C#N)-c1ccc2cc(cnn12)C#N |r|
COc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1C#N |r|
CC1(COC1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:8.10,wD:6.5,(8.86,3.78,;7.52,3.01,;6.19,3.78,;6.19,5.32,;4.86,3.01,;3.52,3.78,;2.19,3.01,;.7,3.41,;.3,1.92,;1.79,1.52,;-1.03,1.15,;-1.03,-.39,;.3,-1.16,;.3,-2.7,;-1.03,-3.47,;-2.36,-2.7,;-2.36,-1.16,;-3.7,-.39,;-3.7,1.15,;-5.03,-1.16,;-6.36,-.39,;-7.7,-1.16,;-9.03,-1.93,;1.64,-3.47,;1.8,-5,;3.3,-5.32,;4.07,-3.99,;5.58,-3.67,;6.06,-2.2,;5.03,-1.06,;3.52,-1.38,;3.04,-2.84,;7.54,-1.8,;9.03,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2CCO2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.89,-1.16,;-8.55,-.39,;-8.55,1.15,;-9.89,.38,;-7.22,-1.16,;-7.22,-2.7,;-5.89,-.39,;-4.55,-1.16,;-3.22,-.39,;-3.22,1.15,;-1.89,-1.16,;-1.89,-2.7,;-.55,-3.47,;.78,-2.7,;.78,-1.16,;-.55,-.39,;-.55,1.15,;.78,1.92,;2.27,1.52,;2.67,3.01,;4,3.78,;5.33,3.01,;6.67,3.78,;6.67,5.32,;8,3.01,;8.4,1.52,;9.89,1.92,;9.49,3.41,;1.18,3.41,;2.11,-3.47,;2.28,-5,;3.78,-5.32,;4.55,-3.99,;6.06,-3.67,;6.53,-2.2,;5.5,-1.06,;4,-1.38,;3.52,-2.84,;8.02,-1.8,;9.51,-1.4,)|
COC(=O)N[C@H]1C[C@H](CNc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)C1 |r,wU:20.21,5.4,wD:7.7,(4.97,5.86,;3.64,5.09,;2.3,5.86,;2.3,7.4,;.97,5.09,;.97,3.55,;2.06,2.47,;.97,1.38,;.97,-.16,;-.36,-.93,;-.36,-2.47,;.97,-3.24,;.97,-4.78,;-.36,-5.55,;-1.7,-4.78,;-1.7,-3.24,;-3.03,-2.47,;-3.03,-.93,;-4.36,-3.24,;-5.7,-2.47,;-7.03,-3.24,;-7.03,-4.78,;-8.37,-2.47,;-9.7,-3.24,;-8.37,-.93,;-9.7,-1.7,;2.3,-5.55,;2.47,-7.08,;3.97,-7.4,;4.74,-6.07,;6.25,-5.75,;6.72,-4.29,;5.69,-3.14,;4.19,-3.46,;3.71,-4.93,;8.21,-3.89,;9.7,-3.49,;-.12,2.47,)|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC1CCO1)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC1COC1)-c1ccc2cc(cnn12)C#N
COC(=O)N[C@@]1(C)CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.25,5.4,wD:9.12,5.5,(8.97,3.62,;7.64,4.39,;6.31,3.62,;6.31,2.08,;4.97,4.39,;3.64,3.62,;3.64,5.16,;3.64,2.08,;2.3,1.31,;.97,2.08,;.97,3.62,;2.3,4.39,;-.36,1.31,;-.36,-.23,;.97,-1,;.97,-2.54,;-.36,-3.31,;-1.7,-2.54,;-1.7,-1,;-3.03,-.23,;-3.03,1.31,;-4.36,-1,;-5.7,-.23,;-7.03,-1,;-7.03,-2.54,;-8.37,-.23,;-9.7,-1,;-8.37,1.31,;-9.7,.54,;2.3,-3.31,;2.47,-4.84,;3.97,-5.16,;4.74,-3.83,;6.25,-3.51,;6.72,-2.04,;5.69,-.9,;4.19,-1.22,;3.71,-2.68,;8.21,-1.64,;9.7,-1.25,)|
COC(=O)N[C@]1(C)CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:9.12,23.25,5.4,wD:5.5,(8.97,3.62,;7.64,4.39,;6.31,3.62,;6.31,2.08,;4.97,4.39,;3.64,3.62,;3.64,5.16,;2.3,4.39,;.97,3.62,;.97,2.08,;2.3,1.31,;3.64,2.08,;-.36,1.31,;-.36,-.23,;.97,-1,;.97,-2.54,;-.36,-3.31,;-1.7,-2.54,;-1.7,-1,;-3.03,-.23,;-3.03,1.31,;-4.36,-1,;-5.7,-.23,;-7.03,-1,;-7.03,-2.54,;-8.37,-.23,;-9.7,-1,;-8.37,1.31,;-9.7,.54,;2.3,-3.31,;2.47,-4.84,;3.97,-5.16,;4.74,-3.83,;6.25,-3.51,;6.72,-2.04,;5.69,-.9,;4.19,-1.22,;3.71,-2.68,;8.21,-1.64,;9.7,-1.25,)|
COC(=O)N(C)C[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,7.6,wD:9.11,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;5.52,1.47,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCc1ncco1)-c1ccc2cc(cnn12)C#N
CC(C)(O)c1coc(CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)n1
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC#C)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCc1ccc[nH]c1=O)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)-c1cnco1)-c1ccc2cc(cnn12)C#N |r|
FC1(F)CN(C1)C(=O)CNC(=O)c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1nnco1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1cocn1)-c1ccc2cc(cnn12)C#N |r|
Cc1ncoc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1cnco1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.38,3.22,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|
Cc1ncoc1[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:9.13,23.26,wD:6.6,(6.7,1.72,;6.38,3.22,;7.41,4.37,;6.64,5.7,;5.13,5.38,;4.97,3.85,;3.64,3.08,;2.3,3.85,;.97,3.08,;.97,1.54,;2.3,.77,;3.64,1.54,;-.36,.77,;-.36,-.77,;.97,-1.54,;.97,-3.08,;-.36,-3.85,;-1.7,-3.08,;-1.7,-1.54,;-3.03,-.77,;-3.03,.77,;-4.36,-1.54,;-5.7,-.77,;-7.03,-1.54,;-7.03,-3.08,;-8.37,-.77,;-9.7,-1.54,;-8.37,.77,;-9.7,,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|
Cc1ncoc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(OC2)c1cnco1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;2.1,3.08,;2.51,1.54,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.38,3.22,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|
Cc1ncoc1C12CCC(CC1)(CO2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:25.29,(6.7,1.72,;6.38,3.22,;7.41,4.37,;6.64,5.7,;5.13,5.38,;4.97,3.85,;3.64,3.08,;2.3,3.85,;.97,3.08,;.97,1.54,;2.51,1.54,;2.1,3.08,;2.3,.77,;3.64,1.54,;-.36,.77,;-.36,-.77,;.97,-1.54,;.97,-3.08,;-.36,-3.85,;-1.7,-3.08,;-1.7,-1.54,;-3.03,-.77,;-3.03,.77,;-4.36,-1.54,;-5.7,-.77,;-7.03,-1.54,;-7.03,-3.08,;-8.37,-.77,;-9.7,-1.54,;-8.37,.77,;-9.7,,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|
CCOc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cnc1-c1cnco1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(Cc2cnco2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;1.37,4.18,;2.86,3.78,;4.19,4.55,;5.52,3.78,;5.68,2.25,;7.19,1.93,;7.96,3.26,;6.93,4.41,;2.46,2.29,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1nnco1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.52,3.13,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1cnco1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.52,3.13,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)-c1cnco1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1nncs1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.52,3.13,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C1(O)CC1)-c1ccc2cc(cnn12)C#N |r|
Cc1ncc(o1)C1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.26,(7.27,6.41,;6.64,5,;7.41,3.66,;6.52,2.43,;4.97,3.15,;5.13,4.68,;3.64,2.38,;3.64,.84,;2.3,.07,;.97,.84,;.97,2.38,;2.3,3.15,;-.36,.07,;-.36,-1.47,;.97,-2.24,;.97,-3.78,;-.36,-4.55,;-1.7,-3.78,;-1.7,-2.24,;-3.03,-1.47,;-3.03,.07,;-4.36,-2.24,;-5.7,-1.47,;-7.03,-2.24,;-7.03,-3.78,;-8.37,-1.47,;-9.7,-2.24,;-8.37,.07,;-9.7,-.7,;2.3,-4.55,;2.47,-6.08,;3.97,-6.41,;4.74,-5.07,;6.25,-4.75,;6.72,-3.29,;5.69,-2.14,;4.19,-2.46,;3.71,-3.93,;8.21,-2.89,;9.7,-2.49,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2c(N)n[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|
COCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(OC2COC2)nc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2NC(=O)Cc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2OC(F)(F)Oc2c1)-c1ccc2cc(cnn12)C#N |r|
CN1C(=O)C(C)(C)c2ccc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)cc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2NC(=O)C(C)(C)c2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)OCC(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-10.95,-1.16,;-9.61,-.39,;-9.61,1.15,;-10.95,.38,;-8.28,-1.16,;-8.28,-2.7,;-6.94,-.39,;-5.61,-1.16,;-4.28,-.39,;-4.28,1.15,;-2.94,-1.16,;-2.94,-2.7,;-1.61,-3.47,;-.28,-2.7,;-.28,-1.16,;-1.61,-.39,;-1.61,1.15,;-.28,1.92,;1.21,1.52,;1.61,3.01,;2.94,3.78,;4.28,3.01,;5.61,3.78,;5.61,5.32,;6.94,3.01,;8.28,3.78,;9.61,3.01,;10.95,2.24,;10.38,4.34,;8.84,1.68,;.12,3.41,;1.06,-3.47,;1.22,-5,;2.72,-5.32,;3.49,-3.99,;5,-3.67,;5.48,-2.2,;4.45,-1.06,;2.94,-1.38,;2.46,-2.84,;6.96,-1.8,;8.45,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)CC(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-10.28,-1.16,;-8.95,-.39,;-8.95,1.15,;-10.28,.38,;-7.61,-1.16,;-7.61,-2.7,;-6.28,-.39,;-4.94,-1.16,;-3.61,-.39,;-3.61,1.15,;-2.28,-1.16,;-2.28,-2.7,;-.94,-3.47,;.39,-2.7,;.39,-1.16,;-.94,-.39,;-.94,1.15,;.39,1.92,;1.88,1.52,;2.28,3.01,;3.61,3.78,;4.94,3.01,;6.28,3.78,;6.28,5.32,;7.61,3.01,;8.95,3.78,;10.28,3.01,;8.95,5.32,;10.28,4.55,;.79,3.41,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)CC(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-10.28,-1.16,;-8.95,-.39,;-8.95,1.15,;-10.28,.38,;-7.61,-1.16,;-7.61,-2.7,;-6.28,-.39,;-4.94,-1.16,;-3.61,-.39,;-3.61,1.15,;-2.28,-1.16,;-2.28,-2.7,;-.94,-3.47,;.39,-2.7,;.39,-1.16,;-.94,-.39,;-.94,1.15,;.39,1.92,;1.88,1.52,;2.28,3.01,;3.61,3.78,;4.94,3.01,;6.28,3.78,;6.28,5.32,;7.61,3.01,;8.95,3.78,;10.28,3.01,;8.95,5.32,;.79,3.41,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(N)nc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(N)nc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,24.24,wD:17.17,26.28,(-10.38,-1.16,;-9.05,-.39,;-9.05,1.15,;-10.38,.38,;-7.71,-1.16,;-7.71,-2.7,;-6.38,-.39,;-5.05,-1.16,;-3.71,-.39,;-3.71,1.15,;-2.38,-1.16,;-2.38,-2.7,;-1.05,-3.47,;.29,-2.7,;.29,-1.16,;-1.05,-.39,;-1.05,1.15,;.29,1.92,;1.78,1.52,;2.17,3.01,;3.51,3.78,;4.84,3.01,;6.17,3.78,;6.17,5.32,;7.51,3.01,;8.28,1.68,;9.05,3.01,;10.38,3.78,;.69,3.41,;1.62,-3.47,;1.78,-5,;3.29,-5.32,;4.06,-3.99,;5.56,-3.67,;6.04,-2.2,;5.01,-1.06,;3.5,-1.38,;3.03,-2.84,;7.53,-1.8,;9.02,-1.4,)|
Cc1n[nH]c2cc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)ccc12 |r|
CNc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(=O)Nc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
COCCOc1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CO)nc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2NC(=O)C3(CC3)c2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)C1CC1)-c1ccc2cc(cnn12)C#N |r|
COc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)nc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc2NC(=O)Cc2c1)-c1ccc2cc(cnn12)C#N |r|
CN(C)c1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CO)cn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1Cc2ccncc2C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)c1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CC#N)nc1)-c1ccc2cc(cnn12)C#N |r|
CN(C)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CCc1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)N1CCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)C(C)(C)C#N)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CC2(COC2)C1)-c1ccc2cc(cnn12)C#N |r|
COc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1N1CCOCC1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(F)cn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)N1CCS(=O)(=O)CC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)N1CC2(C1)CCOCC2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(C)(CC1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-1.76,;-8.37,-.99,;-8.37,.55,;-9.7,-.22,;-7.03,-1.76,;-7.03,-3.3,;-5.7,-.99,;-4.36,-1.76,;-3.03,-.99,;-3.03,.55,;-1.7,-1.76,;-1.7,-3.3,;-.36,-4.07,;.97,-3.3,;.97,-1.76,;-.36,-.99,;-.36,.55,;.97,1.32,;2.3,.55,;3.64,1.32,;3.64,2.86,;3.64,4.4,;2.3,3.63,;.97,2.86,;4.97,3.63,;6.31,2.86,;7.66,3.63,;7.66,5.17,;6.33,5.92,;4.97,5.17,;2.3,-4.07,;2.47,-5.6,;3.97,-5.92,;4.74,-4.59,;6.25,-4.27,;6.72,-2.81,;5.69,-1.66,;4.19,-1.98,;3.71,-3.45,;8.21,-2.41,;9.7,-2.01,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CN)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;2.46,2.29,;2.86,3.78,;4.19,4.55,;5.52,3.78,;1.37,4.18,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1-c1ccc2cc(cnn12)C#N)-c1ccc2cc(cnn12)C#N |r|
Cc1nnc(NC[C@H]2C[C@@H](C2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)o1 |r,wU:22.24,7.6,wD:9.11,(10.27,3.42,;8.78,3.82,;8.3,5.28,;6.76,5.28,;6.29,3.82,;4.96,3.05,;3.62,3.82,;2.29,3.05,;1.89,1.56,;.4,1.96,;.8,3.45,;-.93,1.19,;-.93,-.35,;.4,-1.12,;.4,-2.66,;-.93,-3.43,;-2.27,-2.66,;-2.27,-1.12,;-3.6,-.35,;-3.6,1.19,;-4.93,-1.12,;-6.27,-.35,;-7.6,-1.12,;-7.6,-2.66,;-8.93,-.35,;-10.27,-1.12,;-8.93,1.19,;-10.27,.42,;1.74,-3.43,;1.9,-4.96,;3.4,-5.28,;4.17,-3.95,;5.68,-3.63,;6.15,-2.16,;5.12,-1.02,;3.62,-1.34,;3.14,-2.8,;7.64,-1.77,;9.13,-1.37,;7.53,2.91,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2CC2(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-10.38,-1.16,;-9.05,-.39,;-9.05,1.15,;-10.38,.38,;-7.71,-1.16,;-7.71,-2.7,;-6.38,-.39,;-5.05,-1.16,;-3.71,-.39,;-3.71,1.15,;-2.38,-1.16,;-2.38,-2.7,;-1.05,-3.47,;.29,-2.7,;.29,-1.16,;-1.05,-.39,;-1.05,1.15,;.29,1.92,;1.78,1.52,;2.17,3.01,;3.51,3.78,;4.84,3.01,;6.17,3.78,;6.17,5.32,;7.51,3.01,;8.28,1.68,;9.05,3.01,;10.38,3.78,;9.05,4.55,;.69,3.41,;1.62,-3.47,;1.78,-5,;3.29,-5.32,;4.06,-3.99,;5.56,-3.67,;6.04,-2.2,;5.01,-1.06,;3.5,-1.38,;3.03,-2.84,;7.53,-1.8,;9.02,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNc2nnc(o2)C2CC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-11.01,-1.12,;-9.68,-.35,;-9.68,1.19,;-11.01,.42,;-8.34,-1.12,;-8.34,-2.66,;-7.01,-.35,;-5.68,-1.12,;-4.34,-.35,;-4.34,1.19,;-3.01,-1.12,;-3.01,-2.66,;-1.68,-3.43,;-.34,-2.66,;-.34,-1.12,;-1.68,-.35,;-1.68,1.19,;-.34,1.96,;1.15,1.56,;1.54,3.05,;2.88,3.82,;4.21,3.05,;5.54,3.82,;6.02,5.28,;7.56,5.28,;8.04,3.82,;6.79,2.91,;9.52,3.42,;10.61,2.33,;11.01,3.82,;.06,3.45,;.99,-3.43,;1.15,-4.96,;2.66,-5.28,;3.43,-3.95,;4.94,-3.63,;5.41,-2.16,;4.38,-1.02,;2.87,-1.34,;2.4,-2.8,;6.9,-1.77,;8.39,-1.37,)|
COCc1nnc(NC[C@H]2C[C@@H](C2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)o1 |r,wU:24.26,9.8,wD:11.13,(11.56,4.11,;10.07,4.51,;8.98,3.42,;7.49,3.82,;7.02,5.28,;5.48,5.28,;5,3.82,;3.67,3.05,;2.33,3.82,;1,3.05,;.6,1.56,;-.89,1.96,;-.49,3.45,;-2.22,1.19,;-2.22,-.35,;-.89,-1.12,;-.89,-2.66,;-2.22,-3.43,;-3.55,-2.66,;-3.55,-1.12,;-4.89,-.35,;-4.89,1.19,;-6.22,-1.12,;-7.56,-.35,;-8.89,-1.12,;-8.89,-2.66,;-10.22,-.35,;-11.56,-1.12,;-10.22,1.19,;-11.56,.42,;.45,-3.43,;.61,-4.96,;2.11,-5.28,;2.88,-3.95,;4.39,-3.63,;4.87,-2.16,;3.84,-1.02,;2.33,-1.34,;1.85,-2.8,;6.35,-1.77,;7.84,-1.37,;6.25,2.91,)|
COC(=O)NC[C@H]1C[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:21.23,wD:8.10,6.5,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;1.37,3.41,;.97,1.92,;2.46,1.52,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,24.24,wD:17.17,(-10.38,-1.16,;-9.05,-.39,;-9.05,1.15,;-10.38,.38,;-7.71,-1.16,;-7.71,-2.7,;-6.38,-.39,;-5.05,-1.16,;-3.71,-.39,;-3.71,1.15,;-2.38,-1.16,;-2.38,-2.7,;-1.05,-3.47,;.29,-2.7,;.29,-1.16,;-1.05,-.39,;-1.05,1.15,;.29,1.92,;1.78,1.52,;2.17,3.01,;3.51,3.78,;4.84,3.01,;6.17,3.78,;6.17,5.32,;7.51,3.01,;8.28,1.68,;9.05,3.01,;10.38,3.78,;9.05,4.55,;.69,3.41,;1.62,-3.47,;1.78,-5,;3.29,-5.32,;4.06,-3.99,;5.56,-3.67,;6.04,-2.2,;5.01,-1.06,;3.5,-1.38,;3.03,-2.84,;7.53,-1.8,;9.02,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNCC(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-.77,;-8.37,-0,;-8.37,1.54,;-9.7,.77,;-7.03,-.77,;-7.03,-2.31,;-5.7,-0,;-4.36,-.77,;-3.03,-0,;-3.03,1.54,;-1.7,-.77,;-1.7,-2.31,;-.36,-3.08,;.97,-2.31,;.97,-.77,;-.36,-0,;-.36,1.54,;.97,2.31,;2.46,1.91,;2.86,3.4,;4.19,4.17,;5.52,3.4,;6.86,4.17,;8.19,3.4,;9.53,4.17,;8.19,1.86,;8.19,4.94,;1.37,3.79,;2.3,-3.08,;2.47,-4.62,;3.97,-4.94,;4.74,-3.6,;6.25,-3.28,;6.72,-1.82,;5.69,-.67,;4.19,-.99,;3.71,-2.46,;8.21,-1.42,;9.7,-1.02,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CN2CCOCC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;2.46,2.29,;2.86,3.78,;4.19,4.55,;5.52,3.78,;5.52,2.24,;6.86,1.47,;8.19,2.24,;8.19,3.78,;6.86,4.55,;1.37,4.18,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC2COC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-1.13,;-8.37,-.36,;-8.37,1.18,;-9.7,.41,;-7.03,-1.13,;-7.03,-2.67,;-5.7,-.36,;-4.36,-1.13,;-3.03,-.36,;-3.03,1.18,;-1.7,-1.13,;-1.7,-2.67,;-.36,-3.44,;.97,-2.67,;.97,-1.13,;-.36,-.36,;-.36,1.18,;.97,1.95,;2.46,1.55,;2.86,3.04,;4.19,3.81,;5.52,3.04,;6.86,3.81,;8.35,3.41,;8.74,4.9,;7.26,5.29,;1.37,3.44,;2.3,-3.44,;2.47,-4.97,;3.97,-5.29,;4.74,-3.96,;6.25,-3.64,;6.72,-2.18,;5.69,-1.03,;4.19,-1.35,;3.71,-2.82,;8.21,-1.78,;9.7,-1.38,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](Cn2cc(nn2)C2CC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-10.27,-.39,;-8.93,.38,;-8.93,1.92,;-10.27,1.15,;-7.6,-.39,;-7.6,-1.93,;-6.27,.38,;-4.93,-.39,;-3.6,.38,;-3.6,1.92,;-2.26,-.39,;-2.26,-1.93,;-.93,-2.7,;.4,-1.93,;.4,-.39,;-.93,.38,;-.93,1.92,;.4,2.69,;1.89,2.29,;2.29,3.78,;3.62,4.55,;4.96,3.78,;6.36,4.41,;7.39,3.26,;6.62,1.93,;5.12,2.25,;8.93,3.26,;10.27,2.49,;10.27,4.03,;.8,4.18,;1.74,-2.7,;1.9,-4.23,;3.4,-4.55,;4.17,-3.22,;5.68,-2.9,;6.16,-1.43,;5.13,-.29,;3.62,-.61,;3.14,-2.07,;7.64,-1.03,;9.13,-.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCc1ccc(F)cc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H](C1)Oc1ccccc1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.22,wD:17.17,(-9.7,-2.7,;-8.37,-1.93,;-8.37,-.39,;-9.7,-1.16,;-7.03,-2.7,;-7.03,-4.24,;-5.7,-1.93,;-4.36,-2.7,;-3.03,-1.93,;-3.03,-.39,;-1.7,-2.7,;-1.7,-4.24,;-.36,-5.01,;.97,-4.24,;.97,-2.7,;-.36,-1.93,;-.36,-.39,;.97,.38,;2.46,-.02,;2.86,1.47,;1.37,1.87,;4.19,2.24,;4.19,3.78,;5.52,4.55,;5.52,6.09,;4.19,6.86,;2.86,6.09,;2.86,4.55,;2.3,-5.01,;2.47,-6.54,;3.97,-6.86,;4.74,-5.53,;6.25,-5.21,;6.72,-3.74,;5.69,-2.6,;4.19,-2.92,;3.71,-4.38,;8.21,-3.34,;9.7,-2.94,)|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC1(F)CC1)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC1(COC1)C(F)F)-c1ccc2cc(cnn12)C#N
OCC1(CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)COC1
CC(C)Nc1cc(ncc1C(=O)NCCC(O)C(F)(F)F)-c1ccc2cc(cnn12)C#N
COCC1CCC1CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CN2CCOC2=O)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-2.34,;-8.37,-1.57,;-8.37,-.03,;-9.7,-.8,;-7.03,-2.34,;-7.03,-3.88,;-5.7,-1.57,;-4.36,-2.34,;-3.03,-1.57,;-3.03,-.03,;-1.7,-2.34,;-1.7,-3.88,;-.36,-4.65,;.97,-3.88,;.97,-2.34,;-.36,-1.57,;-.36,-.03,;.97,.74,;2.46,.34,;2.86,1.83,;4.19,2.6,;4.19,4.14,;5.44,5.04,;4.96,6.51,;3.42,6.51,;2.94,5.04,;1.46,4.64,;1.37,2.22,;2.3,-4.65,;2.47,-6.19,;3.97,-6.51,;4.74,-5.17,;6.25,-4.85,;6.72,-3.39,;5.69,-2.24,;4.19,-2.56,;3.71,-4.03,;8.21,-2.99,;9.7,-2.59,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](CN2CCOC2=O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,20.21,wD:17.17,(-9.7,-1.29,;-8.37,-.52,;-8.37,1.02,;-9.7,.25,;-7.03,-1.29,;-7.03,-2.83,;-5.7,-.52,;-4.36,-1.29,;-3.03,-.52,;-3.03,1.02,;-1.7,-1.29,;-1.7,-2.83,;-.36,-3.6,;.97,-2.83,;.97,-1.29,;-.36,-.52,;-.36,1.02,;.97,1.79,;2.3,1.02,;3.64,1.79,;3.64,3.33,;4.97,4.1,;6.31,3.33,;6.47,1.8,;7.97,1.48,;8.74,2.82,;7.71,3.96,;8.11,5.45,;2.3,4.1,;.97,3.33,;2.3,-3.6,;2.47,-5.13,;3.97,-5.45,;4.74,-4.11,;6.25,-3.79,;6.72,-2.33,;5.69,-1.18,;4.19,-1.51,;3.71,-2.97,;8.21,-1.93,;9.7,-1.53,)|
COC(=O)NCCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NCCCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NCC(C)(C)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(Cn2ccccc2=O)cc1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NCCCC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NCCC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,20.24,wD:17.17,(-9.7,-2.29,;-8.37,-1.52,;-8.37,.02,;-9.7,-.75,;-7.03,-2.29,;-7.03,-3.83,;-5.7,-1.52,;-4.36,-2.29,;-3.03,-1.52,;-3.03,.02,;-1.7,-2.29,;-1.7,-3.83,;-.36,-4.6,;.97,-3.83,;.97,-2.29,;-.36,-1.52,;-.36,.02,;.97,.79,;2.3,.02,;3.64,.79,;3.64,2.33,;2.3,3.1,;.97,2.33,;4.97,3.1,;6.44,2.63,;7.34,3.87,;6.44,5.12,;7.98,5.12,;7.21,6.45,;4.97,4.64,;2.3,-4.6,;2.47,-6.13,;3.97,-6.45,;4.74,-5.12,;6.25,-4.8,;6.72,-3.33,;5.69,-2.19,;4.19,-2.51,;3.71,-3.97,;8.21,-2.93,;9.7,-2.53,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](CC1)N1CCC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,20.24,(-9.7,-2.29,;-8.37,-1.52,;-8.37,.02,;-9.7,-.75,;-7.03,-2.29,;-7.03,-3.83,;-5.7,-1.52,;-4.36,-2.29,;-3.03,-1.52,;-3.03,.02,;-1.7,-2.29,;-1.7,-3.83,;-.36,-4.6,;.97,-3.83,;.97,-2.29,;-.36,-1.52,;-.36,.02,;.97,.79,;.97,2.33,;2.3,3.1,;3.64,2.33,;3.64,.79,;2.3,.02,;4.97,3.1,;6.44,2.63,;7.34,3.87,;6.44,5.12,;7.98,5.12,;7.21,6.45,;4.97,4.64,;2.3,-4.6,;2.47,-6.13,;3.97,-6.45,;4.74,-5.12,;6.25,-4.8,;6.72,-3.33,;5.69,-2.19,;4.19,-2.51,;3.71,-3.97,;8.21,-2.93,;9.7,-2.53,)|
CNC(=O)OC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:21.23,6.5,wD:8.10,(8.19,5.71,;6.86,4.94,;6.86,3.4,;8.19,2.63,;5.52,2.63,;4.19,3.4,;2.86,2.63,;2.46,1.14,;.97,1.54,;1.37,3.02,;-.36,.77,;-.36,-.77,;.97,-1.54,;.97,-3.08,;-.36,-3.85,;-1.7,-3.08,;-1.7,-1.54,;-3.03,-.77,;-3.03,.77,;-4.36,-1.54,;-5.7,-.77,;-7.03,-1.54,;-7.03,-3.08,;-8.37,-.77,;-9.7,-1.54,;-8.37,.77,;-9.7,-0,;2.3,-3.85,;2.47,-5.39,;3.97,-5.71,;4.74,-4.37,;6.25,-4.05,;6.72,-2.59,;5.69,-1.44,;4.19,-1.76,;3.71,-3.23,;8.21,-2.19,;9.7,-1.79,)|
COC(=O)NC(C)(C)CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NC(C)(C)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)OCC(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-2.7,;-8.37,-1.93,;-8.37,-.39,;-9.7,-1.16,;-7.03,-2.7,;-7.03,-4.24,;-5.7,-1.93,;-4.36,-2.7,;-3.03,-1.93,;-3.03,-.39,;-1.7,-2.7,;-1.7,-4.24,;-.36,-5.01,;.97,-4.24,;.97,-2.7,;-.36,-1.93,;-.36,-.39,;.97,.38,;2.46,-.02,;2.86,1.47,;4.19,2.24,;5.52,1.47,;6.86,2.24,;8.19,1.47,;6.86,3.78,;8.19,4.55,;8.19,6.09,;9.53,6.86,;6.86,6.86,;1.37,1.87,;2.3,-5.01,;2.47,-6.54,;3.97,-6.86,;4.74,-5.53,;6.25,-5.21,;6.72,-3.74,;5.69,-2.6,;4.19,-2.92,;3.71,-4.38,;8.21,-3.34,;9.7,-2.94,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](Cn2ccccc2=O)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-1.16,;-8.37,-.39,;-8.37,1.15,;-9.7,.38,;-7.03,-1.16,;-7.03,-2.7,;-5.7,-.39,;-4.36,-1.16,;-3.03,-.39,;-3.03,1.15,;-1.7,-1.16,;-1.7,-2.7,;-.36,-3.47,;.97,-2.7,;.97,-1.16,;-.36,-.39,;-.36,1.15,;.97,1.92,;2.46,1.52,;2.86,3.01,;4.19,3.78,;5.52,3.01,;5.52,1.47,;6.86,.7,;8.19,1.47,;8.19,3.01,;6.86,3.78,;6.86,5.32,;1.37,3.41,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@H](CO)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,19.20,(-9.7,-1.16,;-8.37,-.39,;-8.37,1.15,;-9.7,.38,;-7.03,-1.16,;-7.03,-2.7,;-5.7,-.39,;-4.36,-1.16,;-3.03,-.39,;-3.03,1.15,;-1.7,-1.16,;-1.7,-2.7,;-.36,-3.47,;.97,-2.7,;.97,-1.16,;-.36,-.39,;-.36,1.15,;.97,1.92,;2.46,1.52,;2.86,3.01,;4.19,3.78,;4.19,5.32,;1.37,3.41,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
COC(=O)N[C@@H]1C[C@H](CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)C1 |r,wD:7.7,5.4,(-11.98,-1.7,;-10.64,-2.47,;-9.31,-1.7,;-9.31,-.16,;-7.97,-2.47,;-6.64,-1.7,;-6.24,-.22,;-4.75,-.61,;-3.42,.16,;-2.09,-.61,;-.75,.16,;-.75,1.7,;.58,-.61,;.58,-2.15,;1.91,-2.92,;3.25,-2.15,;3.25,-.61,;1.91,.16,;1.91,1.7,;3.25,2.47,;4.58,1.7,;5.91,2.47,;5.91,4.01,;7.25,4.78,;4.58,4.78,;3.25,4.01,;5.14,2.67,;4.02,3.8,;4.58,-2.92,;4.74,-4.46,;6.25,-4.78,;7.02,-3.44,;8.52,-3.12,;9,-1.66,;7.97,-.51,;6.46,-.83,;5.99,-2.3,;10.49,-1.26,;11.98,-.86,;-5.15,-2.1,)|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@H]1C[C@H](C1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wD:20.22,22.27,(7.35,4.78,;6.02,4.01,;6.02,2.47,;4.68,1.7,;3.35,2.47,;3.35,4.01,;4.68,4.78,;4.12,3.8,;5.25,2.67,;2.02,1.7,;2.02,.16,;3.35,-.61,;3.35,-2.15,;2.02,-2.92,;.68,-2.15,;.68,-.61,;-.65,.16,;-.65,1.7,;-1.98,-.61,;-3.32,.16,;-4.65,-.61,;-6.14,-.22,;-6.54,-1.7,;-5.05,-2.1,;-7.87,-2.47,;-9.21,-1.7,;-9.21,-.16,;-10.54,-2.47,;-12.08,-2.47,;-11.31,-3.81,;4.68,-2.92,;4.84,-4.46,;6.35,-4.78,;7.12,-3.44,;8.63,-3.12,;9.1,-1.66,;8.07,-.51,;6.57,-.83,;6.09,-2.3,;10.59,-1.26,;12.08,-.86,)|
COC(=O)N[C@H]1C[C@H](CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)C1 |r,wU:5.4,wD:7.7,(-11.98,-1.7,;-10.64,-2.47,;-9.31,-1.7,;-9.31,-.16,;-7.97,-2.47,;-6.64,-1.7,;-6.24,-.22,;-4.75,-.61,;-3.42,.16,;-2.09,-.61,;-.75,.16,;-.75,1.7,;.58,-.61,;.58,-2.15,;1.91,-2.92,;3.25,-2.15,;3.25,-.61,;1.91,.16,;1.91,1.7,;3.25,2.47,;4.58,1.7,;5.91,2.47,;5.91,4.01,;7.25,4.78,;4.58,4.78,;3.25,4.01,;5.14,2.67,;4.02,3.8,;4.58,-2.92,;4.74,-4.46,;6.25,-4.78,;7.02,-3.44,;8.52,-3.12,;9,-1.66,;7.97,-.51,;6.46,-.83,;5.99,-2.3,;10.49,-1.26,;11.98,-.86,;-5.15,-2.1,)|
CN(C)C(=O)OC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,7.6,wD:9.11,(8.19,5.71,;6.86,4.94,;5.52,5.71,;6.86,3.4,;8.19,2.63,;5.52,2.63,;4.19,3.4,;2.86,2.63,;2.46,1.14,;.97,1.54,;1.37,3.02,;-.36,.77,;-.36,-.77,;.97,-1.54,;.97,-3.08,;-.36,-3.85,;-1.7,-3.08,;-1.7,-1.54,;-3.03,-.77,;-3.03,.77,;-4.36,-1.54,;-5.7,-.77,;-7.03,-1.54,;-7.03,-3.08,;-8.37,-.77,;-9.7,-1.54,;-8.37,.77,;-9.7,-0,;2.3,-3.85,;2.47,-5.39,;3.97,-5.71,;4.74,-4.37,;6.25,-4.05,;6.72,-2.59,;5.69,-1.44,;4.19,-1.76,;3.71,-3.23,;8.21,-2.19,;9.7,-1.79,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](COC(=O)NC2CC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.72,-2.21,;-8.38,-1.44,;-8.38,.1,;-9.72,-.67,;-7.05,-2.21,;-7.05,-3.75,;-5.71,-1.44,;-4.38,-2.21,;-3.05,-1.44,;-3.05,.1,;-1.71,-2.21,;-1.71,-3.75,;-.38,-4.52,;.95,-3.75,;.95,-2.21,;-.38,-1.44,;-.38,.1,;.95,.87,;2.44,.47,;2.84,1.96,;4.17,2.73,;5.51,1.96,;6.84,2.73,;8.18,1.96,;6.84,4.27,;8.18,5.04,;9.72,5.04,;8.95,6.37,;1.35,2.36,;2.29,-4.52,;2.45,-6.05,;3.96,-6.37,;4.73,-5.04,;6.23,-4.72,;6.71,-3.25,;5.68,-2.11,;4.17,-2.43,;3.69,-3.89,;8.2,-2.86,;9.68,-2.46,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](COC(=O)NCC(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-2.7,;-8.37,-1.93,;-8.37,-.39,;-9.7,-1.16,;-7.03,-2.7,;-7.03,-4.24,;-5.7,-1.93,;-4.36,-2.7,;-3.03,-1.93,;-3.03,-.39,;-1.7,-2.7,;-1.7,-4.24,;-.36,-5.01,;.97,-4.24,;.97,-2.7,;-.36,-1.93,;-.36,-.39,;.97,.38,;2.46,-.02,;2.86,1.47,;4.19,2.24,;5.52,1.47,;6.86,2.24,;8.19,1.47,;6.86,3.78,;8.19,4.55,;8.19,6.09,;9.53,6.86,;6.86,6.86,;1.37,1.87,;2.3,-5.01,;2.47,-6.54,;3.97,-6.86,;4.74,-5.53,;6.25,-5.21,;6.72,-3.74,;5.69,-2.6,;4.19,-2.92,;3.71,-4.38,;8.21,-3.34,;9.7,-2.94,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](COC(=O)N2CCC(F)(F)C2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-3.01,;-8.37,-2.24,;-8.37,-.7,;-9.7,-1.47,;-7.03,-3.01,;-7.03,-4.55,;-5.7,-2.24,;-4.36,-3.01,;-3.03,-2.24,;-3.03,-.7,;-1.7,-3.01,;-1.7,-4.55,;-.36,-5.32,;.97,-4.55,;.97,-3.01,;-.36,-2.24,;-.36,-.7,;.97,.07,;2.46,-.33,;2.86,1.16,;4.19,1.93,;5.52,1.16,;6.86,1.93,;8.19,1.16,;6.86,3.47,;5.61,4.37,;6.09,5.84,;7.63,5.84,;8.4,7.17,;6.86,7.17,;8.1,4.37,;1.37,1.56,;2.3,-5.32,;2.47,-6.85,;3.97,-7.17,;4.74,-5.84,;6.25,-5.52,;6.72,-4.05,;5.69,-2.91,;4.19,-3.23,;3.71,-4.69,;8.21,-3.65,;9.7,-3.26,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](COC(=O)N2CC(F)(F)C2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-2.79,;-8.37,-2.02,;-8.37,-.48,;-9.7,-1.25,;-7.03,-2.79,;-7.03,-4.33,;-5.7,-2.02,;-4.36,-2.79,;-3.03,-2.02,;-3.03,-.48,;-1.7,-2.79,;-1.7,-4.33,;-.36,-5.1,;.97,-4.33,;.97,-2.79,;-.36,-2.02,;-.36,-.48,;.97,.29,;2.46,-.11,;2.86,1.38,;4.19,2.15,;5.52,1.38,;6.86,2.15,;8.19,1.38,;6.86,3.69,;7.95,4.78,;6.86,5.86,;5.77,6.95,;7.95,6.95,;5.77,4.78,;1.37,1.78,;2.3,-5.1,;2.47,-6.63,;3.97,-6.95,;4.74,-5.62,;6.25,-5.3,;6.72,-3.84,;5.69,-2.69,;4.19,-3.01,;3.71,-4.48,;8.21,-3.44,;9.7,-3.04,)|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC1(F)CCC1)-c1ccc2cc(cnn12)C#N
CC(C)(F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
COC(=O)N1CC[C@H](CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)C1 |r|
COC(=O)N1CC[C@@H](CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)C1 |r|
CNC(=O)OC[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CC(CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)C1
OCCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
COC(=O)NCCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CNC(=O)OC[C@@H]1C[C@H]1Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(C1)CC(F)(F)C2)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N[C@H]1CC[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CC[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
COC(=O)NC1CC2(C1)CC(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.26,(9.89,4.32,;8.55,5.09,;7.22,4.32,;7.22,2.78,;5.89,5.09,;4.55,4.32,;4.15,2.84,;2.67,3.24,;3.07,4.72,;2.27,1.75,;.78,2.15,;1.18,3.63,;-.55,1.38,;-.55,-.16,;.78,-.93,;.78,-2.47,;-.55,-3.24,;-1.89,-2.47,;-1.89,-.93,;-3.22,-.16,;-3.22,1.38,;-4.55,-.93,;-5.89,-.16,;-7.22,-.93,;-7.22,-2.47,;-8.55,-.16,;-9.89,-.93,;-8.55,1.38,;-9.89,.61,;2.11,-3.24,;2.28,-4.77,;3.78,-5.09,;4.55,-3.76,;6.06,-3.44,;6.53,-1.98,;5.5,-.83,;4,-1.15,;3.52,-2.62,;8.02,-1.58,;9.51,-1.18,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)-c1ccccn1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NCC1(F)CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,4.5,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
COC(=O)NCC1(O)CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,4.5,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)-c1ccncc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1cncn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(C1)CNC(=O)O2)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-1.76,;-8.37,-.99,;-7.03,-.22,;-8.37,.55,;-7.03,-1.76,;-7.03,-3.3,;-5.7,-.99,;-4.36,-1.76,;-3.03,-.99,;-3.03,.55,;-1.7,-1.76,;-1.7,-3.3,;-.36,-4.07,;.97,-3.3,;.97,-1.76,;-.36,-.99,;-.36,.55,;.97,1.32,;2.46,.93,;2.86,2.41,;1.37,2.81,;4.32,1.94,;5.23,3.18,;4.32,4.43,;4.72,5.92,;2.86,3.95,;2.3,-4.07,;2.47,-5.6,;3.97,-5.92,;4.74,-4.58,;6.25,-4.26,;6.72,-2.8,;5.69,-1.65,;4.19,-1.97,;3.71,-3.44,;8.21,-2.4,;9.7,-2,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)-n1cncn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1ccnc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)-n1ccnc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1cccn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)-n1cccn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1nncs1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1cnnc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1ccon1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1nccn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)-c1ccon1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](Cn2cncn2)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:19.20,(-9.7,-.67,;-8.37,.1,;-8.37,1.64,;-9.7,.87,;-7.03,-.67,;-7.03,-2.21,;-5.7,.1,;-4.36,-.67,;-3.03,.1,;-3.03,1.64,;-1.7,-.67,;-1.7,-2.21,;-.36,-2.98,;.97,-2.21,;.97,-.67,;-.36,.1,;-.36,1.64,;.97,2.41,;1.37,3.89,;2.86,3.5,;4.19,4.27,;5.68,3.87,;6.23,2.43,;7.77,2.51,;8.17,4,;6.87,4.84,;2.46,2.01,;2.3,-2.98,;2.47,-4.52,;3.97,-4.84,;4.74,-3.5,;6.25,-3.18,;6.72,-1.72,;5.69,-.57,;4.19,-.89,;3.71,-2.36,;8.21,-1.32,;9.7,-.92,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1ccon1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.54,;-8.37,-.77,;-7.03,,;-8.37,.77,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;3.64,1.54,;2.3,.77,;4.97,3.85,;5.13,5.38,;6.64,5.7,;7.41,4.37,;6.38,3.22,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)-n1nccn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1nccn1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.62,;-8.37,-.85,;-8.37,.69,;-9.7,-.08,;-7.03,-1.62,;-7.03,-3.16,;-5.7,-.85,;-4.36,-1.62,;-3.03,-.85,;-3.03,.69,;-1.7,-1.62,;-1.7,-3.16,;-.36,-3.93,;.97,-3.16,;.97,-1.62,;-.36,-.85,;-.36,.69,;.97,1.46,;.97,3,;2.3,3.77,;3.64,3,;3.64,1.46,;2.3,.69,;4.97,3.77,;6.44,3.29,;7.34,4.54,;6.44,5.78,;4.97,5.31,;2.3,-3.93,;2.47,-5.46,;3.97,-5.78,;4.74,-4.45,;6.25,-4.13,;6.72,-2.67,;5.69,-1.52,;4.19,-1.84,;3.71,-3.31,;8.21,-2.27,;9.7,-1.87,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC2(COC2)CC1)-c1ccc2cc(cnn12)C#N |r|
Cn1cnc2cc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](Cn2ccnc2)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:19.20,(-9.7,-.67,;-8.37,.1,;-8.37,1.64,;-9.7,.87,;-7.03,-.67,;-7.03,-2.21,;-5.7,.1,;-4.36,-.67,;-3.03,.1,;-3.03,1.64,;-1.7,-.67,;-1.7,-2.21,;-.36,-2.98,;.97,-2.21,;.97,-.67,;-.36,.1,;-.36,1.64,;.97,2.41,;1.37,3.89,;2.86,3.5,;4.19,4.27,;5.68,3.87,;6.87,4.84,;8.17,4,;7.77,2.51,;6.23,2.43,;2.46,2.01,;2.3,-2.98,;2.47,-4.52,;3.97,-4.84,;4.74,-3.5,;6.25,-3.18,;6.72,-1.72,;5.69,-.57,;4.19,-.89,;3.71,-2.36,;8.21,-1.32,;9.7,-.92,)|
COCc1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N
COCCNC(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CC(F)C1)-c1ccc2cc(cnn12)C#N
CNC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:21.23,6.5,wD:8.10,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CN1CCN(CC1)C(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CCCC1)-c1ccc2cc(cnn12)C#N
COC1CN(C1)C(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CCCCC1)-c1ccc2cc(cnn12)C#N
CN1CCN(CC1)C(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:26.29,11.11,wD:13.16,(10.95,.7,;9.61,1.47,;8.28,.7,;6.94,1.47,;6.94,3.01,;8.28,3.78,;9.61,3.01,;5.61,3.78,;5.61,5.32,;4.28,3.01,;2.94,3.78,;1.61,3.01,;1.21,1.52,;-.28,1.92,;.12,3.41,;-1.61,1.15,;-1.61,-.39,;-.28,-1.16,;-.28,-2.7,;-1.61,-3.47,;-2.94,-2.7,;-2.94,-1.16,;-4.28,-.39,;-4.28,1.15,;-5.61,-1.16,;-6.94,-.39,;-8.28,-1.16,;-8.28,-2.7,;-9.61,-.39,;-10.95,-1.16,;-9.61,1.15,;-10.95,.38,;1.06,-3.47,;1.22,-5,;2.72,-5.32,;3.49,-3.99,;5,-3.67,;5.48,-2.2,;4.45,-1.06,;2.94,-1.38,;2.46,-2.84,;6.96,-1.8,;8.45,-1.4,)|
CN1CCC(CC1)C(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:26.29,11.11,wD:13.16,(10.95,.7,;9.61,1.47,;8.28,.7,;6.94,1.47,;6.94,3.01,;8.28,3.78,;9.61,3.01,;5.61,3.78,;5.61,5.32,;4.28,3.01,;2.94,3.78,;1.61,3.01,;1.21,1.52,;-.28,1.92,;.12,3.41,;-1.61,1.15,;-1.61,-.39,;-.28,-1.16,;-.28,-2.7,;-1.61,-3.47,;-2.94,-2.7,;-2.94,-1.16,;-4.28,-.39,;-4.28,1.15,;-5.61,-1.16,;-6.94,-.39,;-8.28,-1.16,;-8.28,-2.7,;-9.61,-.39,;-10.95,-1.16,;-9.61,1.15,;-10.95,.38,;1.06,-3.47,;1.22,-5,;2.72,-5.32,;3.49,-3.99,;5,-3.67,;5.48,-2.2,;4.45,-1.06,;2.94,-1.38,;2.46,-2.84,;6.96,-1.8,;8.45,-1.4,)|
CN1CC(C1)C(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:24.27,9.9,wD:11.14,(10.56,1.15,;9.22,1.92,;7.73,1.52,;7.34,3.01,;8.82,3.41,;6,3.78,;6,5.32,;4.67,3.01,;3.33,3.78,;2,3.01,;1.6,1.52,;.11,1.92,;.51,3.41,;-1.22,1.15,;-1.22,-.39,;.11,-1.16,;.11,-2.7,;-1.22,-3.47,;-2.55,-2.7,;-2.55,-1.16,;-3.89,-.39,;-3.89,1.15,;-5.22,-1.16,;-6.55,-.39,;-7.89,-1.16,;-7.89,-2.7,;-9.22,-.39,;-10.56,-1.16,;-9.22,1.15,;-10.56,.38,;1.45,-3.47,;1.61,-5,;3.12,-5.32,;3.89,-3.99,;5.39,-3.67,;5.87,-2.2,;4.84,-1.06,;3.33,-1.38,;2.85,-2.84,;7.36,-1.8,;8.84,-1.4,)|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CCN(CC1)C1COC1)-c1ccc2cc(cnn12)C#N
CC1(F)CN(C1)C(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CCC(F)(F)C1)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CCC2(COC2)C1)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CC2(COC2)C1)-c1ccc2cc(cnn12)C#N
CCOC(=O)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CN1CCN(CC1)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CNC(=O)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CN(C)C(=O)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCCC(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N
CN1CCN(CC1)C(=O)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCC(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N
CC(C)(C)OC(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCCN1CCCC1=O)-c1ccc2cc(cnn12)C#N
CC(C)(O)C(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)c1ccccc1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCC(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N
CC(C)(C)NC(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CN(C(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N)C(C)(C)C
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NCC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:6.5,wD:8.10,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N |r,wU:6.5,wD:8.10,(11.53,3.78,;10.19,3.01,;8.86,3.78,;8.86,5.32,;7.52,3.01,;6.19,3.78,;4.86,3.01,;4.46,1.52,;2.97,1.92,;3.37,3.41,;1.64,1.15,;1.64,-.39,;2.97,-1.16,;2.97,-2.7,;1.64,-3.47,;.3,-2.7,;.3,-1.16,;-1.03,-.39,;-1.03,1.15,;-2.36,-1.16,;-3.7,-.39,;-5.03,-1.16,;-6.36,-.39,;-7.7,-1.16,;-6.36,1.15,;-7.7,.38,;-9.03,-.39,;-9.03,-1.93,;-10.37,.38,;-10.37,1.92,;-11.7,2.69,;-9.03,2.69,;-10.37,3.46,;4.3,-3.47,;4.47,-5,;5.97,-5.32,;6.74,-3.99,;8.25,-3.67,;8.72,-2.2,;7.69,-1.06,;6.19,-1.38,;5.71,-2.84,;10.21,-1.8,;11.7,-1.4,)|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cccnn12 |r|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cccnn12 |r,wU:8.10,21.23,wD:6.5,(9.61,3.78,;8.28,3.01,;6.94,3.78,;6.94,5.32,;5.61,3.01,;4.28,3.78,;2.94,3.01,;1.46,3.41,;1.06,1.92,;2.55,1.52,;-.28,1.15,;-.28,-.39,;1.06,-1.16,;1.06,-2.7,;-.28,-3.47,;-1.61,-2.7,;-1.61,-1.16,;-2.94,-.39,;-2.94,1.15,;-4.28,-1.16,;-5.61,-.39,;-6.94,-1.16,;-6.94,-2.7,;-8.28,-.39,;-9.61,-1.16,;-8.28,1.15,;-9.61,.38,;2.39,-3.47,;2.55,-5,;4.06,-5.32,;4.83,-3.99,;6.33,-3.67,;6.81,-2.2,;5.78,-1.06,;4.27,-1.38,;3.8,-2.84,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NCCC(C)(C)N)-c1ccc2cc(cnn12)C#N |r,wU:6.5,wD:8.10,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncccc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2cnccc2n1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.77,;-8.37,-1,;-8.37,.54,;-9.7,-.23,;-7.03,-1.77,;-7.03,-3.31,;-5.7,-1,;-4.36,-1.77,;-3.03,-1,;-3.03,.54,;-1.7,-1.77,;-1.7,-3.31,;-.36,-4.08,;.97,-3.31,;.97,-1.77,;-.36,-1,;-.36,.54,;.97,1.31,;.97,2.85,;2.3,3.62,;3.64,2.85,;3.64,1.31,;2.3,.54,;4.97,3.62,;6.31,2.85,;7.64,3.62,;7.64,5.16,;6.31,5.93,;4.97,5.16,;2.3,-4.08,;2.47,-5.61,;3.97,-5.93,;4.74,-4.6,;6.25,-4.28,;6.72,-2.81,;5.69,-1.67,;4.19,-1.99,;3.71,-3.45,;8.21,-2.41,;9.7,-2.02,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:6.5,21.23,wD:8.10,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(C)(C)C(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:8.7,23.25,wD:10.12,(9.53,3.78,;8.19,3.01,;8.19,1.47,;9.53,2.24,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CCCC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.6,22.24,wD:9.11,(10.28,3.01,;8.95,3.78,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|
CC(C)CC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:8.7,23.25,wD:10.12,(10.28,3.01,;8.95,3.78,;8.95,5.32,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2(C)CC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:19.20,4.4,wD:17.17,(-9.72,-1.16,;-8.38,-.39,;-8.38,1.15,;-9.72,.38,;-7.05,-1.16,;-7.05,-2.7,;-5.71,-.39,;-4.38,-1.16,;-3.05,-.39,;-3.05,1.15,;-1.71,-1.16,;-1.71,-2.7,;-.38,-3.47,;.95,-2.7,;.95,-1.16,;-.38,-.39,;-.38,1.15,;.95,1.92,;2.44,1.52,;2.84,3.01,;4.17,3.78,;5.51,3.01,;6.84,3.78,;6.84,5.32,;8.18,3.01,;8.57,4.5,;8.95,1.68,;9.72,3.01,;1.35,3.41,;2.29,-3.47,;2.45,-5,;3.96,-5.32,;4.73,-3.99,;6.23,-3.67,;6.71,-2.2,;5.68,-1.06,;4.17,-1.38,;3.69,-2.84,;8.2,-1.8,;9.68,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2(F)CC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:19.20,4.4,wD:17.17,(-9.72,-1.16,;-8.38,-.39,;-8.38,1.15,;-9.72,.38,;-7.05,-1.16,;-7.05,-2.7,;-5.71,-.39,;-4.38,-1.16,;-3.05,-.39,;-3.05,1.15,;-1.71,-1.16,;-1.71,-2.7,;-.38,-3.47,;.95,-2.7,;.95,-1.16,;-.38,-.39,;-.38,1.15,;.95,1.92,;2.44,1.52,;2.84,3.01,;4.17,3.78,;5.51,3.01,;6.84,3.78,;6.84,5.32,;8.18,3.01,;8.57,4.5,;8.95,1.68,;9.72,3.01,;1.35,3.41,;2.29,-3.47,;2.45,-5,;3.96,-5.32,;4.73,-3.99,;6.23,-3.67,;6.71,-2.2,;5.68,-1.06,;4.17,-1.38,;3.69,-2.84,;8.2,-1.8,;9.68,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2(CC2)C(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:19.20,4.4,wD:17.17,(-9.89,-1.49,;-8.55,-.72,;-8.55,.82,;-9.89,.05,;-7.22,-1.49,;-7.22,-3.03,;-5.89,-.72,;-4.55,-1.49,;-3.22,-.72,;-3.22,.82,;-1.89,-1.49,;-1.89,-3.03,;-.55,-3.8,;.78,-3.03,;.78,-1.49,;-.55,-.72,;-.55,.82,;.78,1.59,;2.27,1.19,;2.67,2.68,;4,3.45,;5.33,2.68,;6.67,3.45,;6.67,4.99,;8,2.68,;8.77,1.34,;9.54,2.68,;8.4,4.17,;7.31,5.25,;9.89,4.56,;8.8,5.65,;1.18,3.08,;2.11,-3.8,;2.28,-5.33,;3.78,-5.65,;4.55,-4.32,;6.06,-4,;6.53,-2.53,;5.5,-1.39,;4,-1.71,;3.52,-3.17,;8.02,-2.14,;9.51,-1.74,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:6.5,23.28,wD:8.10,(11.63,3.78,;10.3,3.01,;8.96,3.78,;8.96,5.32,;7.63,3.01,;6.29,3.78,;4.96,3.01,;4.56,1.52,;3.07,1.92,;3.47,3.41,;1.74,1.15,;1.74,-.39,;3.07,-1.16,;3.07,-2.7,;1.74,-3.47,;.41,-2.7,;.41,-1.16,;-.93,-.39,;-.93,1.15,;-2.26,-1.16,;-3.59,-.39,;-3.59,1.15,;-4.93,1.92,;-6.26,1.15,;-6.26,-.39,;-4.93,-1.16,;-7.6,1.92,;-8.93,1.15,;-8.93,-.39,;-10.26,1.92,;-11.03,3.25,;-11.8,1.92,;4.41,-3.47,;4.57,-5,;6.08,-5.32,;6.85,-3.99,;8.35,-3.67,;8.83,-2.2,;7.8,-1.06,;6.29,-1.38,;5.81,-2.84,;10.32,-1.8,;11.8,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNS(C)(=O)=O)C1)-c1ccc2cc(cnn12)C#N |r,wU:19.20,4.4,wD:17.17,(-9.7,-1.16,;-8.37,-.39,;-8.37,1.15,;-9.7,.38,;-7.03,-1.16,;-7.03,-2.7,;-5.7,-.39,;-4.36,-1.16,;-3.03,-.39,;-3.03,1.15,;-1.7,-1.16,;-1.7,-2.7,;-.36,-3.47,;.97,-2.7,;.97,-1.16,;-.36,-.39,;-.36,1.15,;.97,1.92,;2.46,1.52,;2.86,3.01,;4.19,3.78,;5.52,3.01,;6.86,3.78,;8.19,3.01,;6.86,5.32,;6.86,2.24,;1.37,3.41,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC2(CCC(=O)N2)CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-1.82,;-8.37,-1.05,;-8.37,.49,;-9.7,-.28,;-7.03,-1.82,;-7.03,-3.36,;-5.7,-1.05,;-4.36,-1.82,;-3.03,-1.05,;-3.03,.49,;-1.7,-1.82,;-1.7,-3.36,;-.36,-4.13,;.97,-3.36,;.97,-1.82,;-.36,-1.05,;-.36,.49,;.97,1.26,;2.3,.49,;3.64,1.26,;3.64,2.8,;5.04,2.17,;6.08,3.32,;5.31,4.65,;6.08,5.98,;3.8,4.33,;2.3,3.57,;.97,2.8,;2.3,-4.13,;2.47,-5.66,;3.97,-5.98,;4.74,-4.65,;6.25,-4.33,;6.72,-2.87,;5.69,-1.72,;4.19,-2.04,;3.71,-3.51,;8.21,-2.47,;9.7,-2.07,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(CNC(=O)C3CC3(F)F)(C1)C2)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1F |r|
CCOc1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
CCOc1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
CC(C)Oc1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
CC(C)Cc1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
CCC(=O)c1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
COc1cnc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CCOc1cnc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
COc1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r|
CCCc1nccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r|
COc1nccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r|
CCOc1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r|
COc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ncn1 |r|
CCOc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccn1 |r|
CCOc1nccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc2OCCOc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Oc1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|
COc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cnc1OC |r|
CN1CCOc2cc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)ccc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc2NCCOc2c1)-c1ccc2cc(cnn12)C#N |r|
CN1CCOc2cc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncc(OCC(F)(F)F)c1)-c1ccc2cc(cnn12)C#N |r|
O=C(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnc2OCCOc2c1)-c1ccc2cc(cnn12)C#N)C1CC1 |r,wU:3.2,wD:6.9,(-8.93,-1,;-8.93,.54,;-7.6,1.31,;-6.26,.54,;-4.93,1.31,;-3.59,.54,;-3.59,-1,;-4.93,-1.77,;-6.26,-1,;-2.26,-1.77,;-.93,-1,;-.93,.54,;.41,-1.77,;.41,-3.31,;1.74,-4.08,;3.07,-3.31,;3.07,-1.77,;1.74,-1,;1.74,.54,;3.07,1.31,;4.41,.54,;5.74,1.31,;5.74,2.85,;7.08,3.62,;7.08,5.16,;5.74,5.93,;4.41,5.16,;4.41,3.62,;3.07,2.85,;4.41,-4.08,;4.57,-5.61,;6.08,-5.93,;6.85,-4.6,;8.35,-4.28,;8.83,-2.81,;7.8,-1.67,;6.29,-1.99,;5.81,-3.45,;10.32,-2.41,;11.8,-2.02,;-10.26,1.31,;-11.03,2.64,;-11.8,1.31,)|
CN1CCOc2cc(Nc3cc(ncc3C(=O)N[C@H]3CC[C@@H](CC3)NC(=O)C3CC3)-c3ccc4cc(cnn34)C#N)ccc12 |r,wU:21.25,wD:18.18,(8.41,2.85,;7.08,3.62,;7.08,5.16,;5.74,5.93,;4.41,5.16,;4.41,3.62,;3.07,2.85,;3.07,1.31,;1.74,.54,;1.74,-1,;3.07,-1.77,;3.07,-3.31,;1.74,-4.08,;.41,-3.31,;.41,-1.77,;-.93,-1,;-.93,.54,;-2.26,-1.77,;-3.59,-1,;-3.59,.54,;-4.93,1.31,;-6.26,.54,;-6.26,-1,;-4.93,-1.77,;-7.6,1.31,;-8.93,.54,;-8.93,-1,;-10.26,1.31,;-11.03,2.64,;-11.8,1.31,;4.41,-4.08,;4.57,-5.61,;6.08,-5.93,;6.85,-4.6,;8.35,-4.28,;8.83,-2.81,;7.8,-1.67,;6.29,-1.99,;5.81,-3.45,;10.32,-2.41,;11.8,-2.02,;4.41,.54,;5.74,1.31,;5.74,2.85,)|
CN1CCOc2cc(Nc3cc(ncc3C(=O)N[C@H]3CC[C@@H](CC3)NC(=O)N3CCOCC3)-c3ccc4cc(cnn34)C#N)ccc12 |r,wU:21.25,wD:18.18,(8.97,2.85,;7.64,3.62,;7.64,5.16,;6.31,5.93,;4.97,5.16,;4.97,3.62,;3.64,2.85,;3.64,1.31,;2.3,.54,;2.3,-1,;3.64,-1.77,;3.64,-3.31,;2.3,-4.08,;.97,-3.31,;.97,-1.77,;-.36,-1,;-.36,.54,;-1.7,-1.77,;-3.03,-1,;-3.03,.54,;-4.36,1.31,;-5.7,.54,;-5.7,-1,;-4.36,-1.77,;-7.03,1.31,;-8.37,.54,;-8.37,-1,;-9.7,1.31,;-9.7,2.85,;-11.03,3.62,;-12.37,2.85,;-12.37,1.31,;-11.03,.54,;4.97,-4.08,;5.13,-5.61,;6.64,-5.93,;7.41,-4.6,;8.92,-4.28,;9.39,-2.81,;8.36,-1.67,;6.85,-1.99,;6.38,-3.45,;10.88,-2.41,;12.37,-2.02,;4.97,.54,;6.31,1.31,;6.31,2.85,)|
O=C(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnc2OCCOc2c1)-c1ccc2cc(cnn12)C#N)N1CCOCC1 |r,wU:3.2,wD:6.9,(-8.37,-1,;-8.37,.54,;-7.03,1.31,;-5.7,.54,;-4.36,1.31,;-3.03,.54,;-3.03,-1,;-4.36,-1.77,;-5.7,-1,;-1.7,-1.77,;-.36,-1,;-.36,.54,;.97,-1.77,;.97,-3.31,;2.3,-4.08,;3.64,-3.31,;3.64,-1.77,;2.3,-1,;2.3,.54,;3.64,1.31,;4.97,.54,;6.31,1.31,;6.31,2.85,;7.64,3.62,;7.64,5.16,;6.31,5.93,;4.97,5.16,;4.97,3.62,;3.64,2.85,;4.97,-4.08,;5.13,-5.61,;6.64,-5.93,;7.41,-4.6,;8.92,-4.28,;9.39,-2.81,;8.36,-1.67,;6.85,-1.99,;6.38,-3.45,;10.88,-2.41,;12.37,-2.02,;-9.7,1.31,;-9.7,2.85,;-11.03,3.62,;-12.37,2.85,;-12.37,1.31,;-11.03,.54,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc2CCOCc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2CNCc2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2CN(Cc2c1)C1COC1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NC1(CC1)c1ccc(Nc2cc(ncc2C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C2CC2)-c2ccc3cc(cnn23)C#N)cc1 |r,wU:25.30,wD:22.23,(12.11,4.01,;10.77,3.24,;9.44,4.01,;9.44,5.55,;8.11,3.24,;6.77,4.01,;7.54,5.34,;6,5.34,;5.44,3.24,;5.44,1.7,;4.1,.93,;2.77,1.7,;1.44,.93,;1.44,-.61,;2.77,-1.38,;2.77,-2.92,;1.44,-3.69,;.1,-2.92,;.1,-1.38,;-1.23,-.61,;-1.23,.93,;-2.56,-1.38,;-3.9,-.61,;-3.9,.93,;-5.23,1.7,;-6.57,.93,;-6.57,-.61,;-5.23,-1.38,;-7.9,1.7,;-9.23,.93,;-9.23,-.61,;-10.57,1.7,;-11.34,3.03,;-12.11,1.7,;4.1,-3.69,;4.27,-5.23,;5.77,-5.55,;6.54,-4.21,;8.05,-3.89,;8.52,-2.43,;7.49,-1.28,;5.99,-1.6,;5.51,-3.07,;10.01,-2.03,;11.5,-1.63,;2.77,3.24,;4.1,4.01,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:6.5,21.23,wD:8.10,(8.95,3.78,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CNCC1(F)F)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CCN(CC1)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CCN(CC1)C1COC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CNCC(F)F)cc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2(C)COC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:19.20,4.4,wD:17.17,(-9.89,-1.16,;-8.55,-.39,;-8.55,1.15,;-9.89,.38,;-7.22,-1.16,;-7.22,-2.7,;-5.89,-.39,;-4.55,-1.16,;-3.22,-.39,;-3.22,1.15,;-1.89,-1.16,;-1.89,-2.7,;-.55,-3.47,;.78,-2.7,;.78,-1.16,;-.55,-.39,;-.55,1.15,;.78,1.92,;2.27,1.52,;2.67,3.01,;4,3.78,;5.33,3.01,;6.67,3.78,;6.67,5.32,;8,3.01,;8.4,4.5,;8.4,1.52,;9.89,1.92,;9.49,3.41,;1.18,3.41,;2.11,-3.47,;2.28,-5,;3.78,-5.32,;4.55,-3.99,;6.06,-3.67,;6.53,-2.2,;5.5,-1.06,;4,-1.38,;3.52,-2.84,;8.02,-1.8,;9.51,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(C)(C)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(C)(C)N1CCCC1=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C1(CC1)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CCCC1)-c1ccc2cc(cnn12)C#N |r|
CC(=O)NCC1CCCN1c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
COC(=O)NCC1CCCN1c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(=O)NC1CCN(CC1)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
COC(=O)NC1CCN(CC1)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CNC[C@H]1F)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CNC[C@@H]1F)-c1ccc2cc(cnn12)C#N |r|
COCC1CCCN1c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
COCC1CCN(C1)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(=O)NCC1CN(CCO1)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
COC(=O)NCC1CN(CCO1)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
COC(=O)Nc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(=O)N1CC[C@H]1CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CC[C@H]1CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC[C@@H]1CCN1CC(F)(F)F)-c1ccc2cc(cnn12)C#N |r|
CC(=O)N1CC[C@@H]1CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CC[C@@H]1CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC[C@H]1CCN1CC(F)(F)F)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(CNC2)C1)-c1ccc2cc(cnn12)C#N |r|
O=C(NCC#N)c1cnc(cc1Nc1cnn(c1)[C@H]1CCNC1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CC2(CC(C2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(C1)CN(CC(F)(F)F)C2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CCNC1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CC[C@H](CNc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC[C@H]1CCN(CC(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(C1)CCNC2)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-.93,;-8.37,-.16,;-8.37,1.38,;-9.7,.61,;-7.03,-.93,;-7.03,-2.47,;-5.7,-.16,;-4.36,-.93,;-3.03,-.16,;-3.03,1.38,;-1.7,-.93,;-1.7,-2.47,;-.36,-3.24,;.97,-2.47,;.97,-.93,;-.36,-.16,;-.36,1.38,;.97,2.15,;2.46,1.75,;2.86,3.24,;1.37,3.64,;4.26,2.61,;5.29,3.76,;4.52,5.09,;3.02,4.77,;2.3,-3.24,;2.47,-4.77,;3.97,-5.09,;4.74,-3.76,;6.25,-3.44,;6.72,-1.97,;5.69,-.83,;4.19,-1.15,;3.71,-2.61,;8.21,-1.57,;9.7,-1.18,)|
COC(=O)N1CCC2(CC(C2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)C1 |r,wU:22.24,(7.5,4.6,;6.41,5.69,;4.92,5.29,;3.83,6.38,;4.52,3.8,;5.29,2.47,;4.26,1.32,;2.86,1.95,;2.46,.46,;.97,.86,;1.37,2.35,;-.36,.09,;-.36,-1.45,;.97,-2.22,;.97,-3.76,;-.36,-4.53,;-1.7,-3.76,;-1.7,-2.22,;-3.03,-1.45,;-3.03,.09,;-4.36,-2.22,;-5.7,-1.45,;-7.03,-2.22,;-7.03,-3.76,;-8.37,-1.45,;-9.7,-2.22,;-8.37,.09,;-9.7,-.68,;2.3,-4.53,;2.47,-6.06,;3.97,-6.38,;4.74,-5.05,;6.25,-4.73,;6.72,-3.26,;5.69,-2.12,;4.19,-2.44,;3.71,-3.9,;8.21,-2.86,;9.7,-2.46,;3.02,3.48,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(C1)CCN(CC(F)(F)F)C2)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-2.62,;-8.37,-1.85,;-8.37,-.31,;-9.7,-1.08,;-7.03,-2.62,;-7.03,-4.16,;-5.7,-1.85,;-4.36,-2.62,;-3.03,-1.85,;-3.03,-.31,;-1.7,-2.62,;-1.7,-4.16,;-.36,-4.93,;.97,-4.16,;.97,-2.62,;-.36,-1.85,;-.36,-.31,;.97,.46,;2.46,.07,;2.86,1.55,;1.37,1.95,;4.26,.93,;5.29,2.07,;4.52,3.4,;4.92,4.89,;6.41,5.29,;7.5,4.2,;6.81,6.78,;7.9,5.69,;3.02,3.08,;2.3,-4.93,;2.47,-6.46,;3.97,-6.78,;4.74,-5.44,;6.25,-5.12,;6.72,-3.66,;5.69,-2.52,;4.19,-2.84,;3.71,-4.3,;8.21,-3.26,;9.7,-2.86,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CNC1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CC(CNc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)C1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CN(CC(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C[C@]2(CCN2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,wD:19.23,(-9.7,-.75,;-8.37,.02,;-8.37,1.56,;-9.7,.79,;-7.03,-.75,;-7.03,-2.29,;-5.7,.02,;-4.36,-.75,;-3.03,.02,;-3.03,1.56,;-1.7,-.75,;-1.7,-2.29,;-.36,-3.06,;.97,-2.29,;.97,-.75,;-.36,.02,;-.36,1.56,;.97,2.33,;2.46,1.93,;2.86,3.42,;3.26,4.91,;4.74,4.51,;4.34,3.02,;1.37,3.82,;2.3,-3.06,;2.47,-4.59,;3.97,-4.91,;4.74,-3.58,;6.25,-3.26,;6.72,-1.79,;5.69,-.65,;4.19,-.97,;3.71,-2.43,;8.21,-1.39,;9.7,-.99,)|
COC(=O)N1CC[C@]11CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.25,wD:7.7,(7.42,3.02,;6.65,1.69,;5.11,1.69,;4.34,.36,;4.34,3.02,;4.74,4.51,;3.26,4.91,;2.86,3.42,;2.46,1.93,;.97,2.33,;1.37,3.82,;-.36,1.56,;-.36,.02,;.97,-.75,;.97,-2.29,;-.36,-3.06,;-1.7,-2.29,;-1.7,-.75,;-3.03,.02,;-3.03,1.56,;-4.36,-.75,;-5.7,.02,;-7.03,-.75,;-7.03,-2.29,;-8.37,.02,;-9.7,-.75,;-8.37,1.56,;-9.7,.79,;2.3,-3.06,;2.47,-4.59,;3.97,-4.91,;4.74,-3.58,;6.25,-3.26,;6.72,-1.79,;5.69,-.65,;4.19,-.97,;3.71,-2.43,;8.21,-1.39,;9.7,-.99,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C[C@]2(CCN2CC(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,wD:19.23,(-9.7,-.75,;-8.37,.02,;-8.37,1.56,;-9.7,.79,;-7.03,-.75,;-7.03,-2.29,;-5.7,.02,;-4.36,-.75,;-3.03,.02,;-3.03,1.56,;-1.7,-.75,;-1.7,-2.29,;-.36,-3.06,;.97,-2.29,;.97,-.75,;-.36,.02,;-.36,1.56,;.97,2.33,;2.46,1.93,;2.86,3.42,;3.26,4.91,;4.74,4.51,;4.34,3.02,;5.11,1.69,;6.65,1.69,;7.42,3.02,;7.42,.36,;8.19,1.69,;1.37,3.82,;2.3,-3.06,;2.47,-4.59,;3.97,-4.91,;4.74,-3.58,;6.25,-3.26,;6.72,-1.79,;5.69,-.65,;4.19,-.97,;3.71,-2.43,;8.21,-1.39,;9.7,-.99,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C[C@]2(CCN2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.23,(-9.7,-.75,;-8.37,.02,;-8.37,1.56,;-9.7,.79,;-7.03,-.75,;-7.03,-2.29,;-5.7,.02,;-4.36,-.75,;-3.03,.02,;-3.03,1.56,;-1.7,-.75,;-1.7,-2.29,;-.36,-3.06,;.97,-2.29,;.97,-.75,;-.36,.02,;-.36,1.56,;.97,2.33,;1.37,3.82,;2.86,3.42,;3.26,4.91,;4.74,4.51,;4.34,3.02,;2.46,1.93,;2.3,-3.06,;2.47,-4.59,;3.97,-4.91,;4.74,-3.58,;6.25,-3.26,;6.72,-1.79,;5.69,-.65,;4.19,-.97,;3.71,-2.43,;8.21,-1.39,;9.7,-.99,)|
COC(=O)N1CC[C@]11CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.25,7.7,(7.42,3.02,;6.65,1.69,;5.11,1.69,;4.34,.36,;4.34,3.02,;4.74,4.51,;3.26,4.91,;2.86,3.42,;1.37,3.82,;.97,2.33,;2.46,1.93,;-.36,1.56,;-.36,.02,;.97,-.75,;.97,-2.29,;-.36,-3.06,;-1.7,-2.29,;-1.7,-.75,;-3.03,.02,;-3.03,1.56,;-4.36,-.75,;-5.7,.02,;-7.03,-.75,;-7.03,-2.29,;-8.37,.02,;-9.7,-.75,;-8.37,1.56,;-9.7,.79,;2.3,-3.06,;2.47,-4.59,;3.97,-4.91,;4.74,-3.58,;6.25,-3.26,;6.72,-1.79,;5.69,-.65,;4.19,-.97,;3.71,-2.43,;8.21,-1.39,;9.7,-.99,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C[C@]2(CCN2CC(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.23,(-9.7,-.75,;-8.37,.02,;-8.37,1.56,;-9.7,.79,;-7.03,-.75,;-7.03,-2.29,;-5.7,.02,;-4.36,-.75,;-3.03,.02,;-3.03,1.56,;-1.7,-.75,;-1.7,-2.29,;-.36,-3.06,;.97,-2.29,;.97,-.75,;-.36,.02,;-.36,1.56,;.97,2.33,;1.37,3.82,;2.86,3.42,;3.26,4.91,;4.74,4.51,;4.34,3.02,;5.11,1.69,;6.65,1.69,;7.42,3.02,;7.42,.36,;8.19,1.69,;2.46,1.93,;2.3,-3.06,;2.47,-4.59,;3.97,-4.91,;4.74,-3.58,;6.25,-3.26,;6.72,-1.79,;5.69,-.65,;4.19,-.97,;3.71,-2.43,;8.21,-1.39,;9.7,-.99,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)[C@H]1CNC[C@H]1F)-c1ccc2cc(cnn12)C#N |r|
COCC1CCN1c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC[C@H]1COCCN1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC[C@@H]1COCCN1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CCOC[C@H]1CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CCOC[C@@H]1CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)N1CC2CC(C1)O2)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)N1CCNCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CC2CC(C1)O2)-c1ccc2cc(cnn12)C#N |r|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CCC1)-c1ccc2cc(cnn12)C#N
CC1(C)CC1CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
Cn1cncc1CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
Cn1cc(CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)cn1
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C[C@H](CNC(=O)C2CCC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,(-9.89,-1.16,;-8.55,-.39,;-8.55,1.15,;-9.89,.38,;-7.22,-1.16,;-7.22,-2.7,;-5.89,-.39,;-4.55,-1.16,;-3.22,-.39,;-3.22,1.15,;-1.89,-1.16,;-1.89,-2.7,;-.55,-3.47,;.78,-2.7,;.78,-1.16,;-.55,-.39,;-.55,1.15,;.78,1.92,;2.27,1.52,;2.67,3.01,;4,3.78,;5.33,3.01,;6.67,3.78,;6.67,5.32,;8,3.01,;8.4,1.52,;9.89,1.92,;9.49,3.41,;1.18,3.41,;2.11,-3.47,;2.28,-5,;3.78,-5.32,;4.55,-3.99,;6.06,-3.67,;6.53,-2.2,;5.5,-1.06,;4,-1.38,;3.52,-2.84,;8.02,-1.8,;9.51,-1.4,)|
Cn1ccnc1CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
Cn1cnc(CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)c1
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCc1ccccn1)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCc1cccnc1)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCc1ccncc1)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCc1ncccn1)-c1ccc2cc(cnn12)C#N
Cn1nccc1CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
Cn1ccc(CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)n1
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1-n1cc(cn1)-c1cnc(N)cn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C23CC(C2)C3)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.89,-1.16,;-8.55,-.39,;-8.55,1.15,;-9.89,.38,;-7.22,-1.16,;-7.22,-2.7,;-5.89,-.39,;-4.55,-1.16,;-3.22,-.39,;-3.22,1.15,;-1.89,-1.16,;-1.89,-2.7,;-.55,-3.47,;.78,-2.7,;.78,-1.16,;-.55,-.39,;-.55,1.15,;.78,1.92,;2.27,1.52,;2.67,3.01,;4,3.78,;5.33,3.01,;6.67,3.78,;6.67,5.32,;8,3.01,;8.4,1.52,;9.89,1.92,;9.49,3.41,;9.24,2.82,;1.18,3.41,;2.11,-3.47,;2.28,-5,;3.78,-5.32,;4.55,-3.99,;6.06,-3.67,;6.53,-2.2,;5.5,-1.06,;4,-1.38,;3.52,-2.84,;8.02,-1.8,;9.51,-1.4,)|
CC(C)C(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,7.6,wD:9.11,(9.52,3.78,;8.19,3.01,;8.19,1.48,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1-n1cc(cn1)-c1ccc(N)cn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2CC(F)(F)C2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-10.56,-1.16,;-9.22,-.39,;-9.22,1.15,;-10.56,.38,;-7.89,-1.16,;-7.89,-2.7,;-6.55,-.39,;-5.22,-1.16,;-3.89,-.39,;-3.89,1.15,;-2.55,-1.16,;-2.55,-2.7,;-1.22,-3.47,;.11,-2.7,;.11,-1.16,;-1.22,-.39,;-1.22,1.15,;.11,1.92,;1.6,1.52,;2,3.01,;3.33,3.78,;4.67,3.01,;6,3.78,;6,5.32,;7.34,3.01,;7.73,1.52,;9.22,1.92,;10.56,2.69,;10.56,1.15,;8.82,3.41,;.51,3.41,;1.45,-3.47,;1.61,-5,;3.12,-5.32,;3.89,-3.99,;5.39,-3.67,;5.87,-2.2,;4.84,-1.06,;3.33,-1.38,;2.85,-2.84,;7.36,-1.8,;8.84,-1.4,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2CC2F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-10.38,-1.16,;-9.05,-.39,;-9.05,1.15,;-10.38,.38,;-7.71,-1.16,;-7.71,-2.7,;-6.38,-.39,;-5.05,-1.16,;-3.71,-.39,;-3.71,1.15,;-2.38,-1.16,;-2.38,-2.7,;-1.05,-3.47,;.29,-2.7,;.29,-1.16,;-1.05,-.39,;-1.05,1.15,;.29,1.92,;1.78,1.52,;2.17,3.01,;3.51,3.78,;4.84,3.01,;6.17,3.78,;6.17,5.32,;7.51,3.01,;8.28,1.68,;9.05,3.01,;10.38,3.78,;.69,3.41,;1.62,-3.47,;1.78,-5,;3.29,-5.32,;4.06,-3.99,;5.56,-3.67,;6.04,-2.2,;5.01,-1.06,;3.5,-1.38,;3.03,-2.84,;7.53,-1.8,;9.02,-1.4,)|
C[C@H](NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N)C(=O)N1CC(F)(F)C1 |r|
C[C@H](NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N)C(=O)N1CCOCC1 |r|
OC1CCN(C1)C(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CNC(=O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
CN(C)C(=O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r|
CN1CCN(CC1)C(=O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
COC(=O)C1(CC1)NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CC1(CC1)NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC1(CC1)C(F)F)-c1ccc2cc(cnn12)C#N
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NCC(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r,wU:6.5,wD:8.10,(10.55,3.78,;9.21,3.01,;7.88,3.78,;7.88,5.32,;6.54,3.01,;5.21,3.78,;3.88,3.01,;3.48,1.52,;1.99,1.92,;2.39,3.41,;.66,1.15,;.66,-.39,;1.99,-1.16,;1.99,-2.7,;.66,-3.47,;-.68,-2.7,;-.68,-1.16,;-2.01,-.39,;-2.01,1.15,;-3.34,-1.16,;-4.68,-.39,;-6.01,-1.16,;-6.01,-2.7,;-7.35,-.39,;-7.74,1.1,;-9.23,.7,;-10.72,.3,;-9.63,2.19,;-8.83,-.79,;3.32,-3.47,;3.49,-5,;4.99,-5.32,;5.76,-3.99,;7.27,-3.67,;7.74,-2.2,;6.71,-1.06,;5.21,-1.38,;4.73,-2.84,;9.23,-1.8,;10.72,-1.4,)|
O[C@@H]1CCN(C1)C(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|
CC1(O)CN(C1)C(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)N[C@H]1CNC1=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cn1)-c1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)N[C@H]1CCCNC1=O)-c1ccc2cc(cnn12)C#N |r|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)N[C@@H]1CCCNC1=O)-c1ccc2cc(cnn12)C#N |r|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)N[C@@H]1CCNC1=O)-c1ccc2cc(cnn12)C#N |r|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)N[C@H]1CCNC1=O)-c1ccc2cc(cnn12)C#N |r|
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(F)(F)C(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N
CN(C)C(=O)C(F)(F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C(N)=O
NC(=O)c1cnn2c(ccc2c1)-c1cc(NC23CCC(O)(CC2)CC3)c(cn1)C(=O)NCC(F)(F)C(=O)N1CC(F)(F)C1
OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC1(CF)CC1)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(Cl)nc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)-c1ccc2cc(cnn12)C#N)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)-c1cnoc1)-c1ccc2cc(cnn12)C#N |r|
Cc1nc(no1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)-c1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(Cl)cn1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(Cl)nc1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(cn1)-c1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2nncn2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2nccn2c1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn2nccc2c1)-c1ccc2cc(cnn12)C#N |r|
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCOCC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCNCC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC(F)(F)F)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(C)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC1)C(=O)CO
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC1)C1CCN(C)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC1)S(=O)(=O)NC(C)=O
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCN(C)C)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC1)C1COC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCS(=O)(=O)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCS(=O)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCO)CC1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1OCC1CC1)C1CCS(=O)(=O)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@@H]1C[C@@H]2C[C@H]1CN2C |r|
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1C[C@@H]2C[C@H]1CN2C |r|
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCS(=N)(=O)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1CCS(=N)(=O)CC1 |r|
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CNC(=O)C1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)F)C1CCOCC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)N1CCOCC1)C1CCOCC1
COc1cc2nn(cc2cc1NC(=O)c1csc(C)n1)C1CCOCC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(N)n1)C1CCOCC1
COc1cc2nn(cc2cc1NC(=O)c1ccnc(n1)C(C)C)C1CCOCC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(C)(C)O)C1CCOCC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCOC1
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1Cl)C1CCOCC1
FC(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1Cl)C1CCOCC1
CC(C)(O)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1Cl)C1CCS(=O)(=O)CC1
COC(=O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCOCC1
CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCOCC1
CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1CCOC1 |r|
CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@@H]1CCOC1 |r|
CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 |r|
CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCS(=O)(=O)CC1
CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCNCC1
COc1cc2nn(cc2cc1NC(=O)c1nc(cs1)C(F)(F)F)C1CCOCC1
COc1cc2nn(cc2cc1NC(=O)c1nc(no1)-c1ccncc1)C1CCOCC1
COc1cc2nn(cc2cc1NC(=O)c1nc(C)no1)C1CCOCC1
FC(F)(F)c1csc(n1)C(=O)Nc1cc2cn(nc2cc1Cl)C1CCOCC1
COc1cc2nn(cc2cc1NC(=O)c1ccn(n1)C(F)F)C1CCOCC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCC(C)(C)O)CC1
NC(=O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCNCC1
OC(=O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCNCC1
COC(=O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(C)CC1
CC(C)(O)CCN1CCC(CC1)n1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(N)=O
CN1CCC(CC1)n1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(N)=O
COCCN1CCC(CC1)n1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OC)cc2n1
OC1CNC(=O)c2nn(cc2NC(=O)c2cccc(Cn3nc(OC1)ccc3=O)n2)C1CCOCC1
CC(C)Nc1cc(Nc2ccc(cn2)C#N)ncc1C(=O)NC1CCN(CC1)NC(C)=O
CC(C)Nc1cc(Nc2ccc(cn2)C#N)ncc1C(=O)NC1CCC(O)(CC1)c1ccnn1C |w:25.31,(3.87,5.29,;2.53,6.06,;2.53,7.6,;1.2,5.29,;1.2,3.75,;2.53,2.98,;2.53,1.44,;3.87,.67,;5.2,1.44,;5.2,2.98,;6.54,3.75,;7.92,3.01,;7.87,1.44,;6.54,.67,;9.25,3.78,;10.59,4.55,;1.2,.67,;-.13,1.44,;-.13,2.98,;-1.47,3.75,;-1.47,5.29,;-2.8,2.98,;-4.13,3.75,;-5.47,2.98,;-6.8,3.75,;-6.8,5.29,;-6.8,6.83,;-5.47,6.06,;-4.13,5.29,;-8.13,6.06,;-8.61,7.53,;-10.15,7.53,;-10.63,6.06,;-9.38,5.16,;-9.38,3.62,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cc(N)c(cn2)C#N)cc1NC1CC1 |r|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC1CCC(O)(CC1)c1ccnn1C |w:26.32,(3.85,.92,;2.52,1.69,;2.12,3.17,;1.18,.92,;1.18,-.62,;2.52,-1.39,;2.52,-2.93,;3.85,-3.7,;5.19,-2.93,;6.52,-3.7,;7.85,-2.93,;7.9,-1.37,;6.52,-.62,;5.19,-1.39,;3.85,-.62,;9.24,-.6,;10.57,.17,;1.18,-3.7,;-.15,-2.93,;-.15,-1.39,;-1.48,-.62,;-1.48,.92,;-2.82,-1.39,;-4.15,-.62,;-4.15,.92,;-5.48,1.69,;-6.82,.92,;-6.82,2.46,;-6.82,-.62,;-5.48,-1.39,;-8.15,1.69,;-8.15,3.23,;-9.62,3.7,;-10.52,2.46,;-9.62,1.21,;-10.01,-.28,)|
CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC1CCC(O)(CC1)c1nccs1 |w:26.32,(3.85,.92,;2.52,1.69,;2.12,3.17,;1.18,.92,;1.18,-.62,;2.52,-1.39,;2.52,-2.93,;3.85,-3.7,;5.19,-2.93,;6.52,-3.7,;7.85,-2.93,;7.9,-1.37,;6.52,-.62,;5.19,-1.39,;3.85,-.62,;9.24,-.6,;10.57,.17,;1.18,-3.7,;-.15,-2.93,;-.15,-1.39,;-1.48,-.62,;-1.48,.92,;-2.82,-1.39,;-4.15,-.62,;-4.15,.92,;-5.48,1.69,;-6.82,.92,;-6.82,2.46,;-6.82,-.62,;-5.48,-1.39,;-8.15,1.69,;-8.15,3.23,;-9.62,3.7,;-10.52,2.46,;-9.62,1.21,)|
CNCc1cccc(n1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
Cc1cccc(n1)-c1ncc2ccc(cn12)B1OC(C)(C)C(C)(C)O1
CN[C@H](C)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1 |r|
CCc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)C(C)N
C\C(=N/S(=O)C(C)(C)C)c1cccc(Br)n1
C[C@@H](N)c1cccc(n1)-c1ccc2cn(nc2c1)-c1cccc(CO)n1 |r|
CCC[C@@H](N)c1cccc(n1)-c1ccc2cn(nc2c1)-c1cccc(CO)n1 |r|
Cc1cccc(n1)-n1ncc2ccnc(N)c12
CCC(N)c1cccc(n1)-c1ccc2cnc(-c3cccc(C)n3)n2c1
CCCC(N)c1cccc(n1)-c1ccc2cnc(-c3cccc(C)n3)n2c1
CCC[C@H](N)c1cccc(n1)-c1cc(N2CCCCC2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-n2cccn2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1cc(-c2ccnn2C)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CC[C@H](N)c1cccc(n1)-c1cc(-c2cc(C)n(C)n2)c2cnn(-c3cccc(CO)n3)c2c1 |r|
N[C@@H](CCCO)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@@H](N)c1nccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1nccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cncc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@@H](N)c1cncc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1ccnc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)[C@H](C)O)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)[C@@H](C)O)c2c1 |r|
CCC[C@@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)[C@H](C)O)c2c1 |r|
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)C(C)F |r|
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)c1ccccc1 |r|
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@H](N)c1ccccc1 |r|
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)[C@@H](F)CC |r|
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)[C@H](F)CC |r|
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)[C@H](CC)OC |r|
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)[C@@H](O)C(F)(F)F)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)[C@H](O)C(F)(F)F)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CC[C@H](N)c1cccc(n1)-c1cc(F)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)-c1cc(OCCOC)c2cnn(-c3cccc(CO)n3)c2c1 |r|
CCC[C@H](N)c1cccc(n1)C1CC2C(C=NN2c2cncc(CO)n2)C(C1)OC |r,c:16|
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1ccnc(N)c1
CC(=O)Nc1cncc(c1)-c1ccc2cnn(-c3cccc(C)n3)c2c1
NCc1cc(cc2n(ncc12)-c1cccc(n1)C(F)(F)F)-c1cncc(NC(=O)C(F)(F)F)c1
C[C@@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)[C@H](C)O)c2c1 |r|
COCCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)C(N)(CO)CCl
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1nccc(N)n1
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1nccc(N)c1C
Cc1cccc(n1)-n1ncc2ccc(cc12)-c1cc(N)cnc1O
C[C@@H](N)c1ccnc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
C[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(O)=O)c2c1 |r|
FC(F)(F)C(=O)Nc1cncc(c1)-c1cc(C#N)c2cnn(-c3cccc(n3)C(F)(F)F)c2c1
CN(C(=O)OC(C)(C)C)c1cc(cc2n(ncc12)-c1cccc(C)n1)-c1cccc(n1)C(\C)=N/O
Cc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |r,wU:12.12,wD:9.8,(12.89,3.26,;11.36,3.09,;10.33,4.24,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.26,-1.01,;6.26,-2.55,;7.59,-3.32,;8.92,-2.55,;10.26,-3.32,;8.92,-1.01,;7.59,-.24,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;1.65,.13,;2.55,-1.11,;1.65,-2.36,;.19,-1.88,;-1.06,-2.79,;.19,-.34,;9.09,2.08,;10.59,1.76,)|
CC(C)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
Cc1cc(Nc2nc(NCCO)c3n(ccc3n2)-c2cnn(C)c2)sn1
CCCCNc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
Cc1cc(Nc2nc(NCCCCO)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(NCCC(=O)NO)c3n(ccc3n2)-c2cnn(C)c2)sn1
CNC(=O)CCCNc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
CC(=O)NCCNc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
CC(=O)NCCCNc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
Cc1cc(Nc2nc(NCCN3CCOCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(NCCCN3CCCCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(NC3CCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(NC3CC(O)C3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |(12.89,3.26,;11.36,3.09,;10.33,4.24,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.26,-1.01,;6.58,-2.51,;8.12,-2.51,;9.31,-3.48,;7.8,-1.01,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;1.65,.13,;2.55,-1.11,;1.65,-2.36,;.19,-1.88,;-1.06,-2.79,;.19,-.34,;9.09,2.08,;10.59,1.76,)|
Cc1cc(Nc2nc(N[C@H]3C[C@@](C)(O)C3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |r,wU:9.8,11.12,wD:11.11,(12.89,3.26,;11.36,3.09,;10.33,4.24,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.26,-1.01,;7.8,-1.01,;8.12,-2.51,;9.43,-1.71,;9.31,-3.48,;6.58,-2.51,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;1.65,.13,;2.55,-1.11,;1.65,-2.36,;.19,-1.88,;-1.06,-2.79,;.19,-.34,;9.09,2.08,;10.59,1.76,)|
Cc1cc(Nc2nc(N[C@H]3C[C@H](C3)C3CCCCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |r,wU:9.8,11.13,(12.89,3.26,;11.36,3.09,;10.33,4.24,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.26,-1.01,;7.8,-1.01,;8.12,-2.51,;6.58,-2.51,;9.31,-3.48,;8.99,-4.99,;10.14,-6.02,;11.6,-5.54,;11.92,-4.04,;10.78,-3.01,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;1.65,.13,;2.55,-1.11,;1.65,-2.36,;.19,-1.88,;-1.06,-2.79,;.19,-.34,;9.09,2.08,;10.59,1.76,)|
Cc1cc(Nc2nc(N[C@H]3C[C@@H](C3)C3CCCCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |r,wU:9.8,wD:11.13,(12.89,3.26,;11.36,3.09,;10.33,4.24,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.26,-1.01,;7.8,-1.01,;8.12,-2.51,;6.58,-2.51,;9.31,-3.48,;8.99,-4.99,;10.14,-6.02,;11.6,-5.54,;11.92,-4.04,;10.78,-3.01,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;1.65,.13,;2.55,-1.11,;1.65,-2.36,;.19,-1.88,;-1.06,-2.79,;.19,-.34,;9.09,2.08,;10.59,1.76,)|
Cc1cc(Nc2nc(NC3CCCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
C[C@@H]1CC[C@@H](C1)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12 |r|
Cc1cc(Nc2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c3n(ccc3n2)-c2cnn(C)c2)sn1 |r|
Cc1cc(Nc2nc(N[C@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |r|
Cc1cc(Nc2nc(N[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |r|
Cc1cc(Nc2nc(NC3CCCCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(NC3CCC(=O)CC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(N[C@H]3CC[C@](C)(O)CC3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |r,wU:9.8,12.12,wD:12.13,(12.89,3.26,;11.36,3.09,;10.33,4.24,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.26,-1.01,;7.59,-.24,;8.93,-1.01,;8.92,-2.55,;9.09,-4.08,;10.26,-3.32,;7.59,-3.32,;6.26,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;1.65,.13,;2.55,-1.11,;1.65,-2.36,;.19,-1.88,;-1.06,-2.79,;.19,-.34,;9.09,2.08,;10.59,1.76,)|
CO[C@@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12 |r,wU:5.8,2.1,(10.26,-4.86,;10.26,-3.32,;8.92,-2.55,;8.93,-1.01,;7.59,-.24,;6.26,-1.01,;6.26,-2.55,;7.59,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;8.92,3.61,;10.33,4.24,;11.36,3.09,;12.89,3.26,;10.59,1.76,;9.09,2.08,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;1.65,.13,;2.55,-1.11,;1.65,-2.36,;.19,-1.88,;-1.06,-2.79,;.19,-.34,;3.59,2.07,)|
CO[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12 |r,wU:5.8,wD:2.1,(10.26,-4.86,;10.26,-3.32,;8.92,-2.55,;8.93,-1.01,;7.59,-.24,;6.26,-1.01,;6.26,-2.55,;7.59,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;8.92,3.61,;10.33,4.24,;11.36,3.09,;12.89,3.26,;10.59,1.76,;9.09,2.08,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;1.65,.13,;2.55,-1.11,;1.65,-2.36,;.19,-1.88,;-1.06,-2.79,;.19,-.34,;3.59,2.07,)|
CC(=C)N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12 |r,wU:7.10,wD:4.3,(8.92,-5.63,;10.26,-4.86,;11.59,-5.63,;10.26,-3.32,;8.92,-2.55,;8.93,-1.01,;7.59,-.24,;6.26,-1.01,;6.26,-2.55,;7.59,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;8.92,3.61,;10.33,4.24,;11.36,3.09,;12.89,3.26,;10.59,1.76,;9.09,2.08,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;1.65,.13,;2.55,-1.11,;1.65,-2.36,;.19,-1.88,;-1.06,-2.79,;.19,-.34,;3.59,2.07,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@H](N)CC3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |r,wU:9.8,wD:12.12,(12.89,3.26,;11.36,3.09,;10.33,4.24,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.26,-1.01,;7.59,-.24,;8.93,-1.01,;8.92,-2.55,;10.26,-3.32,;7.59,-3.32,;6.26,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;1.65,.13,;2.55,-1.11,;1.65,-2.36,;.19,-1.88,;-1.06,-2.79,;.19,-.34,;9.09,2.08,;10.59,1.76,)|
Cc1cc(Nc2nc(NC3CCOCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
CN1CCC(CC1)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
Cc1cc(Nc2nc(Nc3ccc(cc3)C(N)=O)c3n(ccc3n2)-c2cnn(C)c2)sn1
CC(=C)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(c3)C3CCOCC3)c12
C[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3ccccc3)c12 |r,wU:4.7,wD:1.0,(10.26,-3.32,;8.92,-2.55,;8.93,-1.01,;7.59,-.24,;6.26,-1.01,;6.26,-2.55,;7.59,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;8.92,3.61,;10.33,4.24,;11.36,3.09,;12.89,3.26,;10.59,1.76,;9.09,2.08,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;1.65,.13,;.14,-.19,;-.33,-1.65,;.7,-2.8,;2.2,-2.48,;2.68,-1.01,;3.59,2.07,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3n(ccc3n2)-c2ccc(F)cc2)sn1 |r,wU:9.8,wD:12.12,(12.89,3.26,;11.36,3.09,;10.33,4.24,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.26,-1.01,;7.59,-.24,;8.93,-1.01,;8.92,-2.55,;10.26,-3.32,;7.59,-3.32,;6.26,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;1.65,.13,;.14,-.19,;-.33,-1.65,;.7,-2.8,;.22,-4.26,;2.2,-2.48,;2.68,-1.01,;9.09,2.08,;10.59,1.76,)|
CC(C)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3cccc(c3)C(O)=C)c12
CC(C)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3cccc(c3)S(C)(=O)=O)c12
CC(C)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3cccnc3)c12
Cc1cc(Nc2nc(NC3CC[C@H](O)CC3)c3n(ccc3n2)-c2cccnc2)sn1 |r,wD:12.12,(12.89,3.26,;11.36,3.09,;10.33,4.24,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.26,-1.01,;7.59,-.24,;8.93,-1.01,;8.92,-2.55,;10.26,-3.32,;7.59,-3.32,;6.26,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;1.65,.13,;.14,-.19,;-.33,-1.65,;.7,-2.8,;2.2,-2.48,;2.68,-1.01,;9.09,2.08,;10.59,1.76,)|
CC(C)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3ccc(N)nc3)c12
Cc1cc(Nc2nc(NC3CCOCC3)c3n(ccc3n2)-c2ccccc2)sn1
CC(C)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3ccnc(O)c3)c12
COc1cc(ccn1)-n1ccc2nc(Nc3cc(C)ns3)nc(NC(C)C)c12
CC(C)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3ccc4OCOc4c3)c12
CC(C)Nc1nc(Nc2cc(C)ns2)nc2ccn(-c3cccc4n(C)ncc34)c12
CC(C)Nc1nc(Nc2cnn(c2)C2CCCCC2)nc2ccn(-c3cnn(C)c3)c12
C[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)[nH]n2)nc2ccn(-c3cnn(C)c3)c12 |r,wU:4.7,wD:1.0,(10.26,-3.32,;8.92,-2.55,;8.93,-1.01,;7.59,-.24,;6.26,-1.01,;6.26,-2.55,;7.59,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;8.92,3.61,;10.33,4.24,;11.36,3.09,;12.89,3.26,;10.59,1.76,;9.09,2.08,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;1.65,.13,;2.55,-1.11,;1.65,-2.36,;.18,-1.88,;-1.06,-2.79,;.18,-.34,;3.59,2.07,)|
CC(C)Nc1nc(Nc2cc(C)[nH]n2)nc2ccn(-c3cnn(c3)C3CCOCC3)c12
CNC(=O)c1csc(Nc2nc(N(C)C3CCOCC3)c3n(ccc3n2)-c2cnn(C)c2)c1
CCNC(=O)c1csc(Nc2nc(NC3CCOCC3)c3n(ccc3n2)-c2cnn(C)c2)c1
CN(C)C(=O)c1csc(Nc2nc(NC3CCOCC3)c3n(ccc3n2)-c2cnn(C)c2)c1
CNC(=O)c1csc(Nc2nc(NC3CCOCC3)c3n(ccc3n2)-c2cnn(C)c2)c1
CN(C1CCOCC1)c1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
CC(C)Oc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
CCCCOc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
COCC(C)Oc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
Cc1cc(Nc2nc(OCCCO)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(OCC3CCNC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(OCc3ccccn3)c3n(ccc3n2)-c2cnn(C)c2)sn1
CCC(C)Oc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
Cc1cc(Nc2nc(OC3COC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(OC3CC(C3)N3CCCCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |(9.3,1.18,;7.77,1.02,;6.74,2.17,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4.21,-4.62,;4.21,-3.08,;5.3,-5.71,;4.82,-7.17,;5.85,-8.32,;7.36,-8,;7.83,-6.53,;6.8,-5.39,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;-1.94,-1.94,;-1.04,-3.19,;-1.94,-4.43,;-3.41,-3.96,;-4.65,-4.86,;-3.41,-2.42,;5.5,.01,;7,-.31,)|
Cc1cc(Nc2nc(OC3CCCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |r|
Cc1cc(Nc2nc(O[C@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |r|
Cc1cc(Nc2nc(OC3CCCCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(OC3CCC(O)CC3)c3n(ccc3n2)-c2cnn(C)c2)sn1 |(9.3,1.18,;7.77,1.02,;6.74,2.17,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;5.33,-4.62,;6.67,-5.39,;5.33,-3.08,;4,-2.31,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;-1.94,-1.94,;-1.04,-3.19,;-1.94,-4.43,;-3.41,-3.96,;-4.65,-4.86,;-3.41,-2.42,;5.5,.01,;7,-.31,)|
COC1CCC(CC1)Oc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12 |(6.67,-6.93,;6.67,-5.39,;5.33,-4.62,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;4,2.31,;5.33,1.54,;6.74,2.17,;7.77,1.02,;9.3,1.18,;7,-.31,;5.5,.01,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-1.04,-3.19,;-1.94,-4.43,;-3.41,-3.96,;-4.65,-4.86,;-3.41,-2.42,;)|
Cc1cc(Nc2nc(OC3CCCNC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
CC(=C)N1CCCC(C1)Oc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
Cc1cc(Nc2nc(OC3CCNCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
CN1CCC(CC1)Oc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
CC(=C)N1CCC(CC1)Oc1nc(Nc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12
Cc1cc(Nc2nc(OC3CCSCC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cc1cc(Nc2nc(OC3CCS(=O)(=O)CC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
Cn1cc(cn1)-n1ccc2nc(Nc3cc[nH]c3)nc(O[C@H]3CCOC3)c12 |r|
Cn1cc(cn1)-n1ccc2nc(Nc3ccsc3)nc(O[C@H]3CCOC3)c12 |r|
Cn1cc(cn1)-n1ccc2nc(Nc3csc(c3)C#N)nc(O[C@H]3CCOC3)c12 |r|
Cn1cc(cn1)-n1ccc2nc(Nc3ccc(s3)C#N)nc(O[C@H]3CCOC3)c12 |r|
Cc1cc(Nc2nc(O[C@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)cs1 |r|
Cc1cc(Nc2nc(O[C@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)on1 |r|
Cn1cc(cn1)-n1ccc2nc(Nc3cc[nH]n3)nc(O[C@H]3CCOC3)c12 |r|
Cn1cc(cn1)-n1ccc2nc(Nc3csc4ccccc34)nc(O[C@H]3CCOC3)c12 |r|
Cc1cc(Nc2nc(OC3CCCCC3)c3n(ccc3n2)-c2ccn(C)c2)sn1
Cc1cc(Nc2nc(OC3CCCC3)c3n(ccc3n2)-c2ccoc2)sn1
Cc1cc(Nc2nc(OC3CCOCC3)c3n(ccc3n2)-c2ccoc2)sn1
Cc1cc(Nc2nc(OC3CCOCC3)c3n(ccc3n2)-c2ccsc2)sn1
CCn1cc(cn1)-n1ccc2nc(Nc3cc(C)ns3)nc(OC3CCOCC3)c12
COCCn1cc(cn1)-n1ccc2nc(Nc3cc(C)ns3)nc(OC3CCOCC3)c12
Cc1cc(Nc2nc(OC3CCOCC3)c3n(ccc3n2)-c2ccccc2)sn1
COc1ccccc1-n1ccc2nc(Nc3cc(C)ns3)nc(OC3CCOCC3)c12
COc1cccc(c1)-n1ccc2nc(Nc3cc(C)ns3)nc(OC3CCOCC3)c12
COc1ccc(cc1)-n1ccc2nc(Nc3cc(C)ns3)nc(OC3CCOCC3)c12
CN(C)c1ccc(cc1)-n1ccc2nc(Nc3cc(C)ns3)nc(OC3CCOCC3)c12
Cc1cc(Nc2nc(OC3CCOCC3)c3n(ccc3n2)-c2ccncc2)sn1
COc1cncc(c1)-n1ccc2nc(Nc3cc(C)ns3)nc(OC3CCOCC3)c12
Cc1cc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2ccncc2)sn1 |r|
COc1cc(ccn1)-n1ccc2nc(Nc3cc(C)ns3)nc(OC3CCOCC3)c12
Cc1cc(Nc2nc(OC3CCOCC3)c3n(ccc3n2)-c2ccnnc2)sn1
Cc1cc(Nc2nc(OC3CCOCC3)c3n(ccc3n2)-c2cncnc2)sn1
Cc1cc(Nc2nc(OC3CCOCC3)c3n(ccc3n2)-c2cccc3OCCOc23)sn1
Cn1cc(Nc2nc(O[C@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)cn1
Cn1cc(cn1)-n1ccc2nc(Nc3cn[nH]c3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cnn(CCF)c3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cnn(CCO)c3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cnn(c3)C3CCCCC3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cnn(c3)C3CCOCC3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cnn(c3)C3CCNCC3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cnn(c3)-c3ccccc3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cnn(c3)-c3cccnc3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cnoc3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3ccccc3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3ccc(cc3)N3CCCCC3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3ccc(cc3)C(=O)N3CCOCC3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3ccc4C(=O)NCc4c3)nc(O[C@H]3CCOC3)c12
CN1Cc2cc(Nc3nc(O[C@H]4CCOC4)c4n(ccc4n3)-c3cnn(C)c3)ccc2C1=O
Cn1cc(cn1)-n1ccc2nc(Nc3ccc4CN=Cc4c3)nc(O[C@H]3CCOC3)c12 |c:19|
Cn1cc(cn1)-n1ccc2nc(Nc3ccc4cn[nH]c4c3)nc(O[C@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3ccc4ncsc4c3)nc(O[C@H]3CCOC3)c12
CNC(=O)c1csc(Nc2nc(O[C@H]3CCOC3)c3n(ccc3n2)-c2ccoc2)c1 |r|
CCNC(=O)c1csc(Nc2nc(OC3CCCC3)c3n(ccc3n2)-c2cnn(C)c2)c1
CNC(=O)c1csc(Nc2nc(OC3CCCCC3)c3n(ccc3n2)-c2cnn(C)c2)c1
CCNC(=O)c1csc(Nc2nc(OCCOC)c3n(ccc3n2)-c2cnn(C)c2)c1
CCNC(=O)c1csc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)c1 |r|
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(N)=O)nc(O[C@H]3CCOC3)c12 |r|
CNC(=O)c1csc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)c1
CCNC(=O)c1csc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)c1
CCCNC(=O)c1csc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)c1
CC(C)NC(=O)c1csc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)c1
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)NCCF)nc(O[C@@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)NCC(F)(F)F)nc(O[C@@H]3CCOC3)c12
COCCNC(=O)c1csc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)c1
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)NCC3CCOCC3)nc(O[C@@H]3CCOC3)c12
CN1CCC(CNC(=O)c2csc(Nc3nc(O[C@@H]4CCOC4)c4n(ccc4n3)-c3cnn(C)c3)c2)CC1
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)NCc3cccs3)nc(O[C@@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)NC3CC3)nc(O[C@@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)NC3CCCCC3)nc(O[C@@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)NC3CCNCC3)nc(O[C@@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)NC3CCOC3)nc(O[C@@H]3CCOC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)NC3CCOCC3)nc(O[C@@H]3CCOC3)c12
CN(C)C(=O)c1csc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)c1
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)N3CCCCC3)nc(O[C@@H]3CCOC3)c12
CN1CCN(CC1)C(=O)c1csc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)c1
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)N3CCS(=O)(=O)CC3)nc(O[C@@H]3CCOC3)c12
CNC(=O)c1cc(Nc2nc(OCCOC)c3n(ccc3n2)-c2cnn(C)c2)cs1
CCNC(=O)c1cc(Nc2nc(OCCOC)c3n(ccc3n2)-c2cnn(C)c2)cs1
CNC(=O)c1cc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)cs1 |r|
CCNC(=O)c1cc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)cs1 |r|
CNC(=O)c1cc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)cs1
CCNC(=O)c1cc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)cs1
Cn1cc(cn1)-n1ccc2nc(Nc3csc(c3)C(=O)NCCF)nc(O[C@@H]3CCOC3)c12
CN1CCC(CC1)NC(=O)c1cc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)cs1
CN(C)C(=O)c1cc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)cs1
CNC(=O)c1ccc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)s1
CNC(=O)c1nc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)cs1
CNC(=O)c1cc(Nc2nc(O[C@@H]3CCOC3)c3n(ccc3n2)-c2cnn(C)c2)sn1
CNC(=O)c1cc(Nc2nc(OC3CCOCC3)c3n(ccc3n2)-c2cnn(C)c2)cs1
CCNC(=O)c1cc(Nc2nc(OC3CCOCC3)c3n(ccc3n2)-c2cnn(C)c2)cs1
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)NCCF)nc(OC3CCOCC3)c12
Cn1cc(cn1)-n1ccc2nc(Nc3cc(cs3)C(=O)NCC(F)F)nc(OC3CCOCC3)c12
CN(C)C(=O)c1csc(Nc2nc(OC3CCOCC3)c3n(ccc3n2)-c2cnn(C)c2)c1
CN(C)C(=O)c1cc(Nc2nc(OC3CCOCC3)c3n(ccc3n2)-c2cnn(C)c2)cs1
Cn1cc(cn1)-n1ccc2nc(Nc3cc4C(=O)NCCn4c3)nc(OC3CCOCC3)c12
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ncc(s1)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCCOC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCCOC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCOCC1)-c1cnn2cc(Cl)cnc12
CC(C)(CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(O)(CO)CO)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)Nc1cnn(CC(=O)NC[C@@H](F)C(C)(C)O)c1)-c1cnn2cc(Cl)cnc12 |r|
CO[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-c1cnn2cc(Cl)cnc12 |r,wU:5.8,wD:2.1,(-9.62,2.08,;-8.29,2.85,;-6.95,2.08,;-6.95,.54,;-5.62,-.23,;-4.29,.54,;-4.29,2.08,;-5.62,2.85,;-2.95,-.23,;-1.62,.54,;-1.62,2.08,;-.29,-.23,;-.29,-1.77,;1.05,-2.54,;2.38,-1.77,;2.38,-.23,;1.05,.54,;1.05,2.08,;2.38,2.85,;2.38,4.39,;3.71,2.08,;3.71,-2.54,;3.88,-4.07,;5.38,-4.39,;6.15,-3.06,;7.66,-2.74,;8.13,-1.27,;9.62,-.87,;7.1,-.13,;5.6,-.45,;5.12,-1.91,)|
CC(C)(F)CCNC(=O)c1cnc(cc1NC1COC1)-c1cnn2cc(Cl)cnc12
COC1CC(CC1(F)F)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)OC1CC(CC1(F)F)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
FC1(CCNC(=O)c2cnc(cc2NC2COC2)-c2cnn3cc(Cl)cnc23)CCOCC1
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COCC1(F)F)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)F)-c1cnn2cc(Cl)cnc12
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cccnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-c1cnn2cc(Cl)cnc12 |r,wU:13.13,wD:16.20,(4.33,2.16,;2.99,2.93,;2.99,4.47,;1.66,2.16,;1.66,.62,;2.99,-.15,;2.99,-1.69,;1.66,-2.46,;.33,-1.69,;.33,-.15,;-1.01,.62,;-1.01,2.16,;-2.34,-.15,;-3.67,.62,;-5.01,-.15,;-6.34,.62,;-6.34,2.16,;-5.01,2.93,;-3.67,2.16,;-7.68,2.93,;-9.01,2.16,;-10.34,2.93,;-9.01,.62,;4.33,-2.46,;4.33,-4,;5.79,-4.47,;6.7,-3.23,;8.23,-3.07,;8.86,-1.66,;10.34,-1.26,;7.95,-.41,;6.42,-.57,;5.79,-1.98,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NCC(C)(C)F)-c1cnn2cc(Cl)cnc12 |r,wU:4.3,wD:7.10,(-10.34,2.27,;-9.01,1.5,;-7.68,2.27,;-7.68,3.81,;-6.34,1.5,;-5.01,2.27,;-3.67,1.5,;-3.67,-.04,;-5.01,-.81,;-6.34,-.04,;-2.34,-.81,;-1.01,-.04,;-1.01,1.5,;.33,-.81,;.33,-2.35,;1.66,-3.12,;2.99,-2.35,;2.99,-.81,;1.66,-.04,;1.66,1.5,;2.99,2.27,;2.99,3.81,;4.33,4.58,;1.45,3.81,;2.22,5.14,;4.33,-3.12,;4.33,-4.66,;5.79,-5.14,;6.7,-3.89,;8.23,-3.73,;8.86,-2.33,;10.34,-1.93,;7.95,-1.08,;6.42,-1.24,;5.79,-2.65,)|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-c1cnn2cc(Cl)cnc12 |r,wU:4.3,wD:7.10,(-10.34,2.93,;-9.01,2.16,;-7.68,2.93,;-7.68,4.47,;-6.34,2.16,;-5.01,2.93,;-3.67,2.16,;-3.67,.62,;-5.01,-.15,;-6.34,.62,;-2.34,-.15,;-1.01,.62,;-1.01,2.16,;.33,-.15,;.33,-1.69,;1.66,-2.46,;2.99,-1.69,;2.99,-.15,;1.66,.62,;1.66,2.16,;2.99,2.93,;4.53,2.93,;3.76,4.27,;4.33,-2.46,;4.33,-4,;5.79,-4.47,;6.7,-3.23,;8.23,-3.07,;8.86,-1.66,;10.34,-1.26,;7.95,-.41,;6.42,-.57,;5.79,-1.98,)|
CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O)-c1cnn2cc(Cl)cnc12
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-c1cnn2cc(Cl)cnc12 |r,wU:7.10,wD:4.3,(-10.34,2.93,;-9.01,2.16,;-7.68,2.93,;-7.68,4.47,;-6.34,2.16,;-6.34,.62,;-5.01,-.15,;-3.67,.62,;-3.67,2.16,;-5.01,2.93,;-2.34,-.15,;-1.01,.62,;-1.01,2.16,;.33,-.15,;.33,-1.69,;1.66,-2.46,;2.99,-1.69,;2.99,-.15,;1.66,.62,;1.66,2.16,;2.99,2.93,;2.99,4.47,;4.33,2.16,;4.33,-2.46,;4.33,-4,;5.79,-4.47,;6.7,-3.23,;8.23,-3.07,;8.86,-1.66,;10.34,-1.26,;7.95,-.41,;6.42,-.57,;5.79,-1.98,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1CC1)-c1cnn2cc(Cl)cnc12 |r,wU:13.13,wD:16.20,(3.76,4.47,;3.76,2.93,;5.1,2.16,;2.43,2.16,;2.43,.62,;3.76,-.15,;3.76,-1.69,;2.43,-2.46,;1.1,-1.69,;1.1,-.15,;-.24,.62,;-.24,2.16,;-1.57,-.15,;-2.9,.62,;-4.24,-.15,;-5.57,.62,;-5.57,2.16,;-4.24,2.93,;-2.9,2.16,;-6.91,2.93,;-6.91,4.47,;-8.24,2.16,;-9.57,2.93,;-10.34,4.27,;-11.11,2.93,;5.1,-2.46,;5.1,-4,;6.56,-4.47,;7.47,-3.23,;9,-3.07,;9.63,-1.66,;11.11,-1.26,;8.72,-.41,;7.19,-.57,;6.56,-1.98,)|
CC(C)NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-c1cnn2cc(Cl)cnc12 |r,wU:9.12,wD:6.5,(-11.01,2.16,;-9.68,2.93,;-9.68,4.47,;-8.34,2.16,;-7.01,2.93,;-7.01,4.47,;-5.68,2.16,;-5.68,.62,;-4.34,-.15,;-3.01,.62,;-3.01,2.16,;-4.34,2.93,;-1.67,-.15,;-.34,.62,;-.34,2.16,;.99,-.15,;.99,-1.69,;2.33,-2.46,;3.66,-1.69,;3.66,-.15,;2.33,.62,;2.33,2.16,;3.66,2.93,;3.66,4.47,;4.99,2.16,;4.99,-2.46,;4.99,-4,;6.46,-4.47,;7.36,-3.23,;8.9,-3.07,;9.52,-1.66,;11.01,-1.26,;8.62,-.41,;7.09,-.57,;6.46,-1.98,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1cnn2cc(Cl)cnc12 |r|
C[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(N)=O)-c1cnn2cc(Cl)cnc12 |r|
CNC(=O)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(C#N)c1F)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncc(F)cn1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NCC(F)C1(O)COC1)-c1cnn2cc(Cl)cnc12
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(C)COC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(O)COC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-c1cnn2cc(Cl)cnc12 |r,wU:7.10,wD:4.3,(-9.11,1.63,;-8.34,2.96,;-7.57,4.29,;-9.68,3.73,;-7.01,2.19,;-7.01,.65,;-5.68,-.12,;-4.34,.65,;-4.34,2.19,;-5.68,2.96,;-3.01,-.12,;-1.67,.65,;-1.67,2.19,;-.34,-.12,;-.34,-1.66,;.99,-2.43,;2.33,-1.66,;2.33,-.12,;.99,.65,;.99,2.19,;2.33,2.96,;3.81,2.56,;4.21,4.05,;2.73,4.45,;3.66,-2.43,;3.66,-3.97,;5.13,-4.45,;6.03,-3.2,;7.56,-3.04,;8.19,-1.63,;9.68,-1.23,;7.28,-.39,;5.75,-.55,;5.13,-1.95,)|
Clc1cnc2c(cnn2c1)-c1cc(NC2COC2)c(cn1)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1CC1 |r,wU:24.27,wD:27.34,(11.11,-1.26,;9.63,-1.66,;8.72,-.41,;7.19,-.57,;6.56,-1.98,;5.1,-2.46,;5.1,-4,;6.56,-4.47,;7.47,-3.23,;9,-3.07,;3.76,-1.69,;3.76,-.15,;2.43,.62,;2.43,2.16,;3.76,2.93,;5.25,2.53,;5.65,4.02,;4.16,4.42,;1.1,-.15,;1.1,-1.69,;2.43,-2.46,;-.24,.62,;-.24,2.16,;-1.57,-.15,;-2.9,.62,;-4.24,-.15,;-5.57,.62,;-5.57,2.16,;-4.24,2.93,;-2.9,2.16,;-6.91,2.93,;-6.91,4.47,;-8.24,2.16,;-9.57,2.93,;-10.34,4.27,;-11.11,2.93,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1COC[C@H]1O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1COC[C@H]1F)-c1cnn2cc(Cl)cnc12 |r|
CNC(=O)Cn1cc(NC(=O)c2cnc(cc2NC(C)C)-c2cnn3cc(Cl)cnc23)cn1
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(F)(F)F)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)CCNC(=O)c1cnc(cc1NC1COC1)-c1cnn2cc(Cl)cnc12
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1COC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C)O)-c1cnn2cc(Cl)cnc12 |r,wU:13.13,wD:16.20,22.25,(4.99,2.16,;3.66,2.93,;3.66,4.47,;2.33,2.16,;2.33,.62,;3.66,-.15,;3.66,-1.69,;2.33,-2.46,;.99,-1.69,;.99,-.15,;-.34,.62,;-.34,2.16,;-1.67,-.15,;-3.01,.62,;-4.34,-.15,;-5.68,.62,;-5.68,2.16,;-4.34,2.93,;-3.01,2.16,;-7.01,2.93,;-8.34,2.16,;-8.34,.62,;-9.68,2.93,;-11.01,2.16,;-9.68,4.47,;4.99,-2.46,;4.99,-4,;6.46,-4.47,;7.36,-3.23,;8.9,-3.07,;9.52,-1.66,;11.01,-1.26,;8.62,-.41,;7.09,-.57,;6.46,-1.98,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](C1)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(O)CCC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCOCC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCC(C)(O)CC1)-c1cnn2cc(Cl)cnc12 |(4.33,2.16,;2.99,2.93,;2.99,4.47,;1.66,2.16,;1.66,.62,;2.99,-.15,;2.99,-1.69,;1.66,-2.46,;.33,-1.69,;.33,-.15,;-1.01,.62,;-1.01,2.16,;-2.34,-.15,;-3.67,.62,;-5.01,-.15,;-6.34,.62,;-5.01,1.39,;-6.34,2.16,;-7.68,2.93,;-9.01,2.16,;-10.34,1.39,;-10.34,2.93,;-9.01,.62,;-7.68,-.15,;4.33,-2.46,;4.33,-4,;5.79,-4.47,;6.7,-3.23,;8.23,-3.07,;8.86,-1.66,;10.34,-1.26,;7.95,-.41,;6.42,-.57,;5.79,-1.98,)|
CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H](C1)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r,wU:4.4,19.22,wD:17.17,(-6.91,1.03,;-7.68,-.31,;-8.45,1.03,;-9.01,-1.08,;-6.34,-1.08,;-6.34,-2.62,;-5.01,-.31,;-3.67,-1.08,;-2.34,-.31,;-2.34,1.23,;-1.01,-1.08,;-1.01,-2.62,;.33,-3.39,;1.66,-2.62,;1.66,-1.08,;.33,-.31,;.33,1.23,;1.66,2,;3.15,1.6,;3.55,3.09,;2.06,3.49,;4.88,3.86,;6.21,4.63,;6.21,3.09,;4.88,5.4,;2.99,-3.39,;2.99,-4.93,;4.46,-5.4,;5.36,-4.16,;6.9,-4,;7.52,-2.59,;9.01,-2.19,;6.62,-1.34,;5.08,-1.5,;4.46,-2.91,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-c1cnn2cc(Cl)cnc12 |r|
C[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NCCC(=O)N1CCOCC1)-c1cnn2cc(Cl)cnc12
CC(C)Nc1cc(ncc1C(=O)NCC(=O)N1CCC2(CCO2)CC1)-c1cnn2cc(Cl)cnc12
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)(F)F)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(F)(F)C1)-c1cnn2cc(Cl)cnc12 |r|
CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)S(C)(=O)=O)-c1cnn2cc(Cl)cnc12 |r|
CC[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC[C@@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)S(=O)(=O)C(C)C)-c1cnn2cc(Cl)cnc12
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)C2)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CC[C@@H](CO)OC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r,wU:13.13,wD:16.20,(4.99,2.16,;3.66,2.93,;3.66,4.47,;2.33,2.16,;2.33,.62,;3.66,-.15,;3.66,-1.69,;2.33,-2.46,;.99,-1.69,;.99,-.15,;-.34,.62,;-.34,2.16,;-1.67,-.15,;-3.01,.62,;-4.34,-.15,;-5.68,.62,;-5.68,2.16,;-4.34,2.93,;-3.01,2.16,;-7.01,2.93,;-8.34,2.16,;-8.34,.62,;-9.68,2.93,;-11.01,2.16,;-9.68,4.47,;-11.01,3.7,;4.99,-2.46,;4.99,-4,;6.46,-4.47,;7.36,-3.23,;8.9,-3.07,;9.52,-1.66,;11.01,-1.26,;8.62,-.41,;7.09,-.57,;6.46,-1.98,)|
COC1CCC(O)(CCNC(=O)c2cnc(cc2NC2COC2)-c2cnn3cc(Cl)cnc23)CC1 |(-11.01,2.19,;-9.68,2.96,;-8.34,2.19,;-7.01,2.96,;-5.68,2.19,;-5.68,.65,;-4.34,1.42,;-4.34,-.12,;-3.01,.65,;-1.67,-.12,;-.34,.65,;-.34,2.19,;.99,-.12,;.99,-1.66,;2.33,-2.43,;3.66,-1.66,;3.66,-.12,;2.33,.65,;2.33,2.19,;3.66,2.96,;5.15,2.56,;5.55,4.05,;4.06,4.45,;4.99,-2.43,;4.99,-3.97,;6.46,-4.45,;7.36,-3.2,;8.9,-3.04,;9.52,-1.63,;11.01,-1.23,;8.62,-.39,;7.09,-.55,;6.46,-1.95,;-7.01,-.12,;-8.34,.65,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-c1cnn2cc(Cl)cnc12 |r|
CC[C@H](O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(O)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-c1cnn2cc(cnc12)C#N |r,wU:4.3,wD:7.10,(-10.42,.62,;-10.42,2.16,;-9.09,2.93,;-9.09,4.47,;-7.75,2.16,;-6.42,2.93,;-5.09,2.16,;-5.09,.62,;-6.42,-.15,;-7.75,.62,;-3.75,-.15,;-2.42,.62,;-2.42,2.16,;-1.08,-.15,;-1.08,-1.69,;.25,-2.46,;1.58,-1.69,;1.58,-.15,;.25,.62,;.25,2.16,;1.58,2.93,;2.92,2.16,;1.58,4.47,;2.92,-2.46,;2.92,-4,;4.38,-4.47,;5.29,-3.23,;6.82,-3.07,;7.44,-1.66,;6.54,-.41,;5.01,-.57,;4.38,-1.98,;8.98,-1.5,;10.51,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-c1cnn2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(3.58,2.16,;2.25,2.93,;2.25,4.47,;.92,2.16,;.92,.62,;2.25,-.15,;2.25,-1.69,;.92,-2.46,;-.42,-1.69,;-.42,-.15,;-1.75,.62,;-1.75,2.16,;-3.08,-.15,;-4.42,.62,;-5.75,-.15,;-7.09,.62,;-7.09,2.16,;-5.75,2.93,;-4.42,2.16,;-8.42,2.93,;-9.75,2.16,;-9.75,.62,;-11.09,2.93,;3.58,-2.46,;3.58,-4,;5.05,-4.47,;5.95,-3.23,;7.49,-3.07,;8.11,-1.66,;7.21,-.41,;5.67,-.57,;5.05,-1.98,;9.64,-1.5,;11.17,-1.34,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1cnn2cc(cnc12)C#N |r|
CC(C)(F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-c1cnn2cc(cnc12)C#N |r|
CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCOC1)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-c1cnn2cc(cnc12)C#N |r|
CC[C@@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r|
C[C@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-c1cnn2cc(cnc12)C#N |r|
C[C@H](Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H](CO)Cc1ccccc1)-c1cnn2cc(cnc12)C#N |r|
CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NCC(C)(C)F)-c1cnn2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.09,2.16,;-9.75,1.39,;-8.42,2.16,;-8.42,3.7,;-7.09,1.39,;-7.09,-.15,;-5.75,-.92,;-4.42,-.15,;-4.42,1.39,;-5.75,2.16,;-3.08,-.92,;-1.75,-.15,;-1.75,1.39,;-.42,-.92,;-.42,-2.46,;.92,-3.23,;2.25,-2.46,;2.25,-.92,;.92,-.15,;.92,1.39,;2.25,2.16,;2.25,3.7,;.92,4.47,;2.25,5.24,;3.58,4.47,;3.58,-3.23,;3.58,-4.77,;5.05,-5.24,;5.95,-4,;7.49,-3.84,;8.11,-2.43,;7.21,-1.18,;5.67,-1.34,;5.05,-2.75,;9.64,-2.27,;11.17,-2.11,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC1O)-c1cnn2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.37,4.45,;1.97,2.96,;3.46,2.56,;.63,2.19,;.63,.65,;1.97,-.12,;1.97,-1.66,;.63,-2.43,;-.7,-1.66,;-.7,-.12,;-2.03,.65,;-2.03,2.19,;-3.37,-.12,;-4.85,.28,;-5.94,-.81,;-7.43,-.41,;-7.83,1.08,;-6.74,2.16,;-5.25,1.77,;-9.32,1.47,;-9.32,3.01,;-10.8,1.87,;-10.41,.38,;3.3,-2.43,;3.3,-3.97,;4.77,-4.45,;5.67,-3.2,;7.2,-3.04,;7.83,-1.63,;6.92,-.39,;5.39,-.55,;4.77,-1.95,;9.36,-1.47,;10.89,-1.31,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCC[C@@H]1F)-c1cnn2cc(cnc12)C#N |r|
CC(CCF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)(F)C1O)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCCN(C1)C(=O)CC(F)(F)F)C1=C2N=CC(C=C2N=N1)C#N |r,c:32,34,37,40|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncc(F)cn1)-c1cnn2cc(cnc12)C#N |r|
CNC(=O)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)cc1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C(N)=O)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(N)=O)-c1cnn2cc(cnc12)C#N |r|
CC(Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N)c1cccnc1 |r|
CC(C)(CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r|
COc1cnc(nc1)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1COC[C@@H]1F)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncccn1)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1cncnc1)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-c1cnn2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-9.86,4.29,;-9.09,2.96,;-7.75,3.73,;-10.42,2.19,;-7.75,2.19,;-7.75,.65,;-6.42,-.12,;-5.09,.65,;-5.09,2.19,;-6.42,2.96,;-3.75,-.12,;-2.42,.65,;-2.42,2.19,;-1.08,-.12,;-1.08,-1.66,;.25,-2.43,;1.58,-1.66,;1.58,-.12,;.25,.65,;.25,2.19,;1.58,2.96,;3.07,2.56,;3.47,4.05,;1.98,4.45,;2.92,-2.43,;2.92,-3.97,;4.38,-4.45,;5.29,-3.2,;6.82,-3.04,;7.44,-1.63,;6.54,-.39,;5.01,-.55,;4.38,-1.95,;8.98,-1.47,;10.51,-1.31,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(O)COC1)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(O)CCCOC1)-c1cnn2cc(cnc12)C#N |r|
CO[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-c1cnn2cc(cnc12)C#N |r,wU:5.8,wD:2.1,(-10.42,2.19,;-9.09,2.96,;-7.75,2.19,;-7.75,.65,;-6.42,-.12,;-5.09,.65,;-5.09,2.19,;-6.42,2.96,;-3.75,-.12,;-2.42,.65,;-2.42,2.19,;-1.08,-.12,;-1.08,-1.66,;.25,-2.43,;1.58,-1.66,;1.58,-.12,;.25,.65,;.25,2.19,;1.58,2.96,;3.07,2.56,;3.47,4.05,;1.98,4.45,;2.92,-2.43,;2.92,-3.97,;4.38,-4.45,;5.29,-3.2,;6.82,-3.04,;7.44,-1.63,;6.54,-.39,;5.01,-.55,;4.38,-1.95,;8.98,-1.47,;10.51,-1.31,)|
CC[C@H](O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1cnn2cccnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C1CC1 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(F)c(N)nc12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(F)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-c1cnc2cccnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1cnc2cccnn12 |r|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-c1cnc2cccnn12 |r,wU:7.10,wD:4.3,(-7.6,4.47,;-7.6,2.93,;-8.93,3.7,;-8.93,2.16,;-6.26,2.16,;-6.26,.62,;-4.93,-.15,;-3.6,.62,;-3.6,2.16,;-4.93,2.93,;-2.26,-.15,;-.93,.62,;-.93,2.16,;.4,-.15,;.4,-1.69,;1.74,-2.46,;3.07,-1.69,;3.07,-.15,;1.74,.62,;1.74,2.16,;3.07,2.93,;4.56,2.53,;4.96,4.02,;3.47,4.42,;4.4,-2.46,;4.4,-4,;5.87,-4.47,;6.77,-3.23,;8.31,-3.07,;8.93,-1.66,;8.03,-.41,;6.5,-.57,;5.87,-1.98,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COCC1O)-c1cnc2cccnn12 |r|
C[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cccnn12 |r|
C[C@@H](CO)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-c1cnc2cccnn12 |r|
CC(C)(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cccnn12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2ccc(NCCO)nn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-c1cnc2ccc(NCCO)nn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-c1cnc2cc(Cl)cnn12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-c1cnc2cc(Cl)cnn12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-c1cnc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(C)cnn12 |r|
COc1ccc2ncc(-c3cc(NC(C)C)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)n2n1 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2ccc(N)nn12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2ccc(NCC(C)(C)O)nn12 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2ccc(nn12)N1CC[C@@H](O)C1 |r|
COc1cnn2c(cnc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
COc1cnn2c(cnc2c1)-c1cc(NC2COC2)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc(o1)-c1cccc(c1)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccn(n1)-c1ccncc1 |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)OC(F)F)-c1cnn2cc(Cl)cnc12 |r|
CC[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(F)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)F)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCCO)-c1cnn2cc(Cl)cnc12 |r|
CO[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r,wU:5.8,19.21,wD:2.1,(6.99,4.09,;5.66,4.86,;4.33,4.09,;2.99,4.86,;1.66,4.09,;1.66,2.55,;2.99,1.78,;4.33,2.55,;.33,1.78,;.33,.24,;1.66,-.53,;1.66,-2.07,;.33,-2.84,;-1.01,-2.07,;-1.01,-.53,;-2.34,.24,;-2.34,1.78,;-3.67,-.53,;-5.01,.24,;-6.34,-.53,;-6.34,-2.07,;-7.68,.24,;-8.45,1.57,;-6.91,1.57,;-9.01,-.53,;2.99,-2.84,;2.99,-4.38,;4.46,-4.86,;5.36,-3.61,;6.9,-3.45,;7.52,-2.04,;9.01,-1.65,;6.62,-.8,;5.08,-.96,;4.46,-2.37,)|
CCO[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-c1cnn2cc(Cl)cnc12 |r,wU:3.2,wD:6.9,(-10.34,2.93,;-9.01,2.16,;-7.68,2.93,;-6.34,2.16,;-5.01,2.93,;-3.67,2.16,;-3.67,.62,;-5.01,-.15,;-6.34,.62,;-2.34,-.15,;-1.01,.62,;-1.01,2.16,;.33,-.15,;.33,-1.69,;1.66,-2.46,;2.99,-1.69,;2.99,-.15,;1.66,.62,;1.66,2.16,;2.99,2.93,;4.33,2.16,;2.99,4.47,;4.33,-2.46,;4.33,-4,;5.79,-4.47,;6.7,-3.23,;8.23,-3.07,;8.86,-1.66,;10.34,-1.26,;7.95,-.41,;6.42,-.57,;5.79,-1.98,)|
CC(C)Nc1cc(ncc1C(=O)NCC[C@@H](C)NC(C)=O)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Nc1cc(ncc1C(=O)NCCCS(C)(=O)=O)-c1cnn2cc(Cl)cnc12
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)C#N)-c1cnn2cc(cnc12)C#N
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)OC(F)F)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)F)-c1cnn2cc(cnc12)C#N |r|
CC(F)(F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NCC(F)(F)C(C)(C)O)-c1cnc2cc(cnn12)C#N
COC(C)(C)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-c1cnc2cc(cnn12)C#N |r,wU:8.11,wD:5.4,(-11.23,4.02,;-9.74,3.62,;-8.41,2.85,;-8.41,4.39,;-9.74,2.08,;-7.07,2.08,;-7.07,.54,;-5.74,-.23,;-4.4,.54,;-4.4,2.08,;-5.74,2.85,;-3.07,-.23,;-1.74,.54,;-1.74,2.08,;-.4,-.23,;-.4,-1.77,;.93,-2.54,;2.26,-1.77,;2.26,-.23,;.93,.54,;.93,2.08,;2.26,2.85,;3.6,2.08,;2.26,4.39,;3.6,-2.54,;3.76,-4.07,;5.26,-4.39,;6.03,-3.06,;7.54,-2.74,;8.02,-1.27,;6.99,-.13,;5.48,-.45,;5,-1.91,;9.52,-.95,;11.03,-.63,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(C)(C)F)-c1cnc2cc(Cl)cnn12 |r,wU:4.4,17.17,wD:20.24,(-8.4,.72,;-7.63,-.61,;-6.86,.72,;-8.96,-1.38,;-6.3,-1.38,;-6.3,-2.92,;-4.96,-.61,;-3.63,-1.38,;-2.3,-.61,;-2.3,.93,;-.96,-1.38,;-.96,-2.92,;.37,-3.69,;1.71,-2.92,;1.71,-1.38,;.37,-.61,;.37,.93,;1.71,1.7,;1.71,3.24,;3.04,4.01,;4.37,3.24,;4.37,1.7,;3.04,.93,;5.71,4.01,;5.71,5.55,;7.04,3.24,;7.19,4.4,;3.04,-3.69,;3.2,-5.23,;4.71,-5.55,;5.48,-4.21,;6.98,-3.89,;7.46,-2.43,;8.96,-2.11,;6.43,-1.28,;4.92,-1.6,;4.45,-3.07,)|
CC(C)Nc1cc(ncc1C(=O)NCC(F)C1CC(C)OC(C)C1)-c1cnc2cc(cnn12)C#N
CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(Cl)cnn12 |r|
CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-c1cnc2cc(Cl)cnn12 |r|
C[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-c1cnc2cc(cnn12)C#N |r|
Cc1cnn2c(cnc2c1)-c1cc(NC2CC2)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
Cc1cnn2c(cnc2c1)-c1cc(NC2CCC2)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-c1cnc2cc(cnn12)C#N
CC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(cnn12)C#N |r|
CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(cnn12)C#N |r|
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(F)(F)F)-c1cnc2cc(Cl)cnn12 |r|
COC(C)(C)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-c1cnc2cc(Cl)cnn12 |r,wU:8.11,wD:5.4,(-10.44,4.1,;-8.95,3.7,;-7.62,2.93,;-7.62,4.47,;-8.95,2.16,;-6.29,2.16,;-6.29,.62,;-4.95,-.15,;-3.62,.62,;-3.62,2.16,;-4.95,2.93,;-2.29,-.15,;-.95,.62,;-.95,2.16,;.38,-.15,;.38,-1.69,;1.72,-2.46,;3.05,-1.69,;3.05,-.15,;1.72,.62,;1.72,2.16,;3.05,2.93,;4.54,2.53,;4.93,4.02,;3.45,4.42,;4.38,-2.46,;4.38,-4,;5.85,-4.47,;6.75,-3.23,;8.28,-3.07,;8.91,-1.66,;10.44,-1.5,;8.01,-.41,;6.47,-.57,;5.85,-1.98,)|
CC(C)(C)CCNC(=O)c1cnc(cc1NC1COC1)-c1cnc2cc(Cl)cnn12
CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@H](F)C(C)(C)O)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(F)(F)C1)-c1cnc2cc(cnn12)C#N |r|
CO[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(cnn12)C#N |r,wU:5.8,19.21,wD:2.1,(6.21,4.09,;4.87,4.86,;3.54,4.09,;2.21,4.86,;.87,4.09,;.87,2.55,;2.21,1.78,;3.54,2.55,;-.46,1.78,;-.46,.24,;.87,-.53,;.87,-2.07,;-.46,-2.84,;-1.79,-2.07,;-1.79,-.53,;-3.13,.24,;-3.13,1.78,;-4.46,-.53,;-5.8,.24,;-7.13,-.53,;-7.13,-2.07,;-8.46,.24,;-7.69,1.57,;-9.23,1.57,;-9.8,-.53,;2.21,-2.84,;2.21,-4.38,;3.67,-4.86,;4.58,-3.61,;6.11,-3.45,;6.73,-2.04,;5.83,-.8,;4.3,-.96,;3.67,-2.37,;8.27,-1.88,;9.8,-1.72,)|
CC(C)Nc1cc(ncc1C(=O)NCC(F)C1CCNCC1)-c1cnc2cc(cnn12)C#N
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(F)C1)-c1cnc2cc(Cl)cnn12 |r,wU:4.4,(-6.93,1.8,;-7.7,.46,;-8.47,1.8,;-9.03,-.31,;-6.36,-.31,;-6.36,-1.85,;-5.03,.46,;-3.7,-.31,;-2.36,.46,;-2.36,2,;-1.03,-.31,;-1.03,-1.85,;.3,-2.62,;1.64,-1.85,;1.64,-.31,;.3,.46,;.3,2,;1.64,2.77,;3.13,2.37,;3.52,3.86,;4.86,4.63,;2.04,4.26,;2.97,-2.62,;2.97,-4.16,;4.44,-4.63,;5.34,-3.39,;6.87,-3.23,;7.5,-1.82,;9.03,-1.66,;6.59,-.57,;5.06,-.73,;4.44,-2.14,)|
C[C@@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOC1)-c1cnc2cc(cnn12)C#N |r|
CC[C@@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(C)(C)O)-c1cnc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-7.69,.83,;-8.46,-.51,;-9.23,.83,;-9.8,-1.28,;-7.13,-1.28,;-7.13,-2.82,;-5.8,-.51,;-4.46,-1.28,;-3.13,-.51,;-3.13,1.03,;-1.79,-1.28,;-1.79,-2.82,;-.46,-3.59,;.87,-2.82,;.87,-1.28,;-.46,-.51,;-.46,1.03,;.87,1.8,;.87,3.34,;2.21,4.11,;3.54,3.34,;3.54,1.8,;2.21,1.03,;4.87,4.11,;6.21,3.34,;4.47,5.6,;6.21,4.88,;2.21,-3.59,;2.21,-5.13,;3.67,-5.6,;4.58,-4.36,;6.11,-4.19,;6.73,-2.79,;5.83,-1.54,;4.3,-1.7,;3.67,-3.11,;8.27,-2.63,;9.8,-2.47,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(F)(F)F)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(F)(F)C1)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-c1cnc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@H](F)C(C)(C)O)-c1cnc2cc(cnn12)C(F)F |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(F)F)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(F)F)-c1cnc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1C(=O)NC[C@H](F)C(C)(C)O)-c1cnc2cc(F)cnn12 |r|
CC(C)Nc1cc(ncc1C(=O)NCCc1cccs1)-c1cnc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCCn1ccnc1)-c1cnc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NC1CCC(CC1)N(C)C)-c1cnc2cc(cnn12)C#N |(2.87,2.16,;1.54,2.93,;1.54,4.47,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-5.13,2.16,;-6.46,2.93,;-7.8,2.16,;-7.8,.62,;-6.46,-.15,;-9.13,2.93,;-10.46,2.16,;-9.13,4.47,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)|
CC(C)Nc1cc(ncc1C(=O)NCCc1ccccn1)-c1cnc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCCC1)-c1cnc2cc(cnn12)C#N
CC(C)(O)CCNC(=O)c1cnc(cc1NC1COC1)-c1cnc2cc(Cl)cnn12
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-c1cnc2cc(Cl)cnn12 |r,wU:13.13,wD:16.20,(4.31,2.16,;2.97,2.93,;2.97,4.47,;1.64,2.16,;1.64,.62,;2.97,-.15,;2.97,-1.69,;1.64,-2.46,;.3,-1.69,;.3,-.15,;-1.03,.62,;-1.03,2.16,;-2.36,-.15,;-3.7,.62,;-5.03,-.15,;-6.36,.62,;-6.36,2.16,;-5.03,2.93,;-3.7,2.16,;-7.7,2.93,;-9.03,2.16,;-10.36,2.93,;-9.03,.62,;4.31,-2.46,;4.31,-4,;5.77,-4.47,;6.68,-3.23,;8.21,-3.07,;8.83,-1.66,;10.36,-1.5,;7.93,-.41,;6.4,-.57,;5.77,-1.98,)|
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-c1cnc2cc(cnn12)C#N |r,wU:13.13,wD:16.20,(3.54,2.16,;2.21,2.93,;2.21,4.47,;.87,2.16,;.87,.62,;2.21,-.15,;2.21,-1.69,;.87,-2.46,;-.46,-1.69,;-.46,-.15,;-1.79,.62,;-1.79,2.16,;-3.13,-.15,;-4.46,.62,;-5.8,-.15,;-7.13,.62,;-7.13,2.16,;-5.8,2.93,;-4.46,2.16,;-8.46,2.93,;-9.8,2.16,;-11.13,2.93,;-9.8,.62,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
C[C@@H](CF)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-c1cnc2cc(cnn12)C(F)F |r|
COC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-c1cnc2cc(cnn12)C#N |r,wU:8.11,wD:5.4,(-11.8,2.16,;-10.46,2.93,;-9.13,2.16,;-9.13,.62,;-7.8,2.93,;-6.46,2.16,;-6.46,.62,;-5.13,-.15,;-3.8,.62,;-3.8,2.16,;-5.13,2.93,;-2.46,-.15,;-1.13,.62,;-1.13,2.16,;.21,-.15,;.21,-1.69,;1.54,-2.46,;2.87,-1.69,;2.87,-.15,;1.54,.62,;1.54,2.16,;2.87,2.93,;4.21,2.16,;2.87,4.47,;4.21,-2.46,;4.21,-4,;5.67,-4.47,;6.58,-3.23,;8.11,-3.07,;8.73,-1.66,;7.83,-.41,;6.3,-.57,;5.67,-1.98,;10.27,-1.5,;11.8,-1.34,)|
COC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1(C)CC1)-c1cnc2cc(cnn12)C#N |r,wU:8.11,wD:5.4,(-11.8,2.16,;-10.46,2.93,;-9.13,2.16,;-9.13,.62,;-7.8,2.93,;-6.46,2.16,;-6.46,.62,;-5.13,-.15,;-3.8,.62,;-3.8,2.16,;-5.13,2.93,;-2.46,-.15,;-1.13,.62,;-1.13,2.16,;.21,-.15,;.21,-1.69,;1.54,-2.46,;2.87,-1.69,;2.87,-.15,;1.54,.62,;1.54,2.16,;2.87,2.93,;2.87,4.47,;3.64,1.6,;4.41,2.93,;4.21,-2.46,;4.21,-4,;5.67,-4.47,;6.58,-3.23,;8.11,-3.07,;8.73,-1.66,;7.83,-.41,;6.3,-.57,;5.67,-1.98,;10.27,-1.5,;11.8,-1.34,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(CC(F)F)c1)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(F)Cn1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)n1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(CC(F)F)n1)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-c1cnn2cc(Cl)cnc12 |r|
CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r|
CC(C)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-c1cnn2cc(cnc12)C#N |r|
CC(C)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1cnn2cc(cnc12)C#N |r|
CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)cn1 |r|
CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r|
Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)cn1 |r|
COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r|
COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)cn1 |r|
Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)n(C)n1 |r|
CC(F)(F)Cn1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)n1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC2CC2)c1)-c1cnn2cc(cnc12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCC1)-c1cnn2cc(Cl)cnc12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC2CC2)c1)-c1cnn2cc(Cl)cnc12 |r|
O[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12 |r,wU:4.7,wD:1.0,(-9.03,1.98,;-7.7,1.21,;-7.7,-.33,;-6.36,-1.1,;-5.03,-.33,;-5.03,1.21,;-6.36,1.98,;-3.7,-1.1,;-2.36,-.33,;-2.36,1.21,;-1.03,-1.1,;-1.03,-2.64,;.3,-3.41,;1.64,-2.64,;1.64,-1.1,;.3,-.33,;.3,1.21,;1.64,1.98,;1.64,3.52,;3.1,4,;4.01,2.75,;5.55,2.75,;6.32,4.09,;7.86,4.09,;5.55,5.42,;3.1,1.51,;2.97,-3.41,;2.97,-4.95,;4.44,-5.42,;5.34,-4.18,;6.87,-4.01,;7.5,-2.61,;9.03,-2.45,;6.59,-1.36,;5.06,-1.52,;4.44,-2.93,)|
CC(C)(O)CCNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnn2cc(Cl)cnc12 |r,wU:4.3,wD:7.10,(-9.7,1.93,;-8.36,2.69,;-8.36,4.23,;-9.7,3.47,;-7.03,1.93,;-5.7,2.69,;-4.36,1.93,;-4.36,.38,;-5.7,-.38,;-7.03,.38,;-3.03,-.38,;-1.7,.38,;-1.7,1.93,;-.36,-.38,;-.36,-1.93,;.97,-2.69,;2.31,-1.93,;2.31,-.38,;.97,.38,;.97,1.93,;2.31,2.69,;2.31,4.23,;3.77,4.71,;4.67,3.47,;3.77,2.22,;6.21,3.47,;7.55,2.69,;7.55,4.23,;3.64,-2.69,;3.64,-4.23,;5.1,-4.71,;6.01,-3.47,;7.54,-3.3,;8.17,-1.9,;9.7,-1.74,;7.26,-.65,;5.73,-.81,;5.1,-2.22,)|
Cn1cc(Nc2cc(ncc2C(=O)NCCC(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1
Cn1cc(Nc2cc(ncc2C(=O)N[C@H]2CC[C@@H](CC2)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r,wU:17.21,wD:14.14,(6.21,3.47,;4.67,3.47,;3.77,2.22,;2.31,2.69,;.97,1.93,;.97,.38,;2.31,-.38,;2.31,-1.93,;.97,-2.69,;-.36,-1.93,;-.36,-.38,;-1.7,.38,;-1.7,1.93,;-3.03,-.38,;-4.36,.38,;-4.36,1.93,;-5.7,2.69,;-7.03,1.93,;-7.03,.38,;-5.7,-.38,;-8.36,2.69,;-9.7,1.93,;-8.36,4.23,;-9.7,3.47,;3.64,-2.69,;3.64,-4.23,;5.1,-4.71,;6.01,-3.47,;7.54,-3.3,;8.17,-1.9,;9.7,-1.74,;7.26,-.65,;5.73,-.81,;5.1,-2.22,;2.31,4.23,;3.77,4.71,)|
COC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(C)c1)-c1cnn2cc(Cl)cnc12 |r,wU:8.11,wD:5.4,(-11.03,1.93,;-9.7,2.69,;-8.36,1.93,;-8.36,.38,;-7.03,2.69,;-5.7,1.93,;-5.7,.38,;-4.36,-.38,;-3.03,.38,;-3.03,1.93,;-4.36,2.69,;-1.7,-.38,;-.36,.38,;-.36,1.93,;.97,-.38,;.97,-1.93,;2.31,-2.69,;3.64,-1.93,;3.64,-.38,;2.31,.38,;2.31,1.93,;3.64,2.69,;3.64,4.23,;5.1,4.71,;6.01,3.47,;7.55,3.47,;5.1,2.22,;4.97,-2.69,;4.97,-4.23,;6.44,-4.71,;7.34,-3.47,;8.87,-3.3,;9.5,-1.9,;11.03,-1.74,;8.6,-.65,;7.06,-.81,;6.44,-2.22,)|
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC(F)(F)C1)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(Cl)cnn12 |r,wU:7.10,wD:4.3,(-9.7,1.21,;-8.36,1.98,;-8.36,3.52,;-9.7,2.75,;-7.03,1.21,;-7.03,-.33,;-5.7,-1.1,;-4.36,-.33,;-4.36,1.21,;-5.7,1.98,;-3.03,-1.1,;-1.7,-.33,;-1.7,1.21,;-.36,-1.1,;-.36,-2.64,;.97,-3.41,;2.31,-2.64,;2.31,-1.1,;.97,-.33,;.97,1.21,;2.31,1.98,;2.31,3.52,;3.77,4,;4.67,2.75,;6.21,2.75,;6.98,4.09,;8.52,4.09,;6.21,5.42,;3.77,1.51,;3.64,-3.41,;3.64,-4.95,;5.1,-5.42,;6.01,-4.18,;7.54,-4.01,;8.17,-2.61,;9.7,-2.45,;7.26,-1.36,;5.73,-1.52,;5.1,-2.93,)|
CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1 |r|
CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(Cl)cnn23)cn1 |r|
CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1 |r|
CC(F)(F)Cn1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)n1 |r|
CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)F)-c2cnc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-c1cnc2cc(Cl)cnn12 |r|
Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(Cl)cnn23)cn1 |r|
CC(C)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-c1cnc2cc(cnn12)C#N |r|
Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC(F)(F)C1)-c1cnc2cc(Cl)cnn12 |r|
CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cc2CN(CC(F)F)CCn2n1)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-c1cnc2cc(cnn12)C#N |r|
CC(C)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)F)-c2cnc3cc(cnn23)C#N)cn1 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCC1)-c1cnc2cc(Cl)cnn12 |r|
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnc2cc(cnn12)C#N |r,wU:7.10,wD:4.3,(-10.46,1.93,;-9.13,2.69,;-9.13,4.23,;-10.46,3.47,;-7.8,1.93,;-7.8,.38,;-6.46,-.38,;-5.13,.38,;-5.13,1.93,;-6.46,2.69,;-3.8,-.38,;-2.46,.38,;-2.46,1.93,;-1.13,-.38,;-1.13,-1.93,;.21,-2.69,;1.54,-1.93,;1.54,-.38,;.21,.38,;.21,1.93,;1.54,2.69,;1.54,4.23,;3,4.71,;3.91,3.47,;3,2.22,;5.45,3.47,;6.78,2.69,;6.78,4.23,;2.87,-2.69,;2.87,-4.23,;4.34,-4.71,;5.24,-3.47,;6.77,-3.3,;7.4,-1.9,;6.5,-.65,;4.96,-.81,;4.34,-2.22,;8.93,-1.74,;10.46,-1.58,)|
CC(C)n1cc(Nc2cc(ncc2C(=O)NCCC(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncc(F)cn1)-c1cnc2cc(cnn12)C#N |r|
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
CC(C)Oc1cc2c(OCC3CCNCC3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(OC3CC4CCC3C4)ccnc2cc1C(N)=O |THB:8:9:13.12:15|
CC(C)Oc1cc2c(OCC3CCCNC3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OCC3CNCCO3)ccnc2cc1C(N)=O
CC(C)Oc1cc2c(O[C@H]3C[C@@H]4C[C@H]3CN(C4)C(=O)CC#N)ccnc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OCC3(CO)CCC(=O)N3)nccc2cc1C(N)=O
CC(C)Oc1cc2c(OC[C@@H]3NCCCO3)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#N)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(CN)c2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3C[C@@](F)(CF)C(=O)N3)nccc2cc1C(N)=O |r|
CO[C@H]1C[C@@H](COc2cccc3cc(C(N)=O)c(OC)cc23)NC1=O |r|
COc1cc2c(OC[C@H]3C[C@@H](F)C(=O)N3)nccc2cc1C(N)=O |r|
C[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC4CC4)cc23)NC(=O)[C@H]1F |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@H](CF)[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](CF)[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)C[C@H]34)nccc2cc1C(N)=O |r|
COc1cc2c(OC[C@H]3NC(=O)C[C@H]3CF)nccc2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cccc(=O)[nH]3)c2cc1C(N)=O |r|
CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)C1(F)F |r|
CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@H]1F |r|
COc1cc2c(OC[C@@H]3CCC(=O)N3)csc2nc1C(N)=O |r|
CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
COc1nc2c(OC[C@@H]3CCC(=O)N3)csc2cc1C(N)=O |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC)nc12 |r|
COc1nc2c(OCC3COCC(=O)N3)csc2cc1C(N)=O
CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@@H]1F |r|
CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)C11CC1 |r|
CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)C1(C)C |r|
COc1nc2c(OC[C@@H]3C[C@@H](F)C(=O)N3)csc2cc1C(N)=O |r|
COc1nc2c(OC[C@H]3NC(=O)C[C@H]3C(F)F)csc2cc1C(N)=O |r|
COc1nc2c(OC[C@@H]3CC(C)C(=O)N3)csc2cc1C(N)=O |r|
CCC1C[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC1=O |r|
COc1nc2c(OC[C@H]3NC(=O)C[C@H]3C)csc2cc1C(N)=O |r|
COc1nc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C3CC3)csc2cc1C(N)=O |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1c(C)sc2cc(C(N)=O)c(OC)nc12 |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC3CC3)nc12 |r|
COc1nc2c(OC[C@H]3NC(=O)C(F)(F)[C@H]3C)csc2cc1C(N)=O |r|
CC[C@H]1[C@@H](COc2c(C)sc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@H]1F |r|
CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC(C)C)nc23)NC(=O)[C@H]1F |r|
CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC4CC4)nc23)NC(=O)[C@H]1F |r|
COc1nc2c(OC[C@@H]3CCC(=O)N3)c(C)sc2cc1C(N)=O |r|
CC[C@@H]1OC(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC)nc12 |r|
COc1nc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)csc2cc1C(N)=O |r|
COc1nc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)csc2cc1C(N)=O |r|
CC[C@@H]1CC(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC)cc12 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnc4cccnn34)c(cc2C1=O)N1CCOCC1 |r|
Cc1nc(co1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N1CCOCC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3ccc[nH]c3=O)c(cc2C1=O)N1CCOCC1 |r|
Cn1cccc(C(=O)Nc2cc3CN(C[C@@H](F)C(C)(C)O)C(=O)c3cc2N2CCOCC2)c1=O |r|
CCn1cccc(C(=O)Nc2cc3CN(C[C@@H](F)C(C)(C)O)C(=O)c3cc2N2CCOCC2)c1=O |r|
CC(C)n1cccc(C(=O)Nc2cc3CN(C[C@@H](F)C(C)(C)O)C(=O)c3cc2N2CCOCC2)c1=O |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cccn(C4CC4)c3=O)c(cc2C1=O)N1CCOCC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cccc(n3)C#N)c(cc2C1=O)N1CCOCC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3coc(n3)-c3ccncc3)c(cc2C1=O)N1CCOCC1 |r|
C[C@H]1COCCN1c1nc(co1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N1CCOCC1 |r|
CC(C)Oc1cccc(n1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N(C)C |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cc(O)ccn3)c(cc2C1=O)N1CCOCC1 |r|
CN(C)c1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cccc(OC2CCNC2)n1 |r|
Cc1ncc(o1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1-c1ccc(C)cn1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3coc(n3)N3CCOCC3)c(cc2C1=O)N1CCOCC1 |r|
C[C@@H]1COCCN1c1nc(co1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N1CCOCC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2C1=O)N1CCOCC1 |r|
CN(C)c1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cccc(n1)C(F)(F)F |r|
COc1cccc(n1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N(C)C |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3csc4nccnc34)c(cc2C1=O)N1CCOCC1 |r|
C[C@@H](O)c1cccc(n1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N1CCOCC1 |r|
C[C@H](O)c1cccc(n1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N1CCOCC1 |r|
CO[C@H](C)c1cccc(n1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N1CCOCC1 |r|
CO[C@@H](C)c1cccc(n1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N1CCOCC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cccc(CC(F)(F)F)n3)c(cc2C1=O)N1CCOCC1 |r|
Cn1ccn2ncc(C(=O)Nc3cc4CN(C[C@@H](F)C(C)(C)O)C(=O)c4cc3N3CCOCC3)c2c1=O |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cccc(n3)C(C)(C)O)c(cc2C1=O)N1CCOCC1 |r|
CC(C)Oc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnc2cc(C)cnn12 |r|
Cc1cnn2c(cnc2c1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N1CCOCC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3csc4nccnc34)c(cc2C1=O)N1CCN(CC1)C1COC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3csc4cncnc34)c(cc2C1=O)N1CCN(CC1)C1COC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cccc4[nH]cnc34)c(cc2C1=O)N1CCOCC1 |r|
Cn1ncc(C(=O)Nc2cc3CN(C[C@@H](F)C(C)(C)O)C(=O)c3cc2N2CCOCC2)c1Cl |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cccc4ncnn34)c(cc2C1=O)N1CCOCC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4CCCOc34)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3ccc(O)nn3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3csc4c(N)ncnc34)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cccc4[nH]nnc34)c(cc2O1)N1CCOCC1
Cc1nc(ccc1C#N)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
Cc1nc(cs1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
Cc1cncc(n1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cccc(F)n3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3ccnc(n3)S(C)(=O)=O)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cc4ccncc4o3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnccn3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3ccc[nH]c3=O)c(cc2O1)N1CCOCC1
Cc1cnc(cn1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnsn3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnc4cccnn34)c(cc2O1)N1CCOCC1
Cn1ccc(n1)C(=O)Nc1cc2C[C@@](C)(CO)Oc2cc1N1CCOCC1 |r|
Cn1ccc(n1)C(=O)Nc1cc2C[C@](C)(CO)Oc2cc1N1CCOCC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3ccc4cccnn34)c(cc2O1)N1CCOCC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3ccc4cccnn34)c(cc2O1)N1CCOCC1 |r|
CC1(C)Cc2cc(NC(=O)c3cccc4[nH]cnc34)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cncc4[nH]cnc34)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2O1)N1CCOCC1
C[C@]1(CO)Cc2cc(NC(=O)c3ccc4cncnn34)c(cc2O1)N1CCOCC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3ccc4cncnn34)c(cc2O1)N1CCOCC1 |r|
Cc1nc2c(cncc2[nH]1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
C[C@H]1COCCN1c1nc(co1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1 |r|
CC1(C)Cc2cc(NC(=O)c3ccccn3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3c[nH]c4cccnc34)c(cc2O1)N1CCOCC1
Cc1ncc(o1)C(=O)Nc1cc2CC(C)(C)Oc2cc1-c1ccc(C)cn1
CC1(C)Cc2cc(NC(=O)c3cccs3)c(cc2O1)N1CCOCC1
Cc1ccc(o1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC1COCCN1c1nc(cs1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
Cc1cn(cn1)-c1nc(co1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccncn3)c(cc2O1)N1CCOCC1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3csc(n3)N3CCOCC3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3coc(n3)N3CCOCC3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3coc(n3)C3CC3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3coc(Br)n3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cccc4[nH]c(CO)nc34)c(cc2O1)N1CCOCC1
CC(C)(C)c1nc(co1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cscn3)c(cc2O1)N1CCOCC1
CCc1cnc([nH]1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
Cc1cnc([nH]1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3n[nH]c4cccnc34)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3ccncn3)c(cc2O1)N1CCOCC1
CC(C)(C)c1cnc([nH]1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3ccco3)c(cc2O1)N1CCOCC1
CC(=O)Nc1cc(ccn1)-n1ccc(n1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
Cn1nnc2c(cncc12)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
Cc1nc(co1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
Cn1nnc2c(cncc12)C(=O)Nc1cc2CC(C)(CO)Oc2cc1N1CCOCC1
CCn1nnc2c(cncc12)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC1(CO)Cc2cc(NC(=O)c3cc4OCC(C)(C)Cn4n3)c(cc2O1)N1CCOCC1
CC1COc2c(cnn2C1)C(=O)Nc1cc2CC(C)(CO)Oc2cc1N1CCOCC1
C[C@]1(CO)Cc2cc(NC(=O)c3csc4cc(Cl)cnc34)c(cc2O1)N1CCOCC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3csc4cc(Cl)cnc34)c(cc2O1)N1CCOCC1 |r|
COc1ccc(cn1)-n1ccc(n1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3ccn(n3)-c3ccnc(CO)c3)c(cc2O1)N1CCOCC1
COc1cc(ccn1)-n1ccc(n1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC(C)(O)c1cc(ccn1)-n1ccc(n1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3ccn(n3)-c3ccnc(NCC(F)(F)F)c3)c(cc2O1)N1CCOCC1
CC1(CO)Cc2cc(NC(=O)c3csc4cc(cnc34)C#N)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cncc4n(CCO)nnc34)c(cc2O1)N1CCOCC1
Cc1cn2cccc(C(=O)Nc3cc4CC(C)(C)Oc4cc3N3CCOCC3)c2n1
CC1(C)Cc2cc(NC(=O)c3ccn(n3)-c3ccc(=O)[nH]c3)c(cc2O1)N1CCOCC1
Cn1nnc2c(cncc12)C(=O)Nc1cc2C[C@@](C)(CO)Oc2cc1N1CCOCC1 |r|
Cn1nnc2c(cncc12)C(=O)Nc1cc2C[C@](C)(CO)Oc2cc1N1CCOCC1 |r|
CC1(C)Cc2cc(NC(=O)c3ccn(n3)-c3ccnc(c3)C#N)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3ccn(n3)-c3cc[nH]c(=O)c3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4ccc(=O)[nH]c34)c(cc2O1)N1CCOCC1
OCC1CCN(CC1)c1cc2OCCNc2cc1NC(=O)c1cnn2cccnc12
OCC1CCN(CC1)c1cc2OCC(=O)Nc2cc1NC(=O)c1cnn2cccnc12
CNC[C@H]1OC[C@@H](CO1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12 |r,wU:3.2,wD:6.9,(7.18,-1.54,;5.67,-1.83,;4.66,-.67,;3.15,-.97,;2.65,-2.42,;1.13,-2.72,;.12,-1.55,;.63,-.1,;2.14,.2,;-1.39,-1.85,;-1.89,-3.3,;-3.4,-3.6,;-4.19,-4.92,;-5.69,-4.57,;-6.09,-6.06,;-7.18,-4.97,;-5.83,-3.04,;-4.41,-2.44,;-3.91,-.98,;-2.4,-.69,;-1.9,.77,;-2.8,2.02,;-4.33,1.86,;-2.18,3.42,;-3.01,4.71,;-2.04,5.91,;-.61,5.36,;.77,6.06,;2.06,5.22,;1.98,3.68,;.6,2.98,;-.69,3.82,)|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CO)CC1
CC1(C)CNc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
CC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2NCCOc2cc1N1CCC(CO)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1
O=C(Nc1cc2NCCOc2cc1N1CCOCC1)c1cnn2cccnc12
CC1COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2N1
CC1CNc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCC(CO)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC[C@@H](CO)C1 |r|
CC1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC[C@H](CO)C1 |r|
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2CC(C)(CO)Oc2cc1N1CCC(CO)CC1
CC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOC(C)(C)C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(C)(CO)C1
CC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1
CNC[C@H]1OC[C@H](CO1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12 |r,wU:6.9,3.2,(6.89,-6.39,;5.49,-5.73,;5.36,-4.2,;3.96,-3.55,;2.7,-4.43,;1.31,-3.78,;1.17,-2.25,;2.44,-1.36,;3.83,-2.02,;-.28,-1.75,;-1.44,-2.76,;-2.9,-2.26,;-4.25,-3,;-5.37,-1.95,;-6.36,-3.13,;-6.89,-1.68,;-4.72,-.56,;-3.19,-.74,;-2.03,.27,;-.58,-.24,;.46,.82,;.19,2.26,;-1.15,2.79,;.59,3.75,;-.25,5.04,;.72,6.24,;2.15,5.69,;3.53,6.39,;4.82,5.55,;4.74,4.01,;3.37,3.31,;2.07,4.15,)|
CCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
CN(C)C(=O)C1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)C(N)C(F)(F)F
COCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
CC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(F)CC1
C[C@@]1(O)COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
C[C@]1(O)COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@](C)(CO)Oc2cc1N1CCOCC1 |r|
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@@](C)(CO)Oc2cc1N1CCOCC1 |r|
C[C@@]1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C
COc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
O=C(Nc1cc2NCCCOc2cc1N1CCOCC1)c1cnn2cccnc12
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOC(C)(C)C1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOC(C)(C)C1 |r|
CC1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1)C(O)=O
O=C(Nc1cc2CC3(CCOCC3)Oc2cc1N1CCOCC1)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(CO)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCS(=O)(=O)CC1
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2C[C@@H]1CO2 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2C[C@@H]1CO2 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(CO)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(CO)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@@H]2C[C@H]1CO2 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@@H]2C[C@H]1CO2 |r|
CNC(=O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
CNC(=O)[C@@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
C[C@@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1)C(F)F |r|
C[C@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1)C(F)F |r|
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@](C)(CO)Oc2cc1N1CCC(CC1)C(C)(C)O |r|
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@@](C)(CO)Oc2cc1N1CCC(CC1)C(C)(C)O |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cc(F)cnc34)c(cc2O1)N1CCOCC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cc(F)cnc34)c(cc2O1)N1CCOCC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC[C@H](F)C1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC[C@H](F)C1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC[C@@H](F)C1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC[C@@H](F)C1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CCO)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cc(cnc34)C3CC3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)C1CCNCC1
CN1CCC(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CC[C@H](O)CC3)cc2O1 |r,wU:21.22,24.26,(-5.67,-4.9,;-4.19,-4.5,;-4.58,-5.99,;-4.32,-2.97,;-2.9,-2.36,;-2.4,-.91,;-.89,-.61,;-.39,.84,;-1.29,2.09,;-2.83,1.93,;-.67,3.5,;-1.51,4.79,;-.54,5.98,;.9,5.43,;2.27,6.13,;3.56,5.29,;3.48,3.75,;2.11,3.06,;.82,3.89,;.12,-1.78,;1.63,-1.48,;2.64,-2.64,;2.14,-4.1,;3.15,-5.26,;4.66,-4.97,;5.67,-6.13,;5.16,-3.51,;4.15,-2.35,;-.38,-3.23,;-1.89,-3.53,;-2.69,-4.85,)|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CC[C@H](O)CC3)cc2O1 |r,wU:21.22,wD:24.26,(-5.67,-4.9,;-4.19,-4.5,;-4.58,-5.99,;-4.32,-2.97,;-2.9,-2.36,;-2.4,-.91,;-.89,-.61,;-.39,.84,;-1.29,2.09,;-2.83,1.93,;-.67,3.5,;-1.51,4.79,;-.54,5.98,;.9,5.43,;2.27,6.13,;3.56,5.29,;3.48,3.75,;2.11,3.06,;.82,3.89,;.12,-1.78,;1.63,-1.48,;2.64,-2.64,;4.15,-2.35,;5.16,-3.51,;4.66,-4.97,;5.67,-6.13,;3.15,-5.26,;2.14,-4.1,;-.38,-3.23,;-1.89,-3.53,;-2.69,-4.85,)|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(F)C1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(F)C1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC(O)C(F)(F)C1
CC1(C)Cc2cc(NC(=O)c3cnn4cc(cnc34)C(F)(F)F)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)(F)F)cc2O1
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)C(F)(F)F |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)C(F)(F)F |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)C(F)F |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)C(F)F |r|
CC1(CO)Cc2cc(NC(=O)c3cnn4cc(cnc34)C(F)F)c(cc2O1)N1CCOCC1
C[C@@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1)C(F)(F)F |r|
C[C@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1)C(F)(F)F |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@@H]2C[C@H]1CN2CC(F)(F)F |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@@H]2C[C@H]1CN2CC(F)(F)F |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)c(Cl)c2O1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)c(Cl)c2O1 |r|
CC1(C)COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2N1
Cc1c2O[C@@](C)(CO)Cc2cc(NC(=O)c2cnn3cccnc23)c1N1CCOCC1 |r|
Cc1c2O[C@](C)(CO)Cc2cc(NC(=O)c2cnn3cccnc23)c1N1CCOCC1 |r|
CC(=O)c1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@](C)(CO)Oc2cc1N1CCOCC1 |r|
CC(=O)c1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@@](C)(CO)Oc2cc1N1CCOCC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CCO)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CCO)CC1 |r|
CC1(C)Cc2cc(NC(=O)C3C=NN4C=CC=NC34)c(cc2O1)C1CCN(CC(F)(F)F)CC1 |c:11,14,16|
CC1(C)Cc2cc(NC(=O)c3cnn4cc(cnc34)C(F)F)c(cc2O1)N1CCOCC1
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@](C)(CO)Oc2cc1N1CCC(CO)CC1 |r|
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@@](C)(CO)Oc2cc1N1CCC(CO)CC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC[C@](C)(CO)C1 |r|
CC[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
CC[C@@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4ccccc34)c(cc2O1)N1CCn2cncc2C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCc2cncn2CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)-n1ccc(CO)c1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)-n1ccnc1
CC1CCCN1c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(O)CN(C1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CCOC2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(COC2)C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CCOC2)C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CCCC2O)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CC(O)C2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CNC2=O)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC2C(C1)C2(F)F
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)-c1ccc(=O)[nH]c1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(COC2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(O)C(F)C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCNCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2S1(=O)=O)N1CCOCC1
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2C[C@@H]1CN2CC(F)(F)F |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2C[C@@H]1CN2CC(F)(F)F |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(F)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(F)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2C[C@@H]1CN2CC(F)F |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2C[C@@H]1CN2CC(F)F |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CCOC2)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CCOC2)CC1 |r|
CN1CCN(CC1)c1cc2O[C@@](C)(CO)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
CN1CCN(CC1)c1cc2O[C@](C)(CO)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CO)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CO)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cc(F)cnc34)c(cc2O1)N1CCN(CC(F)F)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cc(F)cnc34)c(cc2O1)N1CCN(CC(F)F)CC1 |r|
CNC(=O)CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC(C)(CO)N1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC(C)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
CC(C)([C@@H](CN1Cc2cc(c(cc2C1=O)N3CCOCC3)NC(=O)c4cnn5c4nccc5)F)O
CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
CC1(CO)CCc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
O=C(Nc1cc2CC3(CCNCC3)Oc2cc1N1CCOCC1)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)c(C#N)c2O1
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2CC(C)(Oc2cc1N1CCOCC1)C(F)F
CCOP(=O)(OCC)OCC1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CN1CC2(C1)Cc1cc(NC(=O)c3cnn4cccnc34)c(cc1O2)N1CCOCC1
FC(F)CN1CC2(C1)Cc1cc(NC(=O)c3cnn4cccnc34)c(cc1O2)N1CCOCC1
FC(F)(F)CN1CC2(C1)Cc1cc(NC(=O)c3cnn4cccnc34)c(cc1O2)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCN(CC(F)F)CC1
CC(C)C1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
CC(C)(O)CN1CCN(CC1)c1cc2OC(C)(CO)Cc2cc1NC(=O)c1cnn2cccnc12
CN1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCOCC2)CC1
OC[C@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1)C(F)(F)F |r|
OC[C@@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1)C(F)(F)F |r|
C[C@]1(COC(F)F)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
C[C@@]1(COC(F)F)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
CC(C)(O)[C@@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
CC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
C[C@@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1)C1CC1 |r|
C[C@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1)C1CC1 |r|
C[C@@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(CO)CC1)C1CC1 |r|
C[C@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(CO)CC1)C1CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cc(Cl)cnc34)c(cc2O1)N1CCN(CO)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cc(Cl)cnc34)c(cc2O1)N1CCN(CO)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cc(Cl)cnc34)c(cc2O1)N1CCOCC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cc(Cl)cnc34)c(cc2O1)N1CCC2(CCOC2)CC1
CC1(CO)Cc2cc(NC(=O)c3cnn4cc(Cl)cnc34)c(cc2O1)N1CCN(CC(F)F)CC1
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cc(Cl)cnc34)c(cc2O1)N1CCN(CC(F)F)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC(F)(F)F)cc2O1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC(F)(F)F)cc2O1 |r|
FC(F)(F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
FC(F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
CC(C)(O)CCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
CC(C)(O)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
NC(=O)CN1CCN(CC1)c1cc2C(=O)N(Cc2cc1NC(=O)c1cnn2cccnc12)C1CCOCC1
COCCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
OCCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
CN1CCC(CC1)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
O[C@H]1CC[C@@H](CC1)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(-9.11,-.88,;-7.57,-.88,;-6.8,-2.21,;-5.26,-2.21,;-4.49,-.88,;-5.26,.45,;-6.8,.45,;-2.95,-.88,;-2.04,.36,;-.58,-.11,;.76,.66,;2.09,-.11,;3.42,.66,;3.42,2.2,;2.09,2.97,;4.76,2.97,;5,4.49,;6.52,4.73,;7.22,3.36,;8.71,2.96,;9.11,1.47,;8.02,.38,;6.53,.78,;6.13,2.27,;2.09,-1.65,;.76,-2.42,;-.58,-1.65,;-2.04,-2.13,;-2.44,-3.61,;3.42,-2.42,;3.42,-3.96,;4.76,-4.73,;6.09,-3.96,;6.09,-2.42,;4.76,-1.65,)|
CNC(=O)[C@@H]1[C@H]2CN(C[C@@H]12)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
CNC(=O)CC1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(C)(CC1)C(N)=O
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCC(O)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2[C@@H](C1)[C@@H]2C(N)=O |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(N)=O)CC1
Cn1cncc1C1CCN(C1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1Cc2cccnc2C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCC(C1)c1ccn[nH]1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC2COCC2C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(C1)c1cc[nH]n1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC2CC1CC2(F)F
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC2(C1)CCCOC2
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(C1)C(F)(F)F
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCC(F)(F)C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2CC(F)(F)C[C@H]2C1 |r|
COCC1CN(CCO1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC2CC(F)(F)C2C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2CCC(F)(F)[C@H]2C1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCC1CO
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCC(C1)c1ncc[nH]1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H](F)[C@H](F)C1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC2(CCC2(F)F)C1
CN(Cc1ccc(cc1)C#N)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)n1ccnc1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCC(F)(F)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CNC(=O)C2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC2C(CO)C2C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)C#N
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(F)C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)C(F)(F)F
CC(C)C(=O)N1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC(=O)N1CCCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC[C@@]2(CCOC2)C1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC[C@]2(CCOC2)C1 |r|
CN1CCN(CC(O)C1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC(C)NC(=O)CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC(C)(N1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12)C(N)=O
C[C@H]1CN(C[C@@H](C)N1CC(N)=O)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(=O)N2CCOCC2)CC1
Cc1nccc(n1)C1CCN(C1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC2CCCO2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CCn2ccnc2)CC1
CN(C)C(=O)CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCn2ccnc2C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC2CCOC2C1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)c1nnco1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(C1)C(N)=O
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC2COC(C1)C2O |THB:31:30:27.26:23.29.24|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCc2[nH]cnc2C1
COC1C2CCC1N(C2)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12 |TLB:1:2:7.8:4.5|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2CC12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(C1)S(N)(=O)=O
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(=O)NC2CC2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(=O)N2CCCC2)CC1
CC(N1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12)C(=O)NC1CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)C(O)C(F)(F)F
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1Cc2cn[nH]c2C1
CC1=NNC2CN(CC12)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12 |t:1|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CN(CC(F)F)C2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CN(CC(F)(F)F)C2)CC1
CC(C)(CO)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
O=C(Nc1cc2CN(C3COC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
O=C(Nc1cc2CN(CCC3COC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
O=C(Nc1cc2CN(CC#N)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
O=C(Nc1cc2CN(C3CCOC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
O=C(Nc1cc2CN(C3CCOCC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
COC(C)(C)CCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
O=C(Nc1cc2CN(CC3CCCCO3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC(F)F)CC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(CC1)[C@H](O)C(F)(F)F |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(F)(F)C1 |r|
O[C@H]1C[C@H](CN2Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3C2=O)N2CCOCC2)C1 |r,wU:1.0,wD:3.3,(-8.16,-5.11,;-7.38,-3.78,;-7.78,-2.29,;-6.29,-1.89,;-5.51,-.56,;-3.97,-.57,;-3.07,.68,;-1.6,.2,;-.27,.96,;1.06,.19,;2.4,.96,;2.4,2.5,;1.07,3.27,;3.74,3.26,;3.91,4.79,;5.41,5.11,;6.18,3.77,;7.68,3.45,;8.16,1.98,;7.12,.84,;5.62,1.17,;5.15,2.63,;1.06,-1.35,;-.28,-2.12,;-1.61,-1.34,;-3.07,-1.82,;-3.55,-3.28,;2.39,-2.12,;2.39,-3.66,;3.72,-4.44,;5.05,-3.66,;5.05,-2.12,;3.72,-1.35,;-5.89,-3.38,)|
OCC1CCN(CC1)c1cc2C(=O)N(CC(F)(F)F)Cc2cc1NC(=O)c1cnn2cccnc12
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N1CCOCC1 |r|
NC(=O)CN1CCN(CC1)c1cc2C(=O)N(CC(F)(F)F)Cc2cc1NC(=O)c1cnn2cccnc12
FC(F)CN1CCN(CC1)c1cc2C(=O)N(CC(F)(F)F)Cc2cc1NC(=O)c1cnn2cccnc12
CC(C)(CO)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
OCC1(CN2Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3C2=O)N2CCOCC2)COC1
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cc(Br)cnc34)c(cc2C1=O)N1CCOCC1 |r|
CC(C)(O)C(F)(F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cc(Cl)cnc34)c(cc2C1=O)N1CCOCC1 |r|
CC(C)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC(N)=O)CC1
OCC(F)(F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(CC1)C#N |r|
O=C(Nc1cc2CN([C@H]3CCOC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12 |r|
O=C(Nc1cc2CN([C@@H]3CCOC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12 |r|
O=C(Nc1cc2CN(C[C@H]3CCCCO3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12 |r|
O=C(Nc1cc2CN(C[C@@H]3CCCCO3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12 |r|
CC(C)(O)CCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC(F)F)CC1
CC(C)(O)CCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC(N)=O)CC1
CN1CCC(CC1)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC(N)=O)CC1
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(CC1)[C@@H](O)C(F)F |r|
CC(C)(O)[C@@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(CC1)[C@@H](O)C(F)F |r|
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N1CCN(CC(F)F)CC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cc(Cl)cnc34)c(cc2C1=O)N1CCN(CC(F)F)CC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cc(cnc34)C(N)=O)c(cc2C1=O)N1CCOCC1 |r|
CC(C)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2S1(=O)=O)N1CCOCC1
CC(C)(O)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2S1(=O)=O)N1CCOCC1
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2S1(=O)=O)N1CCOCC1 |r|
CCOP(=O)(OCC)OCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@H]3CCCN3)cc2O1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@H]3CCCN3CC(F)F)cc2O1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@@H]3C[C@@H]4C[C@@H]4N3CC(F)F)cc2O1 |r|
CN1C[C@H]2[C@H](COc3cc4OC(C)(C)Cc4cc3NC(=O)c3cnn4cccnc34)[C@H]2C1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@H]3[C@@H]4CNC[C@H]34)cc2O1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3CCOC3)cc2O1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCc3cccnc3)cc2O1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3CC3)cc2O1
CC1(COc2cc3OC(C)(C)Cc3cc2NC(=O)c2cnn3cccnc23)COC1
Cn1cc(COc2cc3OC(C)(C)Cc3cc2NC(=O)c2cnn3cccnc23)cn1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCc3ccncc3)cc2O1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)F)cc2O1
CC(Oc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12)c1cnn(C)c1
CN1CCCC(C1)Oc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@H]3CCNC(=O)C3)cc2O1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@@H]3CCNC(=O)C3)cc2O1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@H]3CNC(=O)C3)cc2O1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@@H]3CNC(=O)C3)cc2O1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3CCNCC3)cc2O1
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)F)cc2O1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)F)cc2O1 |r|
CC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CC[C@H](O)CC3)cc2O1 |r,wU:24.25,4.4,27.29,wD:4.3,(-3.86,2.29,;-4.63,3.62,;-6.17,3.62,;-5.4,2.29,;-3.86,4.95,;-5.35,5.35,;-3.54,6.46,;-2.01,6.62,;-1.1,7.87,;.43,7.71,;1.34,8.95,;.71,10.36,;-.82,10.52,;1.61,11.6,;1.14,13.07,;2.38,13.97,;3.63,13.07,;5.14,13.39,;6.17,12.25,;5.69,10.78,;4.19,10.46,;3.15,11.6,;1.06,6.3,;2.59,6.14,;3.22,4.73,;2.31,3.49,;2.94,2.08,;4.47,1.92,;5.09,.51,;5.37,3.16,;4.75,4.57,;.15,5.05,;-1.38,5.21,;-2.52,4.18,)|
CC(C)(O)[C@@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CC[C@H](O)CC3)cc2O1 |r,wU:24.25,4.3,27.29,wD:4.4,(-3.86,2.29,;-4.63,3.62,;-6.17,3.62,;-5.4,2.29,;-3.86,4.95,;-5.35,5.35,;-3.54,6.46,;-2.01,6.62,;-1.1,7.87,;.43,7.71,;1.34,8.95,;.71,10.36,;-.82,10.52,;1.61,11.6,;1.14,13.07,;2.38,13.97,;3.63,13.07,;5.14,13.39,;6.17,12.25,;5.69,10.78,;4.19,10.46,;3.15,11.6,;1.06,6.3,;2.59,6.14,;3.22,4.73,;2.31,3.49,;2.94,2.08,;4.47,1.92,;5.09,.51,;5.37,3.16,;4.75,4.57,;.15,5.05,;-1.38,5.21,;-2.52,4.18,)|
CC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CC[C@H](O)CC3)cc2O1 |r,wU:24.25,4.4,wD:4.3,27.29,(-3.86,2.21,;-4.63,3.54,;-6.17,3.54,;-5.4,2.21,;-3.86,4.88,;-5.35,5.28,;-3.54,6.38,;-2.01,6.55,;-1.1,7.79,;.43,7.63,;1.34,8.88,;.71,10.28,;-.82,10.44,;1.61,11.53,;1.14,12.99,;2.39,13.9,;3.63,12.99,;5.14,13.31,;6.17,12.17,;5.69,10.7,;4.19,10.38,;3.15,11.53,;1.06,6.22,;2.59,6.06,;3.22,4.66,;4.75,4.49,;5.37,3.09,;4.47,1.84,;5.09,.43,;2.94,2,;2.31,3.41,;.15,4.98,;-1.38,5.14,;-2.52,4.11,)|
CC(C)(O)[C@@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CC[C@H](O)CC3)cc2O1 |r,wU:24.25,4.3,wD:4.4,27.29,(-3.86,2.21,;-4.63,3.54,;-6.17,3.54,;-5.4,2.21,;-3.86,4.88,;-5.35,5.28,;-3.54,6.38,;-2.01,6.55,;-1.1,7.79,;.43,7.63,;1.34,8.88,;.71,10.28,;-.82,10.44,;1.61,11.53,;1.14,12.99,;2.39,13.9,;3.63,12.99,;5.14,13.31,;6.17,12.17,;5.69,10.7,;4.19,10.38,;3.15,11.53,;1.06,6.22,;2.59,6.06,;3.22,4.66,;4.75,4.49,;5.37,3.09,;4.47,1.84,;5.09,.43,;2.94,2,;2.31,3.41,;.15,4.98,;-1.38,5.14,;-2.52,4.11,)|
OCC1CCN(CC1)c1cc2O[C@@](CO)(Cc2cc1NC(=O)c1cnn2cccnc12)C(F)(F)F |r|
OCC1CCN(CC1)c1cc2O[C@](CO)(Cc2cc1NC(=O)c1cnn2cccnc12)C(F)(F)F |r|
OC[C@@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(CO)CC1)C(F)(F)F |r|
OC[C@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(CO)CC1)C(F)(F)F |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CNC2=O)CC1 |r|
CC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC2C(CO)C2C1
CC(C)(O)C1CCN(CC1)c1cc2O[C@](C)(CO)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
CC(F)CN1CCN(CC1)c1cc2OC(Cc2cc1NC(=O)c1cnn2cc(C)cnc12)C(C)CO
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@@](C)(CO)Oc2cc1N1CCN(CC(F)F)CC1 |r|
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@](C)(CO)Oc2cc1N1CCN(CC(F)F)CC1 |r|
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2CC(C)(CO)Oc2cc1N1CCC(F)(CO)CC1
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC[C@](C)(O)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC[C@@](C)(O)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC[C@](C)(O)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC[C@@](C)(O)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC(N)=O)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC(N)=O)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)C#N |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC[C@H](O)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC[C@H](O)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC[C@@H](O)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC[C@@H](O)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)C1(O)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)C1(O)CC1 |r|
CCC(=O)C1CCN(CC1)c1cc2OC(C)(CO)Cc2cc1NC(=O)c1cnn2cccnc12
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)n1ccnc1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)n1ccnc1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2[C@@H](C1)C2C(N)=O |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2[C@@H](C1)C2C(N)=O |r|
Cn1cc(COc2cc3O[C@@](C)(CO)Cc3cc2NC(=O)c2cnn3cccnc23)cn1 |r|
CC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)C(O)C(F)F
CC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CO)CC1 |r|
CC(C)(O)[C@@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CO)CC1 |r|
CC(C)(O)C1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(N)=O)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)C1CCN(CCO)CC1
CC1(C)Oc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1O)N1CCOCC1
CC1(C)Oc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
CC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1 |r|
CC(C)(O)[C@@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1 |r|
CC1(COC(F)F)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1
CC(C)(O)C1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CO)CC1
CC1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1)C(F)F
OC[C@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1)C(F)(F)F |r|
OC[C@@]1(Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(F)F)CC1)C(F)(F)F |r|
C[C@@]1(CC(F)F)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
C[C@]1(CC(F)F)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
OCCN1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCOCC2)CC1
FC(F)CN1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCOCC2)CC1
CN1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCC(CO)CC2)CC1
CC(C)N1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCOCC2)CC1
CN1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCN(CC(N)=O)CC2)CC1
CC(=O)N1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCN(CC(N)=O)CC2)CC1
O=C(CN1CCN(CC1)c1cc2OC3(Cc2cc1NC(=O)c1cnn2cccnc12)CCNCC3)NC1CC1
CN1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCN(CC(=O)NC3CC3)CC2)CC1
FC(F)COc1cc2OC3(Cc2cc1NC(=O)c1cnn2cccnc12)CCNCC3
CN1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(OCC(F)F)cc3O2)CC1
CNc1cnc2c(cnn2c1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCN(CC(F)F)CC1
CNc1cnc2c(cnn2c1)C(=O)Nc1cc2CC3(CCN(C)CC3)Oc2cc1N1CCOCC1
CNc1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@@](C)(CO)Oc2cc1N1CCN(CC(F)F)CC1 |r|
CNc1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@](C)(CO)Oc2cc1N1CCN(CC(F)F)CC1 |r|
CNc1cnc2c(cnn2c1)C(=O)Nc1cc2CC3(CCOCC3)Oc2cc1N1CCN(CC(F)F)CC1
CC1(C)Cc2cc(NC(=O)C(\C=N)=C3\NC=CC=N3)c(cc2O1)C1CC1 |c:15,17|
CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2S1(=O)=O)N1CCOCC1
CC1(CC#N)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
C[C@]1(CCO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
C[C@@]1(CCO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(CN)CC1
CN1CC[C@@]2(C1)Cc1cc(NC(=O)c3cnn4cccnc34)c(cc1O2)N1CCOCC1 |r|
CN1CC[C@]2(C1)Cc1cc(NC(=O)c3cnn4cccnc34)c(cc1O2)N1CCOCC1 |r|
CC(C)(O)C(F)C1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
O=C(Nc1cc2CC3(CCNC3)Oc2cc1N1CCOCC1)c1cnn2cccnc12
OCC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
CNC(=O)C1CC1c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)[C@@H]1C[C@H]1C(N)=O |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)[C@@H]1C[C@H]1CO |r|
CNc1cnc2c(cnn2c1)C(=O)Nc1cc2CN(C(C)C)C(=O)c2cc1N1CCOCC1
F[C@H]1COCC[C@@H]1N1Cc2cc(NC(=O)C(\C=N)=C3\NC=CC=N3)c(cc2C1=O)N1CCOCC1 |r,c:21,23|
F[C@@H]1COCC[C@H]1N1Cc2cc(NC(=O)C(\C=N)=C3\NC=CC=N3)c(cc2C1=O)N1CCOCC1 |r,c:21,23|
CN1CCc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
O=C(Nc1cc2NCCS(=O)(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
CC1(C)CS(=O)(=O)c2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2N1
Cn1cc(cn1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)-c1cncc(c1)C#N
Cn1ccnc1-c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)C(\C=N)=C3\NC=C(C=N3)C#N)c(cc2O1)N1CCOCC1 |c:15,17|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CC[N+](C)(CC(N)=O)CC1
C[C@@](O)(C1CCN(CC1)c1cc2O[C@@](C)(CO)Cc2cc1NC(=O)c1cnn2cccnc12)C(F)(F)F |r|
C[C@](O)(C1CCN(CC1)c1cc2O[C@@](C)(CO)Cc2cc1NC(=O)c1cnn2cccnc12)C(F)(F)F |r|
C[C@@](O)(C1CCN(CC1)c1cc2O[C@](C)(CO)Cc2cc1NC(=O)c1cnn2cccnc12)C(F)(F)F |r|
C[C@](O)(C1CCN(CC1)c1cc2O[C@](C)(CO)Cc2cc1NC(=O)c1cnn2cccnc12)C(F)(F)F |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2[C@@H](C1)[C@@H]2C(N)=O |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2[C@@H](C1)[C@@H]2C(N)=O |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(N)=O)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(N)=O)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CNC(=O)C2)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC2(CNC(=O)C2)CC1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1Cc2cccnc2C1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1Cc2cccnc2C1 |r|
C[C@](O)(C1CCN(CC1)c1cc2OC[C@@](C)(O)Cc2cc1NC(=O)c1cnn2cccnc12)C(F)(F)F |r|
C[C@](O)(C1CCN(CC1)c1cc2OC[C@](C)(O)Cc2cc1NC(=O)c1cnn2cccnc12)C(F)(F)F |r|
C[C@@](O)(C1CCN(CC1)c1cc2OCC(C)(O)Cc2cc1NC(=O)c1cnn2cccnc12)C(F)(F)F |r|
C[C@]1(O)COc2cc(N3CCN(CC(N)=O)CC3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
C[C@@]1(O)COc2cc(N3CCN(CC(N)=O)CC3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
C[C@]1(O)COc2cc(N3CCC(CC3)C#N)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
C[C@@]1(O)COc2cc(N3CCC(CC3)C#N)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
C[C@]1(O)COc2cc(N3CCC(CC3)n3ccnc3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
C[C@@]1(O)COc2cc(N3CCC(CC3)n3ccnc3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
Cn1cc(COc2cc3OC[C@@](C)(O)Cc3cc2NC(=O)c2cnn3cccnc23)cn1 |r|
Cn1cc(COc2cc3OC[C@](C)(O)Cc3cc2NC(=O)c2cnn3cccnc23)cn1 |r|
C[C@@]1(CO)CCc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
C[C@]1(CO)CCc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
CC(C)(O)CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CCC(O)(CC)CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CN(C)C(=O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
CN(C)C(=O)[C@@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(=O)NCC2CCCO2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(=O)Nc2nccs2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN2CCC[C@H]2C1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN2CCC[C@@H]2C1 |r|
CSCC[C@@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCCC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CCN(CC(N)=O)C3)cc2O1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CN(CCO)C3)cc2O1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CCN(CC(N)=O)C3)cc2O1 |r|
CCn1cc(COc2cc3OC(C)(C)Cc3cc2NC(=O)c2cnn3cccnc23)cn1
N[C@H]1CO[C@H](CN2Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3C2=O)N2CCOCC2)OC1 |r,wU:4.4,wD:1.0,(-8.34,4.45,;-7.57,3.12,;-8.34,1.79,;-7.57,.45,;-6.03,.45,;-5.26,-.88,;-3.72,-.88,;-2.81,.36,;-1.35,-.11,;-.01,.66,;1.32,-.11,;2.65,.66,;2.65,2.2,;1.32,2.97,;3.99,2.97,;4.23,4.49,;5.75,4.73,;6.45,3.36,;7.94,2.96,;8.34,1.47,;7.25,.38,;5.76,.78,;5.36,2.27,;1.32,-1.65,;-.01,-2.42,;-1.35,-1.65,;-2.81,-2.13,;-3.21,-3.61,;2.65,-2.42,;2.65,-3.96,;3.99,-4.73,;5.32,-3.96,;5.32,-2.42,;3.99,-1.65,;-5.26,1.79,;-6.03,3.12,)|
COc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)C(N)=O
CCN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CSCCN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CCC(N)=O)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC#N)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CCC#N)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC2CC2)CC1
Cc1noc(CN2CCN(CC2)c2cc3OC(C)(C)Cc3cc2NC(=O)c2cnn3cccnc23)n1
Cn1cc(CN2CCN(CC2)c2cc3OC(C)(C)Cc3cc2NC(=O)c2cnn3cccnc23)cn1
Cc1nc(CN2CCN(CC2)c2cc3OC(C)(C)Cc3cc2NC(=O)c2cnn3cccnc23)no1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CCn2cccn2)CC1
Cc1nnc(CN2CCN(CC2)c2cc3OC(C)(C)Cc3cc2NC(=O)c2cnn3cccnc23)o1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC2CCOCC2)CC1
COCCCN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC2CCC2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC1)C1CCNC1=O
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC2CCC(=O)N2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(O)CO)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CCN2CCCC2=O)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cc(CO)cnc34)c(cc2O1)N1CCOCC1
C[C@@H](N1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12)C(N)=O |r|
C[C@H](N1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12)C(N)=O |r|
C[C@H](O)CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
C[C@@H](O)CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
CC(C)(N)CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
C[C@@H](N)CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
C[C@H](N)CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
Cc1oc(=O)[nH]c1CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC(C)N1Cc2cc(NC(=O)c3cnn4ccc(nc34)C(F)F)c(cc2C1=O)N1CCOCC1
CC(C)N1Cc2cc(NC(=O)c3cnn4cc(cnc34)C#N)c(cc2C1=O)N1CCOCC1
CC(C)N1Cc2cc(NC(=O)c3cnn4cc(cnc34)C(N)=O)c(cc2C1=O)N1CCOCC1
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)C1CC1 |r|
Cn1cnc(c1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
Cn1ccc(n1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cc(cnc34)C3CNC3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cc(cnc34)C(N)=O)c(cc2O1)N1CCOCC1
CNC(=O)c1cnc2c(cnn2c1)C(=O)Nc1cc2CN(C[C@@H](F)C(C)(C)O)C(=O)c2cc1N1CCOCC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cc(OC(F)F)cnc34)c(cc2O1)N1CCOCC1
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3CC3)cc2C1=O |r|
C[C@H]1CN(C)CC[C@]11Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
C[C@@H]1CN(C)CC[C@]11Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)ccc2C1=O |r|
FCCN1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCOCC2)CC1
CCN1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCOCC2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(Cc2ncc[nH]2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(Cc2cnoc2)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(Cc2ccn[nH]2)CC1
Cn1cncc1CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
Cc1nc(CN2CCN(CC2)c2cc3OC(C)(C)Cc3cc2NC(=O)c2cnn3cccnc23)c[nH]1
CC(C)N1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(Cc2c[nH]cn2)CC1
C[C@]1(O)CCc2cc(N3CCN(CC(F)F)CC3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4ccc(C[C@@H]5CNC(=O)C5)nc34)c(cc2O1)C1CC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4ccc(C[C@H]5CNC(=C)C5)nc34)c(cc2O1)C1CC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4ccc(C[C@H]5CCNC5=O)nc34)c(cc2O1)C1CC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4ccc(C[C@@H]5CCNC5=O)nc34)c(cc2O1)C1CC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2[C@H]1O)N1CCOCC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2[C@@H]1O)N1CCOCC1 |r|
CP(C)(=O)c1ccc(NC(=O)c2cnn3cccnc23)c(c1)N1CCOCC1
C[C@@]1(CC#N)COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
C[C@]1(CC#N)COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(Cl)cc2C1=O |r|
CC(C)(O)[C@@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(Cc2c[nH]cn2)CC1 |r|
CC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(Cc2c[nH]cn2)CC1 |r|
CC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(N)=O)CC1 |r|
CC(C)(O)[C@@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(N)=O)CC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)C(N)=O
CN(C)C1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCNCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(CC1)C(N)=O
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(C)(CC(N)=O)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(O)(CC(N)=O)CC1
CN(C)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
Cn1cnc(COc2cc3OC(C)(C)Cc3cc2NC(=O)c2cnn3cccnc23)c1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCc3c[nH]cn3)cc2O1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@H]3CCC(=O)N3)cc2O1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@@H]3CCC(=O)N3)cc2O1 |r|
Cc1cc(COc2cc3OC(C)(C)Cc3cc2NC(=O)c2cnn3cccnc23)n[nH]1
Cc1nc(COc2cc3OC(C)(C)Cc3cc2NC(=O)c2cnn3cccnc23)c[nH]1
C[C@H](CC(C)(C)O)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
C[C@@H](CC(C)(C)O)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
CN1CC(C1)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
CC(C)(O)[C@@H]1CC[C@@H](CC1)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r,wU:7.10,4.3,(-8.58,-4.75,;-8.07,-3.3,;-9.08,-2.14,;-9.59,-3.59,;-6.56,-3.01,;-5.55,-4.17,;-4.04,-3.87,;-3.54,-2.42,;-4.55,-1.26,;-6.06,-1.55,;-2.02,-2.19,;-1.31,-.82,;.21,-1.07,;1.42,-.11,;2.85,-.68,;4.05,.28,;3.82,1.81,;2.39,2.37,;5.03,2.77,;4.96,4.31,;6.4,4.85,;7.36,3.64,;8.9,3.55,;9.59,2.17,;8.74,.89,;7.2,.98,;6.51,2.36,;3.08,-2.2,;1.87,-3.16,;.44,-2.6,;-.94,-3.29,;-1.19,-4.8,;4.51,-2.76,;4.74,-4.28,;6.18,-4.85,;7.38,-3.89,;7.15,-2.36,;5.72,-1.8,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r,wU:7.10,wD:4.3,(-8.58,-4.75,;-8.07,-3.3,;-9.08,-2.14,;-9.59,-3.59,;-6.56,-3.01,;-5.55,-4.17,;-4.04,-3.87,;-3.54,-2.42,;-4.55,-1.26,;-6.06,-1.55,;-2.02,-2.19,;-1.31,-.82,;.21,-1.07,;1.42,-.11,;2.85,-.68,;4.05,.28,;3.82,1.81,;2.39,2.37,;5.03,2.77,;4.96,4.31,;6.4,4.85,;7.36,3.64,;8.9,3.55,;9.59,2.17,;8.74,.89,;7.2,.98,;6.51,2.36,;3.08,-2.2,;1.87,-3.16,;.44,-2.6,;-.94,-3.29,;-1.19,-4.8,;4.51,-2.76,;4.74,-4.28,;6.18,-4.85,;7.38,-3.89,;7.15,-2.36,;5.72,-1.8,)|
O[C@H]1CCC[C@@H]1CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
O[C@@H]1CCC[C@H]1CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
C[C@@H](CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1)N1CCOCC1 |r|
C[C@H](CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1)N1CCOCC1 |r|
CN1CC[C@@H](N2Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3C2=O)N2CCOCC2)C1=O |r|
CN1CC[C@H](N2Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3C2=O)N2CCOCC2)C1=O |r|
O=C(Nc1cc2CN(C[C@@H]3CCOC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12 |r|
O=C(Nc1cc2CN(C[C@H]3CCOC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12 |r|
C[C@H](O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
C[C@@H](O)[C@@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
O[C@H]1CCC[C@H]1CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
O[C@@H]1CCC[C@@H]1CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
C[C@H](O)[C@@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
C[C@@H](O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC1 |r|
OC[C@@H]1CCC[C@@H]1N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
OC[C@H]1CCC[C@H]1N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
OC[C@H]1CCC[C@@H]1N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
OC[C@@H]1CCC[C@H]1N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(C)(CC1)C#N |r|
CN(C)c1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
Cc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)sn1 |r,wU:12.12,wD:9.8,(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
Cc1cc(Nc2nc(NC3CC(O)C3)c3sccc3n2)sn1 |(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.08,-.69,;1.46,-2.09,;.08,-2.78,;3.27,-2.51,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
Cc1cc(Nc2nc(NC3C[C@@](C)(O)C3)c3sccc3n2)sn1 |r,wU:11.12,wD:11.11,(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.82,-2.34,;1.41,-1.71,;-.05,-2.19,;1.33,-3.25,;2.18,-.38,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
Cc1cc(Nc2nc(NC3CC[C@@H](O)C3)c3sccc3n2)sn1 |r|
Cc1cc(Nc2nc(NC3CC[C@H](O)C3)c3sccc3n2)sn1 |r|
Cc1cc(Nc2nc(NC3CCC(C)(O)C3)c3sccc3n2)sn1
CC[C@H]1CC(Nc2nc(Nc3cc(C)ns3)nc3ccsc23)[C@H](O)[C@@H]1O |r|
Cc1cc(Nc2nc(NC3CC[C@H](O)CC3)c3sccc3n2)sn1 |r,wU:12.12,(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
Cc1cc(Nc2nc(NC3CC[C@@](C)(O)CC3)c3sccc3n2)sn1 |r,wU:12.12,wD:12.13,(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;.92,-4.09,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
Cc1cc(Nc2nc(NC3CCC(CO)CC3)c3sccc3n2)sn1 |(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;-1.74,-2.55,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
CC1CC(CCC1O)Nc1nc(Nc2cc(C)ns2)nc2ccsc12
CCC1(O)CCC(CC1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |(-1.73,-2.27,;-.32,-1.64,;.92,-2.55,;-.41,-3.32,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;6.35,6.83,;6.82,8.29,;5.92,9.54,;8.36,8.29,;8.84,6.83,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
Cc1cc(Nc2nc(NC3CCC(CC3)C(N)=O)c3sccc3n2)sn1 |(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;2.26,-3.32,;3.59,-2.55,;-.41,-3.32,;-.41,-4.86,;-1.74,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
Cc1cc(Nc2nc(NC3CC[C@H](O)[C@@H](O)C3)c3sccc3n2)sn1 |r|
Cc1cc(Nc2nc(OC3CC[C@H](O)CC3)c3sccc3n2)sn1 |r,wU:12.12,(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
CO[C@H]1CCC(CC1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wD:2.1,(-1.74,-2.55,;-.41,-3.32,;.92,-2.55,;2.26,-3.32,;3.59,-2.55,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;6.35,6.83,;6.82,8.29,;5.92,9.54,;8.36,8.29,;8.84,6.83,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
Cc1cc(Nc2nc(NC3CC[C@H](O)CC3)c3sccc3n2)on1 |r,wD:12.12,(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;.92,-2.55,;-.41,-3.32,;.92,-1.01,;2.26,-.24,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
Cn1ccc(Nc2nc(NC3CC[C@H](O)CC3)c3sccc3n2)n1 |r,wD:13.13,(9.27,9.54,;8.36,8.29,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;.92,-2.55,;-.41,-3.32,;.92,-1.01,;2.26,-.24,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccno2)nc2ccsc12 |r,wD:1.0,(-.41,-3.32,;.92,-2.55,;2.26,-3.32,;3.59,-2.55,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;6.35,6.83,;6.82,8.29,;8.36,8.29,;8.84,6.83,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
COc1cc(Nc2nc(NC3C[C@H](CO)[C@H](O)[C@@H]3O)c3sccc3n2)ccn1 |r|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccncc2)nc2ccsc12 |r,wD:1.0,(-.41,-3.32,;.92,-2.55,;2.26,-3.32,;3.59,-2.55,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;7.59,9,;6.26,8.23,;6.26,6.69,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
Cc1cc(Nc2nc(NC3CC[C@@](C)(O)CC3)c3sccc3n2)cc(C)n1 |r,wU:12.12,wD:12.13,(4.92,9,;6.26,8.23,;6.26,6.69,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;.76,-4.08,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.92,6.69,;8.92,8.23,;10.26,9,;7.59,9,)|
COc1cc(Nc2nc(NC3CC[C@@](C)(O)CC3)c3sccc3n2)ccn1 |r,wU:13.13,wD:13.14,(10.26,10.54,;10.26,9,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;.76,-4.08,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;6.26,6.69,;6.26,8.23,;7.59,9,)|
CN(C1CCC(C)(O)CC1)c1nc(Nc2cc(C)ns2)nc2ccsc12 |(2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-3.19,-6.07,;-4.18,-4.35,;-1.33,-5.39,;,-4.62,;1.33,-.77,;2.67,,;2.67,1.54,;4,2.31,;5.33,1.54,;6.74,2.17,;7.77,1.02,;9.3,1.18,;7,-.31,;5.5,.01,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)-c2ccccc2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;4.38,9.38,;3.48,10.62,;4.11,12.03,;5.64,12.19,;6.54,10.95,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
OCCn1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)cn1 |r,wU:14.14,wD:11.10,(3.48,10.62,;4.38,9.38,;5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCCC2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;6.39,11,;5.15,11.91,;3.9,11,;4.38,9.54,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCCNC2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;6.54,10.95,;5.64,12.19,;4.11,12.03,;3.48,10.62,;4.38,9.38,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)-c2ccccc2O)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;6.54,10.95,;5.64,12.19,;4.11,12.03,;3.48,10.62,;4.38,9.38,;3.76,7.97,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)-c2cccc(O)c2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;6.54,10.95,;5.64,12.19,;4.11,12.03,;3.48,10.62,;1.95,10.46,;4.38,9.38,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)-c2ccc(O)cc2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;6.54,10.95,;5.64,12.19,;4.11,12.03,;3.2,13.28,;3.48,10.62,;4.38,9.38,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
COc1cccc(c1)-n1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)cn1 |r,wU:19.20,wD:16.16,(1.04,11.71,;1.95,10.46,;3.48,10.62,;4.11,12.03,;5.64,12.19,;6.54,10.95,;5.92,9.54,;4.38,9.38,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
COc1ccc(cc1)-n1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)cn1 |r,wU:19.20,wD:16.16,(1.67,13.12,;3.2,13.28,;4.11,12.03,;5.64,12.19,;6.54,10.95,;5.92,9.54,;4.38,9.38,;3.48,10.62,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)-c2cccc(c2)N2CCOCC2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;6.54,10.95,;5.64,12.19,;4.11,12.03,;3.48,10.62,;4.38,9.38,;1.95,10.46,;1.04,11.71,;-.49,11.55,;-1.12,10.14,;-.21,8.89,;1.32,9.06,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)-c2ccc(cc2)N2CCOCC2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;6.54,10.95,;5.64,12.19,;4.11,12.03,;3.48,10.62,;4.38,9.38,;3.2,13.28,;3.83,14.68,;2.92,15.93,;1.39,15.77,;.76,14.36,;1.67,13.12,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)-c2ccccn2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;4.38,9.38,;3.48,10.62,;4.11,12.03,;5.64,12.19,;6.54,10.95,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)-c2cccnc2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;4.38,9.38,;3.48,10.62,;4.11,12.03,;5.64,12.19,;6.54,10.95,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)-c2ccncc2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;6.54,10.95,;5.64,12.19,;4.11,12.03,;3.48,10.62,;4.38,9.38,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)-c2ccncn2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;4.38,9.38,;3.48,10.62,;4.11,12.03,;5.64,12.19,;6.54,10.95,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)-c2cncnc2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;6.54,10.95,;5.64,12.19,;4.11,12.03,;3.48,10.62,;4.38,9.38,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
Cc1ncccc1-n1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)cn1 |r,wU:18.19,wD:15.15,(3.76,7.97,;4.38,9.38,;3.48,10.62,;4.11,12.03,;5.64,12.19,;6.54,10.95,;5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
Cc1cncc(c1)-n1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)cn1 |r,wU:18.19,wD:15.15,(1.95,10.46,;3.48,10.62,;4.11,12.03,;5.64,12.19,;6.54,10.95,;5.92,9.54,;4.38,9.38,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
Cc1cc(ccn1)-n1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)cn1 |r,wU:18.19,wD:15.15,(1.95,10.46,;3.48,10.62,;4.38,9.38,;5.92,9.54,;6.54,10.95,;5.64,12.19,;4.11,12.03,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C(=O)CC2CCNCC2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.84,6.83,;8.36,8.29,;6.82,8.29,;6.35,6.83,;5.92,9.54,;6.54,10.95,;4.38,9.38,;3.48,10.62,;4.11,12.03,;3.2,13.28,;1.67,13.11,;1.04,11.71,;1.95,10.46,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
CN1CCN(CC1)C(=O)c1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)sn1 |r,wU:17.17,wD:20.21,(12.92,-3.8,;12.02,-2.55,;12.65,-1.15,;11.74,.1,;10.21,-.06,;9.58,-1.47,;10.49,-2.72,;9.3,1.18,;9.93,2.59,;7.77,1.02,;6.74,2.17,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;-4,-5.39,;-2.67,-3.08,;-1.33,-2.31,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;5.5,.01,;7,-.31,)|
COCCNC(=O)c1cc(Nc2nc(N[C@H]3CC[C@](C)(O)CC3)c3sccc3n2)sn1 |r,wU:15.14,18.18,wD:18.19,(11.1,-2.91,;12.56,-2.44,;12.88,-.93,;11.74,.1,;10.21,-.06,;9.3,1.18,;9.93,2.59,;7.77,1.02,;6.74,2.17,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;-4,-3.85,;-4,-5.39,;-2.67,-3.08,;-1.33,-2.31,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;5.5,.01,;7,-.31,)|
C[C@]1(O)CC[C@@H](CC1)Nc1nc(Nc2cc(ns2)C(=O)NC2CCNC2)nc2ccsc12 |r,wU:5.8,1.0,wD:1.1,(-8.44,-2.45,;-7.11,-3.22,;-8.44,-3.99,;-5.78,-3.99,;-4.44,-3.22,;-4.44,-1.68,;-5.78,-.91,;-7.11,-1.68,;-3.11,-.91,;-3.11,.63,;-1.77,1.4,;-1.77,2.94,;-.44,3.71,;.89,2.94,;2.3,3.57,;3.33,2.42,;2.56,1.09,;1.05,1.41,;4.86,2.58,;5.49,3.99,;5.77,1.34,;5.14,-.07,;3.63,-.39,;3.47,-1.92,;4.88,-2.55,;5.91,-1.4,;-3.11,3.71,;-4.44,2.94,;-5.91,3.42,;-6.81,2.17,;-5.91,.92,;-4.44,1.4,)|
C[C@]1(O)CC[C@@H](CC1)Nc1nc(Nc2cc(ns2)C(=O)NC2CCNC2)nc2ccsc12 |r,wU:5.8,1.0,wD:1.1,(-8.44,-2.45,;-7.11,-3.22,;-8.44,-3.99,;-5.78,-3.99,;-4.44,-3.22,;-4.44,-1.68,;-5.78,-.91,;-7.11,-1.68,;-3.11,-.91,;-3.11,.63,;-1.77,1.4,;-1.77,2.94,;-.44,3.71,;.89,2.94,;2.3,3.57,;3.33,2.42,;2.56,1.09,;1.05,1.41,;4.86,2.58,;5.49,3.99,;5.77,1.34,;7.3,1.5,;8.07,2.83,;9.58,2.51,;9.74,.98,;8.33,.35,;-3.11,3.71,;-4.44,2.94,;-5.91,3.42,;-6.81,2.17,;-5.91,.92,;-4.44,1.4,)|
C[C@]1(O)CC[C@@H](CC1)Nc1nc(Nc2cc(ns2)C(=O)NC2CCNCC2)nc2ccsc12 |r,wU:5.8,1.0,wD:1.1,(-8.44,-2.45,;-7.11,-3.22,;-8.44,-3.99,;-5.78,-3.99,;-4.44,-3.22,;-4.44,-1.68,;-5.78,-.91,;-7.11,-1.68,;-3.11,-.91,;-3.11,.63,;-1.77,1.4,;-1.77,2.94,;-.44,3.71,;.89,2.94,;2.3,3.57,;3.33,2.42,;2.56,1.09,;1.05,1.41,;4.86,2.58,;5.49,3.99,;5.77,1.34,;7.3,1.5,;8.2,.25,;9.74,.41,;10.36,1.82,;9.46,3.07,;7.92,2.91,;-3.11,3.71,;-4.44,2.94,;-5.91,3.42,;-6.81,2.17,;-5.91,.92,;-4.44,1.4,)|
CN1CCN(CC1)C(=O)c1cc(Nc2nc(N[C@H]3CC[C@](C)(O)CC3)c3sccc3n2)sn1 |r,wU:17.17,20.21,wD:20.22,(8.48,-2.4,;7.58,-1.15,;6.05,-1.32,;5.14,-.07,;5.77,1.34,;7.3,1.5,;8.2,.25,;4.86,2.58,;5.49,3.99,;3.33,2.42,;2.3,3.57,;.89,2.94,;-.44,3.71,;-1.77,2.94,;-1.77,1.4,;-3.11,.63,;-3.11,-.91,;-4.44,-1.68,;-4.44,-3.22,;-5.78,-3.99,;-7.11,-3.22,;-8.44,-2.45,;-8.44,-3.99,;-7.11,-1.68,;-5.78,-.91,;-4.44,1.4,;-5.91,.92,;-6.81,2.17,;-5.91,3.42,;-4.44,2.94,;-3.11,3.71,;1.05,1.41,;2.56,1.09,)|
C[C@]1(O)CC[C@@H](CC1)Nc1nc(Nc2cc(ns2)C(=O)NCCCO)nc2ccsc12 |r,wU:5.8,1.0,wD:1.1,(-8.44,-2.45,;-7.11,-3.22,;-8.44,-3.99,;-5.78,-3.99,;-4.44,-3.22,;-4.44,-1.68,;-5.78,-.91,;-7.11,-1.68,;-3.11,-.91,;-3.11,.63,;-1.77,1.4,;-1.77,2.94,;-.44,3.71,;.89,2.94,;2.3,3.57,;3.33,2.42,;2.56,1.09,;1.05,1.41,;4.86,2.58,;5.49,3.99,;5.77,1.34,;7.3,1.5,;8.44,.47,;8.12,-1.04,;6.66,-1.51,;-3.11,3.71,;-4.44,2.94,;-5.91,3.42,;-6.81,2.17,;-5.91,.92,;-4.44,1.4,)|
COCCNC(=O)c1cc(Nc2nc(N[C@H]3CC[C@](C)(O)CC3)c3sccc3n2)sn1 |r,wU:15.14,18.18,wD:18.19,(6.66,-1.51,;8.12,-1.04,;8.44,.47,;7.3,1.5,;5.77,1.34,;4.86,2.58,;5.49,3.99,;3.33,2.42,;2.3,3.57,;.89,2.94,;-.44,3.71,;-1.77,2.94,;-1.77,1.4,;-3.11,.63,;-3.11,-.91,;-4.44,-1.68,;-4.44,-3.22,;-5.78,-3.99,;-7.11,-3.22,;-8.44,-2.45,;-8.44,-3.99,;-7.11,-1.68,;-5.78,-.91,;-4.44,1.4,;-5.91,.92,;-6.81,2.17,;-5.91,3.42,;-4.44,2.94,;-3.11,3.71,;1.05,1.41,;2.56,1.09,)|
C[C@]1(O)CC[C@@H](CC1)Nc1nc(Nc2cc(ns2)C(=O)NCC2CCNCC2)nc2ccsc12 |r,wU:5.8,1.0,wD:1.1,(-8.44,-2.45,;-7.11,-3.22,;-8.44,-3.99,;-5.78,-3.99,;-4.44,-3.22,;-4.44,-1.68,;-5.78,-.91,;-7.11,-1.68,;-3.11,-.91,;-3.11,.63,;-1.77,1.4,;-1.77,2.94,;-.44,3.71,;.89,2.94,;2.3,3.57,;3.33,2.42,;2.56,1.09,;1.05,1.41,;4.86,2.58,;5.49,3.99,;5.77,1.34,;7.3,1.5,;8.44,.47,;8.12,-1.04,;9.27,-2.07,;10.73,-1.59,;11.05,-.09,;9.91,.94,;-3.11,3.71,;-4.44,2.94,;-5.91,3.42,;-6.81,2.17,;-5.91,.92,;-4.44,1.4,)|
C[C@]1(O)CC[C@@H](CC1)Nc1nc(Nc2cc(ns2)C(=O)NC2CCCNC2)nc2ccsc12 |r,wU:5.8,1.0,wD:1.1,(-8.44,-2.45,;-7.11,-3.22,;-8.44,-3.99,;-5.78,-3.99,;-4.44,-3.22,;-4.44,-1.68,;-5.78,-.91,;-7.11,-1.68,;-3.11,-.91,;-3.11,.63,;-1.77,1.4,;-1.77,2.94,;-.44,3.71,;.89,2.94,;2.3,3.57,;3.33,2.42,;2.56,1.09,;1.05,1.41,;4.86,2.58,;5.49,3.99,;5.77,1.34,;7.3,1.5,;7.92,2.91,;9.46,3.07,;10.36,1.82,;9.74,.41,;8.2,.25,;-3.11,3.71,;-4.44,2.94,;-5.91,3.42,;-6.81,2.17,;-5.91,.92,;-4.44,1.4,)|
C[C@]1(O)CC[C@@H](CC1)Nc1nc(Nc2cc(ns2)C(=O)NC2CCOCC2)nc2ccsc12 |r,wU:5.8,1.0,wD:1.1,(-8.44,-2.45,;-7.11,-3.22,;-8.44,-3.99,;-5.78,-3.99,;-4.44,-3.22,;-4.44,-1.68,;-5.78,-.91,;-7.11,-1.68,;-3.11,-.91,;-3.11,.63,;-1.77,1.4,;-1.77,2.94,;-.44,3.71,;.89,2.94,;2.3,3.57,;3.33,2.42,;2.56,1.09,;1.05,1.41,;4.86,2.58,;5.49,3.99,;5.77,1.34,;7.3,1.5,;8.2,.25,;9.74,.41,;10.36,1.82,;9.46,3.07,;7.92,2.91,;-3.11,3.71,;-4.44,2.94,;-5.91,3.42,;-6.81,2.17,;-5.91,.92,;-4.44,1.4,)|
CN1CCC(CC1)NC(=O)c1cc(Nc2nc(N[C@H]3CC[C@](C)(O)CC3)c3sccc3n2)sn1 |r,wU:18.18,21.22,wD:21.23,(11.89,1.98,;10.36,1.82,;9.74,.41,;8.2,.25,;7.3,1.5,;7.92,2.91,;9.46,3.07,;5.77,1.34,;4.86,2.58,;5.49,3.99,;3.33,2.42,;2.3,3.57,;.89,2.94,;-.44,3.71,;-1.77,2.94,;-1.77,1.4,;-3.11,.63,;-3.11,-.91,;-4.44,-1.68,;-4.44,-3.22,;-5.78,-3.99,;-7.11,-3.22,;-8.44,-2.45,;-8.44,-3.99,;-7.11,-1.68,;-5.78,-.91,;-4.44,1.4,;-5.91,.92,;-6.81,2.17,;-5.91,3.42,;-4.44,2.94,;-3.11,3.71,;1.05,1.41,;2.56,1.09,)|
CC(=O)N1CCC(CC1)NC(=O)c1cc(Nc2nc(N[C@H]3CC[C@](C)(O)CC3)c3sccc3n2)sn1 |r,wU:20.20,23.24,wD:23.25,(12.8,.74,;11.89,1.98,;12.52,3.39,;10.36,1.82,;9.74,.41,;8.2,.25,;7.3,1.5,;7.92,2.91,;9.46,3.07,;5.77,1.34,;4.86,2.58,;5.49,3.99,;3.33,2.42,;2.3,3.57,;.89,2.94,;-.44,3.71,;-1.77,2.94,;-1.77,1.4,;-3.11,.63,;-3.11,-.91,;-4.44,-1.68,;-4.44,-3.22,;-5.78,-3.99,;-7.11,-3.22,;-8.44,-2.45,;-8.44,-3.99,;-7.11,-1.68,;-5.78,-.91,;-4.44,1.4,;-5.91,.92,;-6.81,2.17,;-5.91,3.42,;-4.44,2.94,;-3.11,3.71,;1.05,1.41,;2.56,1.09,)|
C[C@]1(O)CC[C@@H](CC1)Nc1nc(Nc2cc(ns2)C(=O)Nc2ccccc2)nc2ccsc12 |r,wU:5.8,1.0,wD:1.1,(-8.44,-2.45,;-7.11,-3.22,;-8.44,-3.99,;-5.78,-3.99,;-4.44,-3.22,;-4.44,-1.68,;-5.78,-.91,;-7.11,-1.68,;-3.11,-.91,;-3.11,.63,;-1.77,1.4,;-1.77,2.94,;-.44,3.71,;.89,2.94,;2.3,3.57,;3.33,2.42,;2.56,1.09,;1.05,1.41,;4.86,2.58,;5.49,3.99,;5.77,1.34,;7.3,1.5,;8.2,.25,;9.74,.41,;10.36,1.82,;9.46,3.07,;7.92,2.9,;-3.11,3.71,;-4.44,2.94,;-5.91,3.42,;-6.81,2.17,;-5.91,.92,;-4.44,1.4,)|
C[C@]1(O)CC[C@@H](CC1)Nc1nc(Nc2cc(ns2)C(=O)Nc2cccnc2)nc2ccsc12 |r,wU:5.8,1.0,wD:1.1,(-8.44,-2.45,;-7.11,-3.22,;-8.44,-3.99,;-5.78,-3.99,;-4.44,-3.22,;-4.44,-1.68,;-5.78,-.91,;-7.11,-1.68,;-3.11,-.91,;-3.11,.63,;-1.77,1.4,;-1.77,2.94,;-.44,3.71,;.89,2.94,;2.3,3.57,;3.33,2.42,;2.56,1.09,;1.05,1.41,;4.86,2.58,;5.49,3.99,;5.77,1.34,;7.3,1.5,;7.92,2.9,;9.46,3.07,;10.36,1.82,;9.74,.41,;8.2,.25,;-3.11,3.71,;-4.44,2.94,;-5.91,3.42,;-6.81,2.17,;-5.91,.92,;-4.44,1.4,)|
C[C@]1(O)CC[C@@H](CC1)Nc1nc(Nc2cc(ns2)C(=O)Nc2ccncc2)nc2ccsc12 |r,wU:5.8,1.0,wD:1.1,(-8.44,-2.45,;-7.11,-3.22,;-8.44,-3.99,;-5.78,-3.99,;-4.44,-3.22,;-4.44,-1.68,;-5.78,-.91,;-7.11,-1.68,;-3.11,-.91,;-3.11,.63,;-1.77,1.4,;-1.77,2.94,;-.44,3.71,;.89,2.94,;2.3,3.57,;3.33,2.42,;2.56,1.09,;1.05,1.41,;4.86,2.58,;5.49,3.99,;5.77,1.34,;7.3,1.5,;8.2,.25,;9.74,.41,;10.36,1.82,;9.46,3.07,;7.92,2.9,;-3.11,3.71,;-4.44,2.94,;-5.91,3.42,;-6.81,2.17,;-5.91,.92,;-4.44,1.4,)|
CNC1CCN(CC1)C(=O)c1cc(Nc2nc(N[C@H]3CC[C@](C)(O)CC3)c3sccc3n2)sn1 |r,wU:18.18,21.22,wD:21.23,(7.86,-3.81,;8.48,-2.4,;7.58,-1.15,;6.05,-1.32,;5.14,-.07,;5.77,1.34,;7.3,1.5,;8.2,.25,;4.86,2.58,;5.49,3.99,;3.33,2.42,;2.3,3.57,;.89,2.94,;-.44,3.71,;-1.77,2.94,;-1.77,1.4,;-3.11,.63,;-3.11,-.91,;-4.44,-1.68,;-4.44,-3.22,;-5.78,-3.99,;-7.11,-3.22,;-8.44,-2.45,;-8.44,-3.99,;-7.11,-1.68,;-5.78,-.91,;-4.44,1.4,;-5.91,.92,;-6.81,2.17,;-5.91,3.42,;-4.44,2.94,;-3.11,3.71,;1.05,1.41,;2.56,1.09,)|
CN(C)C1CCN(CC1)C(=O)c1cc(Nc2nc(N[C@H]3CC[C@](C)(O)CC3)c3sccc3n2)sn1 |r,wU:19.19,22.23,wD:22.24,(7.86,-3.81,;8.48,-2.4,;10.01,-2.24,;7.58,-1.15,;6.05,-1.32,;5.14,-.07,;5.77,1.34,;7.3,1.5,;8.2,.25,;4.86,2.58,;5.49,3.99,;3.33,2.42,;2.3,3.57,;.89,2.94,;-.44,3.71,;-1.77,2.94,;-1.77,1.4,;-3.11,.63,;-3.11,-.91,;-4.44,-1.68,;-4.44,-3.22,;-5.78,-3.99,;-7.11,-3.22,;-8.44,-2.45,;-8.44,-3.99,;-7.11,-1.68,;-5.78,-.91,;-4.44,1.4,;-5.91,.92,;-6.81,2.17,;-5.91,3.42,;-4.44,2.94,;-3.11,3.71,;1.05,1.41,;2.56,1.09,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(OC3CCOC3)cc2)nc2ccsc12 |r,wU:1.0,wD:4.7,(-.41,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;4.92,-.24,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.93,6.69,;8.93,8.23,;7.59,9,;7.59,10.54,;6.26,11.31,;4.85,10.69,;3.82,11.83,;4.59,13.16,;6.1,12.84,;6.26,8.23,;6.26,6.69,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
CN(C1CCN(C)CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)cc1 |r,wU:21.22,wD:18.18,(4.67,6.39,;3.33,5.62,;2,6.39,;2,7.93,;.67,8.7,;-.67,7.93,;-2,8.7,;-.67,6.39,;.67,5.62,;3.33,4.08,;4.67,3.31,;4.67,1.77,;3.33,1,;3.33,-.54,;2,-1.31,;2,-2.85,;.67,-3.62,;.67,-5.16,;-.67,-5.93,;-2,-5.16,;-3.33,-5.93,;-3.33,-7.47,;-4.67,-8.24,;-2,-8.24,;-.67,-7.47,;-.67,-2.85,;-2.13,-3.33,;-3.04,-2.08,;-2.13,-.83,;-.67,-1.31,;.67,-.54,;2,1.77,;2,3.31,)|
CN1CCC(CC1)C(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)cc1Cl |r,wU:21.22,wD:18.18,(-2,8.47,;-.67,7.7,;.67,8.47,;2,7.7,;2,6.16,;.67,5.39,;-.67,6.16,;3.33,5.39,;4.67,6.16,;3.33,3.85,;2,3.08,;2,1.54,;3.33,.77,;3.33,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;-.67,-6.16,;-2,-5.39,;-3.33,-6.16,;-3.33,-7.7,;-4.67,-8.47,;-2,-8.47,;-.67,-7.7,;-.67,-3.08,;-2.13,-3.56,;-3.04,-2.31,;-2.13,-1.06,;-.67,-1.54,;.67,-.77,;4.67,1.54,;4.67,3.08,;6,3.85,)|
NC(=O)Cc1cccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)c1 |r,wU:17.17,wD:14.13,(4.67,6.16,;6,5.39,;7.34,6.16,;6,3.85,;4.67,3.08,;3.33,3.85,;2,3.08,;2,1.54,;3.33,.77,;3.33,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;-.67,-6.16,;-2,-5.39,;-3.33,-6.16,;-3.33,-7.7,;-4.67,-8.47,;-2,-8.47,;-.67,-7.7,;-.67,-3.08,;-2.13,-3.56,;-3.04,-2.31,;-2.13,-1.06,;-.67,-1.54,;.67,-.77,;4.67,1.54,)|
CN1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)cc1 |r,wU:19.20,wD:16.16,(3.33,10.01,;3.33,8.47,;4.67,7.7,;4.67,6.16,;3.33,5.39,;2,6.16,;2,7.7,;3.33,3.85,;4.67,3.08,;4.67,1.54,;3.33,.77,;3.33,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;-.67,-6.16,;-2,-5.39,;-3.33,-6.16,;-3.33,-7.7,;-4.67,-8.47,;-2,-8.47,;-.67,-7.7,;-.67,-3.08,;-2.13,-3.56,;-3.04,-2.31,;-2.13,-1.06,;-.67,-1.54,;.67,-.77,;2,1.54,;2,3.08,)|
CN1CCN(Cc2cc(Nc3nc(N[C@H]4CC[C@H](O)CC4)c4sccc4n3)sn2)CC1 |r,wU:17.17,wD:14.13,(2.5,10.01,;3.13,8.61,;4.66,8.45,;5.29,7.04,;4.38,5.79,;5.01,4.39,;4.1,3.14,;4.58,1.68,;3.33,.77,;3.33,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;-.67,-6.16,;-2,-5.39,;-3.33,-6.16,;-3.33,-7.7,;-4.67,-8.47,;-2,-8.47,;-.67,-7.7,;-.67,-3.08,;-2.13,-3.56,;-3.04,-2.31,;-2.13,-1.06,;-.67,-1.54,;.67,-.77,;2.09,1.68,;2.56,3.14,;2.85,5.95,;2.23,7.36,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3occc3n2)sn1 |r,wU:12.12,wD:9.8,(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)|
Cc1cc(Nc2nc(N[C@H]3C[C@H](N)C3)c3sccc3n2)sn1 |r,wU:9.8,wD:11.11,(9.3,1.18,;7.77,1.02,;6.74,2.17,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;-.4,-4.57,;-1.89,-4.17,;-3.22,-4.94,;-1.49,-2.68,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;5.5,.01,;7,-.31,)|
Cc1cc(Nc2nc(N[C@@H]3C[C@H](N)C3)c3sccc3n2)sn1 |r,wU:11.11,9.8,(6.26,2.5,;4.73,2.34,;3.7,3.48,;2.29,2.85,;.96,3.62,;-.37,2.85,;-.37,1.31,;-1.71,.54,;-1.71,-1,;-3.04,-1.77,;-4.53,-1.37,;-4.93,-2.85,;-6.26,-3.62,;-3.44,-3.25,;-3.04,1.31,;-4.51,.84,;-5.41,2.08,;-4.51,3.33,;-3.04,2.85,;-1.71,3.62,;2.45,1.32,;3.96,1,)|
Cc1cc(Nc2nc(N[C@@H]3CC[C@H](N)CC3)c3sccc3n2)sn1 |r,wU:9.8,12.12,(6.26,2.5,;4.73,2.34,;3.7,3.48,;2.29,2.85,;.96,3.62,;-.37,2.85,;-.37,1.31,;-1.71,.54,;-1.71,-1,;-3.04,-1.77,;-4.38,-1,;-5.71,-1.77,;-5.71,-3.31,;-7.04,-4.08,;-4.38,-4.08,;-3.04,-3.31,;-3.04,1.31,;-4.51,.84,;-5.41,2.08,;-4.51,3.33,;-3.04,2.85,;-1.71,3.62,;2.45,1.32,;3.96,1,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@H](N)CC3)c3sccc3n2)sn1 |r,wU:9.8,wD:12.12,(6.26,2.5,;4.73,2.34,;3.7,3.48,;2.29,2.85,;.96,3.62,;-.37,2.85,;-.37,1.31,;-1.71,.54,;-1.71,-1,;-3.04,-1.77,;-3.04,-3.31,;-4.38,-4.08,;-5.71,-3.31,;-7.04,-4.08,;-5.71,-1.77,;-4.38,-1,;-3.04,1.31,;-4.51,.84,;-5.41,2.08,;-4.51,3.33,;-3.04,2.85,;-1.71,3.62,;2.45,1.32,;3.96,1,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@@H](N)C3)c3sccc3n2)sn1 |r|
Cc1cc(Nc2nc(NC3CC[C@H](N)CC3)c3sccc3n2)sn1 |r,wD:12.12,(6.26,2.5,;4.73,2.34,;3.7,3.48,;2.29,2.85,;.96,3.62,;-.37,2.85,;-.37,1.31,;-1.71,.54,;-1.71,-1,;-3.04,-1.77,;-3.04,-3.31,;-4.38,-4.08,;-5.71,-3.31,;-7.04,-4.08,;-5.71,-1.77,;-4.38,-1,;-3.04,1.31,;-4.51,.84,;-5.41,2.08,;-4.51,3.33,;-3.04,2.85,;-1.71,3.62,;2.45,1.32,;3.96,1,)|
CC1C=C(Nc2nc(N[C@@H]3CC[C@H](N)CC3)c3sccc3n2)N=N1 |r,wU:9.8,12.12,c:25,t:2,(6.26,2.5,;4.73,2.34,;3.7,3.48,;2.29,2.85,;.96,3.62,;-.37,2.85,;-.37,1.31,;-1.71,.54,;-1.71,-1,;-3.04,-1.77,;-4.38,-1,;-5.71,-1.77,;-5.71,-3.31,;-7.04,-4.08,;-4.38,-4.08,;-3.04,-3.31,;-3.04,1.31,;-4.51,.84,;-5.41,2.08,;-4.51,3.33,;-3.04,2.85,;-1.71,3.62,;2.45,1.32,;3.96,1,)|
Cn1ccc(Nc2nc(N[C@H]3CC[C@H](N)C3)c3sccc3n2)n1 |r|
CN[C@H]1C[C@@H](C1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:4.6,wD:2.1,(-3.22,-6.48,;-3.22,-4.94,;-1.89,-4.17,;-.4,-4.57,;,-3.08,;-1.49,-2.68,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;4,2.31,;5.33,1.54,;6.74,2.17,;7.77,1.02,;9.3,1.18,;7,-.31,;5.5,.01,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;)|
CN[C@H]1C[C@H](C1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:2.1,4.6,(-6.26,-4.39,;-6.26,-2.85,;-4.93,-2.08,;-4.53,-.6,;-3.04,-1,;-3.44,-2.48,;-1.71,-.23,;-1.71,1.31,;-.37,2.08,;-.37,3.62,;.96,4.39,;2.29,3.62,;3.7,4.25,;4.73,3.11,;6.26,3.27,;3.96,1.77,;2.45,2.09,;-1.71,4.39,;-3.04,3.62,;-4.51,4.1,;-5.41,2.85,;-4.51,1.61,;-3.04,2.08,)|
CN[C@H]1CC[C@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:5.8,2.1,(-8.38,-2.54,;-7.04,-3.31,;-5.71,-2.54,;-5.71,-1,;-4.38,-.23,;-3.04,-1,;-3.04,-2.54,;-4.38,-3.31,;-1.71,-.23,;-1.71,1.31,;-.37,2.08,;-.37,3.62,;.96,4.39,;2.29,3.62,;3.7,4.25,;4.73,3.11,;6.26,3.27,;3.96,1.77,;2.45,2.09,;-1.71,4.39,;-3.04,3.62,;-4.51,4.1,;-5.41,2.85,;-4.51,1.61,;-3.04,2.08,)|
CN[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:5.8,wD:2.1,(-8.38,-2.54,;-7.04,-3.31,;-5.71,-2.54,;-4.38,-3.31,;-3.04,-2.54,;-3.04,-1,;-4.38,-.23,;-5.71,-1,;-1.71,-.23,;-1.71,1.31,;-.37,2.08,;-.37,3.62,;.96,4.39,;2.29,3.62,;3.7,4.25,;4.73,3.11,;6.26,3.27,;3.96,1.77,;2.45,2.09,;-1.71,4.39,;-3.04,3.62,;-4.51,4.1,;-5.41,2.85,;-4.51,1.61,;-3.04,2.08,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:6.9,wD:3.2,(-4,-6.93,;-4,-5.39,;-5.33,-4.62,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;4,2.31,;5.33,1.54,;6.74,2.17,;7.77,1.02,;9.3,1.18,;7,-.31,;5.5,.01,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;)|
CN(C)[C@@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:3.2,6.9,(-5.99,-4.62,;-5.99,-3.08,;-7.32,-2.31,;-4.65,-2.31,;-3.32,-3.08,;-1.98,-2.31,;-1.98,-.77,;-3.32,,;-4.65,-.77,;-.65,,;-.65,1.54,;.68,2.31,;.68,3.85,;2.02,4.62,;3.35,3.85,;4.76,4.48,;5.79,3.33,;7.32,3.49,;5.02,2,;3.51,2.32,;-.65,4.62,;-1.98,3.85,;-3.45,4.33,;-4.35,3.08,;-3.45,1.83,;-1.98,2.31,)|
CCN(CC)[C@@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:5.4,8.11,(-8.65,-3.08,;-7.32,-2.31,;-5.99,-3.08,;-5.99,-4.62,;-7.32,-5.39,;-4.65,-2.31,;-3.32,-3.08,;-1.98,-2.31,;-1.98,-.77,;-3.32,,;-4.65,-.77,;-.65,,;-.65,1.54,;.68,2.31,;.68,3.85,;2.02,4.62,;3.35,3.85,;4.76,4.48,;5.79,3.33,;7.32,3.49,;5.02,2,;3.51,2.32,;-.65,4.62,;-1.98,3.85,;-3.45,4.33,;-4.35,3.08,;-3.45,1.83,;-1.98,2.31,)|
CCN(CC)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:8.11,wD:5.4,(-8.65,-3.08,;-7.32,-2.31,;-5.99,-3.08,;-5.99,-4.62,;-7.32,-5.39,;-4.65,-2.31,;-3.32,-3.08,;-1.98,-2.31,;-1.98,-.77,;-3.32,,;-4.65,-.77,;-.65,,;-.65,1.54,;.68,2.31,;.68,3.85,;2.02,4.62,;3.35,3.85,;4.76,4.48,;5.79,3.33,;7.32,3.49,;5.02,2,;3.51,2.32,;-.65,4.62,;-1.98,3.85,;-3.45,4.33,;-4.35,3.08,;-3.45,1.83,;-1.98,2.31,)|
CN(C)[C@@H]1CC[C@@H](CC1)Oc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:3.2,6.9,(-5.99,-4.62,;-5.99,-3.08,;-7.32,-2.31,;-4.65,-2.31,;-3.32,-3.08,;-1.98,-2.31,;-1.98,-.77,;-3.32,,;-4.65,-.77,;-.65,,;-.65,1.54,;.68,2.31,;.68,3.85,;2.02,4.62,;3.35,3.85,;4.76,4.48,;5.79,3.33,;7.32,3.49,;5.02,2,;3.51,2.32,;-.65,4.62,;-1.98,3.85,;-3.45,4.33,;-4.35,3.08,;-3.45,1.83,;-1.98,2.31,)|
CN(C)[C@H]1CC[C@@H](CC1)Oc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:6.9,wD:3.2,(-5.99,-4.62,;-5.99,-3.08,;-7.32,-2.31,;-4.65,-2.31,;-3.32,-3.08,;-1.98,-2.31,;-1.98,-.77,;-3.32,,;-4.65,-.77,;-.65,,;-.65,1.54,;.68,2.31,;.68,3.85,;2.02,4.62,;3.35,3.85,;4.76,4.48,;5.79,3.33,;7.32,3.49,;5.02,2,;3.51,2.32,;-.65,4.62,;-1.98,3.85,;-3.45,4.33,;-4.35,3.08,;-3.45,1.83,;-1.98,2.31,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@@H](CC3)N(CCO)CCO)c3sccc3n2)sn1 |r,wU:9.8,wD:12.15,(7.32,3.49,;5.79,3.33,;4.76,4.48,;3.35,3.85,;2.02,4.62,;.68,3.85,;.68,2.31,;-.65,1.54,;-.65,,;-1.98,-.77,;-1.98,-2.31,;-3.32,-3.08,;-4.65,-2.31,;-4.65,-.77,;-3.32,,;-5.99,-3.08,;-7.32,-2.31,;-8.65,-3.08,;-9.99,-2.31,;-5.99,-4.62,;-7.32,-5.39,;-8.65,-4.62,;-1.98,2.31,;-3.45,1.83,;-4.35,3.08,;-3.45,4.33,;-1.98,3.85,;-.65,4.62,;3.51,2.32,;5.02,2,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@@H](CC3)N3CCCCC3)c3sccc3n2)sn1 |r,wU:9.8,wD:12.15,(9.3,1.18,;7.77,1.02,;6.74,2.17,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;-4,-5.39,;-4,-6.93,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-5.33,-4.62,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;5.5,.01,;7,-.31,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@@H](CC3)N3CCCC3)c3sccc3n2)sn1 |r,wU:9.8,wD:12.15,(7.99,3.88,;6.45,3.72,;5.42,4.86,;4.02,4.23,;2.68,5,;1.35,4.23,;1.35,2.69,;.02,1.92,;.02,.38,;-1.32,-.38,;-1.32,-1.92,;-2.65,-2.69,;-3.98,-1.92,;-3.98,-.38,;-2.65,.38,;-5.32,-2.69,;-6.73,-2.07,;-7.76,-3.21,;-6.99,-4.55,;-5.48,-4.23,;-1.32,2.69,;-2.78,2.22,;-3.69,3.46,;-2.78,4.71,;-1.32,4.23,;.02,5,;4.18,2.7,;5.68,2.38,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c3sccc3n2)sn1 |r,wU:9.8,wD:12.15,(7.99,3.88,;6.45,3.72,;5.42,4.86,;4.02,4.23,;2.68,5,;1.35,4.23,;1.35,2.69,;.02,1.92,;.02,.38,;-1.32,-.38,;-1.32,-1.92,;-2.65,-2.69,;-3.98,-1.92,;-3.98,-.38,;-2.65,.38,;-5.32,-2.69,;-5.32,-4.23,;-6.65,-5,;-7.99,-4.23,;-7.99,-2.69,;-6.65,-1.92,;-1.32,2.69,;-2.78,2.22,;-3.69,3.46,;-2.78,4.71,;-1.32,4.23,;.02,5,;4.18,2.7,;5.68,2.38,)|
Cc1cc(Nc2nc(O[C@H]3CC[C@@H](CC3)N3CCCC3)c3sccc3n2)sn1 |r,wU:9.8,wD:12.15,(7.99,3.88,;6.45,3.72,;5.42,4.86,;4.02,4.23,;2.68,5,;1.35,4.23,;1.35,2.69,;.02,1.92,;.02,.38,;-1.32,-.38,;-1.32,-1.92,;-2.65,-2.69,;-3.98,-1.92,;-3.98,-.38,;-2.65,.38,;-5.32,-2.69,;-6.73,-2.07,;-7.76,-3.21,;-6.99,-4.55,;-5.48,-4.23,;-1.32,2.69,;-2.78,2.22,;-3.69,3.46,;-2.78,4.71,;-1.32,4.23,;.02,5,;4.18,2.7,;5.68,2.38,)|
Cc1cc(Nc2nc(O[C@H]3CC[C@@H](CC3)N3CCCCC3)c3sccc3n2)sn1 |r,wU:9.8,wD:12.15,(7.99,3.88,;6.45,3.72,;5.42,4.86,;4.02,4.23,;2.68,5,;1.35,4.23,;1.35,2.69,;.02,1.92,;.02,.38,;-1.32,-.38,;-1.32,-1.92,;-2.65,-2.69,;-3.98,-1.92,;-3.98,-.38,;-2.65,.38,;-5.32,-2.69,;-5.32,-4.23,;-6.65,-5,;-7.99,-4.23,;-7.99,-2.69,;-6.65,-1.92,;-1.32,2.69,;-2.78,2.22,;-3.69,3.46,;-2.78,4.71,;-1.32,4.23,;.02,5,;4.18,2.7,;5.68,2.38,)|
Cc1cc(Nc2nc(O[C@H]3CC[C@@H](CC3)N3CCOCC3)c3sccc3n2)sn1 |r,wU:9.8,wD:12.15,(7.99,3.88,;6.45,3.72,;5.42,4.86,;4.02,4.23,;2.68,5,;1.35,4.23,;1.35,2.69,;.02,1.92,;.02,.38,;-1.32,-.38,;-1.32,-1.92,;-2.65,-2.69,;-3.98,-1.92,;-3.98,-.38,;-2.65,.38,;-5.32,-2.69,;-5.32,-4.23,;-6.65,-5,;-7.99,-4.23,;-7.99,-2.69,;-6.65,-1.92,;-1.32,2.69,;-2.78,2.22,;-3.69,3.46,;-2.78,4.71,;-1.32,4.23,;.02,5,;4.18,2.7,;5.68,2.38,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3n(C)ccc3n2)sn1 |r,wU:12.12,wD:9.8,(5.92,5.39,;6.82,4.15,;6.35,2.68,;7.59,1.78,;7.59,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;4.92,-4.38,;6.26,-5.15,;6.26,-6.69,;7.59,-7.46,;8.93,-6.69,;10.26,-7.46,;8.93,-5.15,;7.59,-4.38,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;8.84,2.68,;8.36,4.15,)|
COCCCn1ccc2nc(Nc3cc(C)ns3)nc(N[C@H]3CC[C@@H](CC3)N3CCCCC3)c12 |r,wU:24.28,wD:21.21,(-2.31,-7.58,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;8.93,-.53,;10.33,.09,;11.36,-1.05,;12.89,-.89,;10.59,-2.38,;9.09,-2.06,;6.26,-2.07,;4.92,-2.84,;4.92,-4.38,;6.26,-5.15,;6.26,-6.69,;7.59,-7.46,;8.93,-6.69,;8.93,-5.15,;7.59,-4.38,;10.26,-7.46,;11.59,-6.69,;12.93,-7.46,;12.93,-9,;11.59,-9.77,;10.26,-9,;3.59,-2.07,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@](C)(O)CC3)c3n(Cc4cccnc4)ccc3n2)sn1 |r,wU:9.8,12.12,wD:12.13,(7.59,3.88,;6.06,3.72,;5.03,4.86,;3.62,4.23,;2.29,5,;.95,4.23,;.95,2.69,;-.38,1.92,;-.38,.38,;.95,-.38,;2.29,.38,;3.62,-.38,;3.62,-1.92,;4.95,-2.69,;4.95,-1.16,;2.29,-2.69,;.95,-1.92,;-1.72,2.69,;-3.18,2.22,;-3.66,.75,;-5.16,.43,;-6.19,1.58,;-7.7,1.26,;-8.18,-.21,;-7.14,-1.35,;-5.64,-1.03,;-4.09,3.46,;-3.18,4.71,;-1.72,4.23,;-.38,5,;3.78,2.7,;5.29,2.38,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@@H](CC3)N3CCCCC3)c3n(CCCC#N)ccc3n2)sn1 |r,wU:9.8,wD:12.15,(7.59,3.88,;6.06,3.72,;5.03,4.86,;3.62,4.23,;2.29,5,;.95,4.23,;.95,2.69,;-.38,1.92,;-.38,.38,;.95,-.38,;2.29,.38,;3.62,-.38,;3.62,-1.92,;2.29,-2.69,;.95,-1.92,;4.95,-2.69,;6.29,-1.92,;7.62,-2.69,;7.62,-4.23,;6.29,-5,;4.95,-4.23,;-1.72,2.69,;-3.18,2.22,;-3.66,.75,;-5.16,.43,;-5.64,-1.03,;-7.14,-1.35,;-7.62,-2.82,;-4.09,3.46,;-3.18,4.71,;-1.72,4.23,;-.38,5,;3.78,2.7,;5.29,2.38,)|
Cc1cc(Nc2nc(N[C@H]3CC[C@@H](CC3)N3CCCCC3)c3n(CCC(N)=C)ccc3n2)sn1 |r,wU:9.8,wD:12.15,(7.59,3.88,;6.06,3.72,;5.03,4.86,;3.62,4.23,;2.29,5,;.95,4.23,;.95,2.69,;-.38,1.92,;-.38,.38,;.95,-.38,;2.29,.38,;3.62,-.38,;3.62,-1.92,;2.29,-2.69,;.95,-1.92,;4.95,-2.69,;6.29,-1.92,;7.62,-2.69,;7.62,-4.23,;6.29,-5,;4.95,-4.23,;-1.72,2.69,;-3.18,2.22,;-3.66,.75,;-5.16,.43,;-5.64,-1.03,;-7.14,-1.35,;-4.61,-2.17,;-4.09,3.46,;-3.18,4.71,;-1.72,4.23,;-.38,5,;3.78,2.7,;5.29,2.38,)|
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Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CCOCCOCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)CC1
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CCOCCOCCOCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)CC1
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CC2C(=O)[C@@H](NC(=O)COCCOCCOCCN2CCN(CC2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cn2)C(C)(C)C)cc1 |r|
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Fc1ccc2n([C@@H]3CC[C@H](COCCOCCOCCOCCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 |r,wU:9.9,6.5,(-20.57,4.78,;-19.11,4.3,;-17.96,5.33,;-16.5,4.85,;-16.18,3.35,;-14.84,2.58,;-13.44,3.2,;-12.19,2.3,;-10.78,2.93,;-10.62,4.46,;-9.22,5.08,;-7.97,4.18,;-6.56,4.8,;-5.32,3.9,;-3.91,4.53,;-2.67,3.62,;-1.26,4.25,;-.01,3.34,;1.39,3.97,;2.64,3.06,;4.05,3.69,;5.29,2.78,;6.7,3.41,;7.95,2.51,;9.36,3.15,;9.52,4.68,;10.92,5.3,;12.17,4.4,;13.68,4.72,;14.3,6.13,;14.45,3.38,;15.98,3.22,;16.88,4.47,;18.41,4.31,;19.04,2.9,;20.57,2.74,;18.13,1.66,;16.6,1.82,;15.7,.57,;13.41,2.24,;13.74,.73,;12.01,2.87,;10.6,2.24,;-11.87,5.36,;-13.28,4.74,;-15.16,1.07,;-14.13,-.07,;-14.61,-1.54,;-16.12,-1.86,;-13.58,-2.68,;-14.06,-4.15,;-13.02,-5.29,;-11.52,-4.97,;-11.04,-3.51,;-12.07,-2.36,;-9.54,-3.19,;-8.51,-4.33,;-9.06,-1.72,;-8.03,-2.87,;-16.7,.91,;-17.32,2.32,;-18.79,2.79,)|
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CN(CCOc1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)c1cccc(c1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(F)ccc12
CN(CCOCCOc1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)c1cccc(c1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(F)ccc12
CN(CCOCCOCCOCCOc1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)c1cccc(c1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(F)ccc12
FC(F)(F)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCN(CCOCCOCCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc2n1-c1ccccc1
COc1cccc(c1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CCOCCOCCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc12
FC(F)(F)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCN(CCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc2n1-c1ccccc1
COc1cccc(c1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc12
COc1cccc(c1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CCOCCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc12
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCOCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCOCCOCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCOCCOc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCOCCOCCOc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCOCCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC2CCN(CCOc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)CC2)CC1
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCOCCOCCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
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CC(C)Nc1cc(ncc1-c1nnc(CCNC(=O)OC(C)(C)C)s1)-c1ccc2cc(cnn12)C#N
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CC(=O)NC1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC1(C)COC1)-c1ccc2cc(cnn12)C#N |r,wU:7.10,(-11.84,.06,;-10.3,.06,;-9.53,-1.27,;-9.53,1.39,;-7.99,1.39,;-7.22,.06,;-5.68,.06,;-4.91,1.39,;-5.68,2.73,;-7.22,2.73,;-3.37,1.39,;-2.46,2.64,;-1,2.16,;-1,.62,;-2.46,.15,;.33,-.15,;.33,-1.69,;1.67,-2.46,;3,-1.69,;3,-.15,;1.67,.62,;1.67,2.16,;3,2.93,;3,4.47,;3.4,1.45,;4.89,1.84,;4.49,3.33,;4.34,-2.46,;4.34,-4,;5.8,-4.47,;6.71,-3.23,;8.24,-3.07,;8.86,-1.66,;7.96,-.41,;6.43,-.57,;5.8,-1.98,;10.35,-1.26,;11.84,-.86,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCC2(COC2)CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(CO)s1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCC(CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)-c1ccc(N)cc1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CCN(CC1)C(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)NCCCN1CCCCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)NCC(F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
CNC(=O)c1nnc(s1)-c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(NC(C)=O)s1)-c1ccc2cc(cnn12)C#N
CC(=O)NC1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:7.10,(-11.52,-1.32,;-10.03,-.92,;-8.95,-2.01,;-9.64,.57,;-8.15,.97,;-7.06,-.12,;-5.57,.28,;-5.17,1.76,;-6.26,2.85,;-7.75,2.45,;-3.69,2.16,;-2.78,3.41,;-1.32,2.93,;-1.32,1.39,;-2.78,.92,;.02,.62,;.02,-.92,;1.35,-1.69,;2.69,-.92,;2.69,.62,;1.35,1.39,;1.35,2.93,;2.69,3.7,;4.02,2.93,;5.35,2.16,;4.02,-1.69,;4.02,-3.23,;5.48,-3.7,;6.39,-2.46,;7.92,-2.3,;8.55,-.89,;7.64,.36,;6.11,.2,;5.48,-1.21,;10.03,-.49,;11.52,-.09,)|
CC(=O)NC1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |r,wU:7.10,(-11.52,-2.06,;-10.03,-1.66,;-8.95,-2.75,;-9.64,-.18,;-8.15,.22,;-7.06,-.87,;-5.57,-.47,;-5.17,1.02,;-6.26,2.11,;-7.75,1.71,;-3.69,1.42,;-2.78,2.67,;-1.32,2.19,;-1.32,.65,;-2.78,.17,;.02,-.12,;.02,-1.66,;1.35,-2.43,;2.69,-1.66,;2.69,-.12,;1.35,.65,;1.35,2.19,;2.69,2.96,;4.17,2.56,;4.57,4.05,;3.08,4.45,;4.02,-2.43,;4.02,-3.97,;5.48,-4.45,;6.39,-3.2,;7.92,-3.04,;8.55,-1.63,;7.64,-.39,;6.11,-.55,;5.48,-1.95,;10.03,-1.23,;11.52,-.84,)|
CNc1cc(ncc1-c1nnc(s1)[C@H]1CCC(CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:13.14,(3.03,3.7,;1.7,2.93,;1.7,1.39,;3.03,.62,;3.03,-.92,;1.7,-1.69,;.36,-.92,;.36,.62,;-.97,1.39,;-.97,2.93,;-2.44,3.41,;-3.34,2.16,;-2.44,.92,;-4.83,1.76,;-5.23,.28,;-6.71,-.12,;-7.8,.97,;-7.4,2.45,;-5.92,2.85,;-9.29,.57,;-10.38,1.66,;-11.87,1.26,;-9.98,3.15,;4.36,-1.69,;4.36,-3.23,;5.83,-3.7,;6.73,-2.46,;8.27,-2.3,;8.89,-.89,;7.99,.36,;6.46,.2,;5.83,-1.21,;10.38,-.49,;11.87,-.09,)|
COC(=O)NC[C@H]1CC(C1)Nc1cc(ncc1-c1nnc(s1)[C@H]1CCC(CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,6.5,(11.58,3.86,;10.25,3.09,;8.92,3.86,;8.92,5.4,;7.58,3.09,;6.25,3.86,;4.92,3.09,;4.52,1.6,;3.03,2,;3.43,3.49,;1.7,1.23,;1.7,-.31,;3.03,-1.08,;3.03,-2.62,;1.7,-3.39,;.36,-2.62,;.36,-1.08,;-.97,-.31,;-.97,1.23,;-2.44,1.71,;-3.34,.46,;-2.44,-.78,;-4.83,.06,;-5.23,-1.42,;-6.71,-1.82,;-7.8,-.73,;-7.4,.76,;-5.92,1.15,;-9.29,-1.13,;-10.38,-.04,;-11.87,-.44,;-9.98,1.45,;4.36,-3.39,;4.36,-4.93,;5.83,-5.4,;6.73,-4.16,;8.27,-4,;8.89,-2.59,;7.99,-1.34,;6.46,-1.5,;5.83,-2.91,;10.38,-2.19,;11.87,-1.79,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:15.16,wD:18.23,(2.39,-7.95,;2.39,-9.49,;3.73,-10.26,;1.06,-10.26,;1.06,-11.8,;2.39,-12.57,;2.39,-14.11,;1.06,-14.88,;-.27,-14.11,;-.27,-12.57,;-1.61,-11.8,;-1.77,-10.27,;-3.27,-9.95,;-4.04,-11.28,;-3.01,-12.43,;-5.53,-11.68,;-5.93,-13.17,;-7.42,-13.57,;-8.51,-12.48,;-8.11,-10.99,;-6.62,-10.59,;-9.99,-12.88,;-11.08,-11.79,;-10.68,-10.3,;-12.57,-12.19,;3.73,-14.88,;3.89,-16.41,;5.39,-16.73,;6.17,-15.4,;7.67,-15.08,;8.15,-13.61,;7.12,-12.47,;5.61,-12.79,;5.13,-14.25,;9.65,-13.29,;11.16,-12.97,)|
CC(C)Nc1cc(ncc1-c1nnc(C)s1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(CCN)s1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(NC[C@@H](F)C(C)(C)O)s1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)-n1cccc1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nncs1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(CCC(C)(C)O)s1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C1CCOCC1)-c1ccc2cc(cnn12)C#N
C[C@@H](Nc1cc(ncc1-c1cn(C[C@@H](F)C(C)(C)O)nn1)-c1ccc2cc(cnn12)C#N)C#N |r|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1-c1cn(nn1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:6.5,wD:8.10,(9.92,-8.18,;8.59,-8.95,;7.25,-8.18,;7.25,-6.64,;5.92,-8.95,;4.58,-8.18,;3.25,-8.95,;2.85,-10.44,;1.36,-10.04,;1.76,-8.55,;.03,-10.81,;.03,-12.35,;1.36,-13.12,;1.36,-14.66,;.03,-15.43,;-1.3,-14.66,;-1.3,-13.12,;-2.64,-12.35,;-4.04,-12.98,;-5.07,-11.83,;-4.3,-10.5,;-2.8,-10.82,;-6.61,-11.99,;-7.19,-13.42,;-7.53,-10.76,;2.74,-15.36,;2.9,-16.89,;4.4,-17.21,;5.17,-15.88,;6.68,-15.56,;7.16,-14.09,;6.13,-12.95,;4.62,-13.27,;4.14,-14.73,;8.66,-13.77,;10.15,-13.37,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1-c1nnn(C[C@@H](F)C(C)(C)O)c1F)-c1ccc2cc(cnn12)C#N |r,wU:6.5,22.24,wD:8.10,(10.82,-17.9,;9.49,-18.67,;8.15,-17.9,;8.15,-16.36,;6.82,-18.67,;5.49,-17.9,;4.15,-18.67,;3.75,-20.16,;2.27,-19.76,;2.67,-18.27,;.93,-20.53,;.93,-22.07,;2.27,-22.84,;2.27,-24.38,;.93,-25.15,;-.4,-24.38,;-.4,-22.84,;-1.73,-22.07,;-1.9,-20.54,;-3.4,-20.22,;-4.17,-21.55,;-5.7,-21.71,;-6.29,-23.14,;-5.52,-24.47,;-7.83,-23.14,;-8.6,-21.8,;-8.6,-24.47,;-9.37,-23.14,;-3.14,-22.7,;-3.46,-24.2,;3.64,-25.08,;3.8,-26.61,;5.31,-26.93,;6.08,-25.6,;7.58,-25.28,;8.06,-23.81,;7.03,-22.67,;5.52,-22.99,;5.05,-24.45,;9.56,-23.49,;11.05,-23.09,)|
CC(C)(O)[C@H](F)Cn1cc(nn1)-c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1cnn(c1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:22.27,(-8.96,-59.45,;-8.04,-60.68,;-8.64,-62.1,;-9.53,-61.08,;-6.51,-60.5,;-5.58,-61.73,;-5.9,-59.08,;-4.37,-58.92,;-3.34,-60.07,;-1.93,-59.44,;-2.1,-57.91,;-3.6,-57.59,;-.6,-60.21,;-.6,-61.75,;.73,-62.52,;2.07,-61.75,;2.07,-60.21,;.73,-59.44,;.73,-57.9,;2.07,-57.13,;2.07,-55.59,;3.4,-54.82,;4.73,-55.59,;4.73,-57.13,;3.4,-57.9,;6.07,-54.82,;7.47,-55.45,;8.51,-54.3,;7.73,-52.97,;6.23,-53.29,;8.36,-51.56,;9.89,-51.4,;7.46,-50.31,;3.44,-62.45,;3.6,-63.98,;5.11,-64.3,;5.88,-62.97,;7.38,-62.65,;7.86,-61.18,;6.83,-60.04,;5.32,-60.36,;4.85,-61.82,;9.36,-60.86,;10.85,-60.46,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1-c1cn(nn1)[C@H]1CC[C@@H](CC1)NC(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:25.31,6.5,wD:22.24,8.10,(14.73,-11.09,;13.4,-11.86,;12.06,-11.09,;12.06,-9.55,;10.73,-11.86,;9.4,-11.09,;8.06,-11.86,;7.66,-13.35,;6.18,-12.95,;6.57,-11.46,;4.84,-13.72,;4.84,-15.26,;6.18,-16.03,;6.18,-17.57,;4.84,-18.34,;3.51,-17.57,;3.51,-16.03,;2.17,-15.26,;.77,-15.88,;-.26,-14.74,;.51,-13.41,;2.01,-13.73,;-1.79,-14.9,;-2.72,-13.67,;-4.25,-13.85,;-4.85,-15.27,;-3.93,-16.5,;-2.4,-16.32,;-6.48,-15.46,;-7.41,-14.23,;-6.8,-12.82,;-8.94,-14.42,;-9.86,-13.18,;-11.39,-13.37,;-11.99,-14.78,;-11.07,-16.02,;-9.54,-15.83,;7.55,-18.27,;7.71,-19.8,;9.22,-20.12,;9.99,-18.79,;11.49,-18.47,;11.97,-17,;10.94,-15.86,;9.43,-16.18,;8.95,-17.64,;13.47,-16.68,;14.96,-16.28,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1-c1cn(nn1)[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:25.31,6.5,wD:22.24,8.10,(14.22,-13.42,;12.89,-14.19,;11.55,-13.42,;11.55,-11.88,;10.22,-14.19,;8.89,-13.42,;7.55,-14.19,;7.15,-15.68,;5.67,-15.28,;6.06,-13.79,;4.33,-16.05,;4.33,-17.59,;5.67,-18.36,;5.67,-19.9,;4.33,-20.67,;3,-19.9,;3,-18.36,;1.67,-17.59,;.26,-18.22,;-.77,-17.07,;-0,-15.74,;1.5,-16.06,;-2.3,-17.23,;-3.23,-16,;-4.76,-16.18,;-5.36,-17.6,;-4.44,-18.83,;-2.91,-18.65,;-6.99,-17.8,;-7.92,-16.56,;-7.31,-15.15,;-9.45,-16.75,;-10.86,-16.14,;-10.68,-17.67,;7.04,-20.6,;7.2,-22.13,;8.71,-22.45,;9.48,-21.12,;10.98,-20.8,;11.46,-19.33,;10.43,-18.19,;8.92,-18.51,;8.45,-19.97,;12.96,-19.01,;14.45,-18.61,)|
CC(C)(O)[C@H](F)Cn1cc(nn1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |r|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1-c1cn(C)nn1)-c1ccc2cc(cnn12)C#N |r,wU:6.5,wD:8.10,(9.92,-3.27,;8.59,-4.04,;7.25,-3.27,;7.25,-1.73,;5.92,-4.04,;4.58,-3.27,;3.25,-4.04,;2.85,-5.53,;1.36,-5.13,;1.76,-3.64,;.03,-5.9,;.03,-7.44,;1.36,-8.21,;1.36,-9.75,;.03,-10.52,;-1.3,-9.75,;-1.3,-8.21,;-2.64,-7.44,;-4.04,-8.06,;-5.07,-6.92,;-6.61,-7.08,;-4.3,-5.59,;-2.8,-5.91,;2.74,-10.45,;2.9,-11.98,;4.4,-12.3,;5.17,-10.96,;6.68,-10.64,;7.16,-9.18,;6.13,-8.03,;4.62,-8.35,;4.14,-9.82,;8.66,-8.86,;10.15,-8.46,)|
CC(C)(O)[C@H](F)Cn1cc(nn1)-c1cnc(cc1NC12CCC(CC1)(CC2)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)Cn1cc(nn1)-c1cnc(cc1NC12CCC(CC1)(CC2)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r|
N[C@@H](C1CC(CO)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |wU:1.0,(7.59,9,;8.93,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;13.48,10.86,;13.48,12.4,;11.75,8.6,;8.93,6.69,;10.26,5.92,;10.26,4.38,;8.93,3.61,;7.59,4.38,;7.59,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;.7,8.48,;2.2,8.16,;3.23,9.31,;2.76,10.77,;2.68,6.7,;3.59,3.61,;4.92,4.38,)|
N[C@H](C1CC(CO)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |wD:1.0,(7.59,9,;8.93,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;13.48,10.86,;13.48,12.4,;11.75,8.6,;8.93,6.69,;10.26,5.92,;10.26,4.38,;8.93,3.61,;7.59,4.38,;7.59,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;.7,8.48,;2.2,8.16,;3.23,9.31,;2.76,10.77,;2.68,6.7,;3.59,3.61,;4.92,4.38,)|
N[C@@H]([C@@H]1C[C@H](O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |wU:2.6,4.4,wD:1.0,(11.59,2.07,;11.59,3.61,;12.93,4.38,;14.41,3.98,;14.81,5.47,;16.15,6.24,;13.32,5.87,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;.14,5.87,;3.59,3.61,;4.92,4.38,)|
N[C@H]([C@@H]1C[C@H](O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |wU:1.0,2.6,4.4,(11.59,2.07,;11.59,3.61,;12.93,4.38,;14.41,3.98,;14.81,5.47,;16.15,6.24,;13.32,5.87,;10.26,4.38,;10.26,5.92,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;.14,5.87,;3.59,3.61,;4.92,4.38,)|
N[C@@H]([C@H]1C[C@H](O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |wU:4.4,wD:1.0,2.6,(11.59,2.07,;11.59,3.61,;12.93,4.38,;14.41,3.98,;14.81,5.47,;16.15,6.24,;13.32,5.87,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;.14,5.87,;3.59,3.61,;4.92,4.38,)|
N[C@H]([C@H]1C[C@H](O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |wU:1.0,4.4,wD:2.6,(11.59,2.07,;11.59,3.61,;12.93,4.38,;14.41,3.98,;14.81,5.47,;16.15,6.24,;13.32,5.87,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;.14,5.87,;3.59,3.61,;4.92,4.38,)|
NC(C1CC(O)C1)c1cccc(n1)-c1ccc2cnn(-c3nccc(CO)n3)c2c1 |(11.59,2.07,;11.59,3.61,;12.93,4.38,;13.32,5.87,;14.81,5.47,;16.15,6.24,;14.41,3.98,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;.7,8.48,;2.2,8.16,;3.23,9.31,;2.76,10.77,;2.68,6.7,;3.59,3.61,;4.92,4.38,)|
N[C@@H]([C@@H]1C[C@H](O)C1)c1cccc(n1)-c1ccc2cnn(-c3cncc(CO)n3)c2c1 |wU:2.6,4.4,wD:1.0,(11.59,2.07,;11.59,3.61,;12.93,4.38,;14.41,3.98,;14.81,5.47,;16.15,6.24,;13.32,5.87,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;.14,5.87,;3.59,3.61,;4.92,4.38,)|
N[C@@H](C1CC(O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1 |wD:1.0,(11.59,2.07,;11.59,3.61,;12.93,4.38,;13.32,5.87,;14.81,5.47,;16.15,6.24,;14.41,3.98,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;.14,5.87,;-1.84,7.66,;-3.35,7.98,;-1.52,9.16,;-2.16,6.15,;3.59,3.61,;4.92,4.38,)|
CCc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)[C@@H](N)C1CC(O)C1 |wD:23.27,(-2.87,6.51,;-1.84,7.66,;-.33,7.34,;.7,8.48,;2.2,8.16,;2.68,6.7,;1.65,5.55,;.14,5.87,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.93,6.69,;10.26,5.92,;10.26,4.38,;8.93,3.61,;11.59,3.61,;11.59,2.07,;12.93,4.38,;13.32,5.87,;14.81,5.47,;16.15,6.24,;14.41,3.98,)|
NC(C1CC(O)C1)c1cccc(n1)-c1ccc2cnn(-c3nccc(n3)C(F)(F)F)c2c1 |(11.59,2.07,;11.59,3.61,;12.93,4.38,;13.32,5.87,;14.81,5.47,;16.15,6.24,;14.41,3.98,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;.7,8.48,;2.2,8.16,;2.68,6.7,;3.23,9.31,;4.27,10.45,;4.38,8.28,;2.09,10.34,;3.59,3.61,;4.92,4.38,)|
N[C@@H]([C@@H]1C[C@H](O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)F)c2c1 |wU:2.6,4.4,wD:1.0,(11.59,2.07,;11.59,3.61,;12.93,4.38,;14.41,3.98,;14.81,5.47,;16.15,6.24,;13.32,5.87,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;.14,5.87,;-1.84,7.66,;-2.87,6.51,;-2.31,9.12,;3.59,3.61,;4.92,4.38,)|
CCc1cncc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)[C@@H](N)C1CC(O)C1 |wD:23.27,(-2.87,6.51,;-1.84,7.66,;-.33,7.34,;.7,8.48,;2.2,8.16,;2.68,6.7,;1.65,5.55,;.14,5.87,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.93,6.69,;10.26,5.92,;10.26,4.38,;8.93,3.61,;11.59,3.61,;11.59,2.07,;12.93,4.38,;13.32,5.87,;14.81,5.47,;16.15,6.24,;14.41,3.98,)|
N[C@@H](C1CC(O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CF)n3)c2c1 |wD:1.0,(11.59,2.07,;11.59,3.61,;12.93,4.38,;13.32,5.87,;14.81,5.47,;16.15,6.24,;14.41,3.98,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;.14,5.87,;3.59,3.61,;4.92,4.38,)|
N[C@@H]([C@@H]1C[C@H](O)C1)c1cncc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |wU:2.6,4.4,wD:1.0,(11.59,2.07,;11.59,3.61,;12.93,4.38,;14.41,3.98,;14.81,5.47,;16.15,6.24,;13.32,5.87,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;.14,5.87,;3.59,3.61,;4.92,4.38,)|
N[C@@H]([C@@H]1C[C@H](O)C1)c1cncc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)(F)F)c2c1 |wU:2.6,4.4,wD:1.0,(11.59,2.07,;11.59,3.61,;12.93,4.38,;14.41,3.98,;14.81,5.47,;16.15,6.24,;13.32,5.87,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;.14,5.87,;-1.84,7.66,;-3.35,7.98,;-1.52,9.16,;-2.16,6.15,;3.59,3.61,;4.92,4.38,)|
N[C@@H]([C@@H]1C[C@H](O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C3(CC3)C#N)c2c1 |wU:1.0,wD:2.2,4.4,(7.59,9,;8.93,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;13.48,10.86,;11.75,8.6,;8.93,6.69,;10.26,5.92,;10.26,4.38,;8.93,3.61,;7.59,4.38,;7.59,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;.7,8.48,;2.2,8.16,;2.68,6.7,;3.23,9.31,;4.59,10.03,;4.54,8.49,;2.29,10.52,;1.34,11.73,;3.59,3.61,;4.92,4.38,)|
N[C@H](C1CC[C@H](O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
N[C@@H](C1CC[C@H](O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
N[C@@H](C1CC[C@@H](O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1 |r|
N[C@@H](C1CC(O)C1)c1cccc(n1)-c1cc(OCC(F)F)c2cnn(-c3cccc(CO)n3)c2c1 |wD:1.0,(11.59,2.07,;11.59,3.61,;12.93,4.38,;13.32,5.87,;14.81,5.47,;16.15,6.24,;14.41,3.98,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;3.59,-2.55,;4.92,-3.32,;2.26,-3.32,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;.14,5.87,;3.59,3.61,;4.92,4.38,)|
CC(O)c1ccnc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)[C@@H](N)C1CC(O)C1 |wD:24.28,(2.76,10.77,;3.23,9.31,;4.74,8.99,;2.2,8.16,;.7,8.48,;-.33,7.34,;.14,5.87,;1.65,5.55,;2.68,6.7,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.93,6.69,;10.26,5.92,;10.26,4.38,;8.93,3.61,;11.59,3.61,;11.59,2.07,;12.93,4.38,;13.32,5.87,;14.81,5.47,;16.15,6.24,;14.41,3.98,)|
N[C@@H](C1CC(F)(F)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
N[C@H](C1CC(F)(F)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1
N[C@@H](C1CC(F)(F)C1)c1cccc(n1)-c1ccc2cnn(-c3nccc(CO)n3)c2c1
N[C@@H](C1CC(F)(F)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(CF)n3)c2c1
N[C@@H](C1CC(F)(F)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)F)c2c1
N[C@@H](c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1)C1(F)CCC1 |r|
N[C@H](c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1)C1(F)CCC1 |r|
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@H](N)C1CC(F)(F)C1
CCOc1cc(cc2n(ncc12)-c1cccc(CO)n1)-c1cccc(n1)[C@@H](N)C1CC(F)(F)C1
N[C@@H](C1CC(O)C1)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)F)c2c1 |wD:1.0,(11.59,2.07,;11.59,3.61,;12.93,4.38,;13.32,5.87,;14.81,5.47,;16.15,6.24,;14.41,3.98,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;.14,5.87,;-1.84,7.66,;-2.87,6.51,;-2.31,9.12,;3.59,3.61,;4.92,4.38,)|
N[C@H](c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1)C1(F)CCC1
N[C@@H](c1cccc(n1)-c1ccc2cnn(-c3cccc(CO)n3)c2c1)C1(F)CCC1
CC1(O)CC(C1)[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(CF)n3)c2c1 |wD:6.7,(16.35,5.43,;14.81,5.47,;15.55,6.83,;13.32,5.87,;12.93,4.38,;14.41,3.98,;11.59,3.61,;11.59,2.07,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;.14,5.87,;3.59,3.61,;4.92,4.38,)|
CC1(O)CC(C1)[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)F)c2c1 |wD:6.7,(16.35,5.43,;14.81,5.47,;15.55,6.83,;13.32,5.87,;12.93,4.38,;14.41,3.98,;11.59,3.61,;11.59,2.07,;10.26,4.38,;10.26,5.92,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;.7,8.48,;-.33,7.34,;.14,5.87,;-1.84,7.66,;-2.87,6.51,;-2.31,9.12,;3.59,3.61,;4.92,4.38,)|
COC1CC(C1)[C@H](N)c1cccc(n1)-c1ccc2cnn(-c3cccc(n3)C(F)F)c2c1 |wU:6.7,(4.37,-10.86,;4.37,-9.32,;5.71,-8.55,;7.19,-8.95,;7.59,-7.46,;6.1,-7.06,;8.93,-6.69,;10.26,-7.46,;8.93,-5.15,;10.26,-4.38,;10.26,-2.84,;8.93,-2.07,;7.59,-2.84,;7.59,-4.38,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;3.23,-7.77,;2.76,-9.23,;4.74,-7.45,;3.59,-2.07,;4.92,-2.84,)|
CCc1ccnc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)[C@@H](N)[C@@H]1C[C@H](O)C1 |r,wD:23.27,25.33,27.31,(9.96,-6.95,;8.93,-5.81,;7.42,-6.13,;6.39,-4.99,;4.89,-5.31,;4.41,-6.77,;5.44,-7.91,;6.95,-7.59,;4.96,-9.38,;5.87,-10.63,;4.96,-11.87,;3.5,-11.4,;2.17,-12.17,;.83,-11.4,;.83,-9.85,;2.17,-9.09,;3.5,-9.85,;-.5,-9.09,;-1.84,-9.85,;-3.17,-9.09,;-3.17,-7.55,;-1.84,-6.77,;-.5,-7.55,;-1.84,-5.24,;-.5,-4.47,;-3.17,-4.47,;-4.66,-4.86,;-5.06,-3.38,;-6.39,-2.61,;-3.57,-2.98,)|
N[C@@H]([C@@H]1C[C@H](O)C1)c1cncc(n1)-c1ccc2cnn(-c3cccc(CF)n3)c2c1 |r,wD:1.0,2.6,4.4,(-.96,-9.07,;-2.3,-9.84,;-3.63,-9.07,;-5.12,-9.47,;-5.52,-7.98,;-6.85,-7.21,;-4.03,-7.58,;-2.3,-11.38,;-3.63,-12.15,;-3.63,-13.69,;-2.3,-14.46,;-.96,-13.69,;-.96,-12.15,;.37,-14.46,;.37,-16,;1.71,-16.77,;3.04,-16,;4.5,-16.47,;5.41,-15.23,;4.5,-13.98,;4.98,-12.52,;3.95,-11.37,;4.42,-9.91,;5.93,-9.59,;6.96,-10.73,;8.47,-10.41,;9.5,-11.56,;6.49,-12.2,;3.04,-14.46,;1.71,-13.69,)|
COc1cccc(n1)-n1ncc2ccc(cc12)-c1cccc(n1)[C@@H](N)C1CC(O)C1 |r,wD:23.27,(8.37,-.66,;7.6,.67,;6.06,.67,;5.29,2.01,;3.75,2.01,;2.98,.67,;3.75,-.66,;5.29,-.66,;2.98,-1.99,;3.89,-3.24,;2.98,-4.49,;1.52,-4.01,;.18,-4.78,;-1.15,-4.01,;-1.15,-2.47,;.18,-1.7,;1.52,-2.47,;-2.48,-1.7,;-3.82,-2.47,;-5.15,-1.7,;-5.15,-.16,;-3.82,.61,;-2.48,-.16,;-3.82,2.15,;-2.48,2.92,;-5.15,2.92,;-5.55,4.41,;-7.04,4.01,;-8.37,4.78,;-6.64,2.52,)|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(nc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(nc2O1)N1CCC(CO)CC1
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2CC(C)(C)Oc2nc1N1CCC(CO)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(nc2O1)N1CCN(CCO)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(nc2O1)N1CCC(F)(CO)CC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(nc2O1)N1CCN(CC(N)=O)CC1
CC1(C)Cc2cc(NC(=O)C(\C=N)=C3/NC=CC=N3)c(nc2O1)N1CCOC[C@@H]1CO |r,c:15,17|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(nc2O1)N1CCN(CC(F)F)CC1
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(nc2O1)N1CCOCC1 |r|
CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(nc2C1=O)N1CCOCC1
CC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(nc2O1)N1CCOCC1 |r|
Cc1cnc2c(cnn2c1)C(=O)Nc1cc2C[C@](C)(CO)Oc2nc1N1CCN(CC(N)=O)CC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3CC3)nc2O1
C[C@]1(O)COc2nc(N3CCN(CC(F)F)CC3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
C[C@@]1(O)COc2nc(N3CCN(CC(F)F)CC3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r|
C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(nc2O1)N1CCN(CC(F)F)CC1 |r|
C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(nc2O1)N1CCN(CC(F)F)CC1 |r|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:22.23,wD:25.30,(6.93,.5,;6.46,1.97,;7.36,3.21,;6.46,4.46,;4.99,3.98,;3.66,4.75,;2.33,3.98,;.99,4.75,;-.34,3.98,;-.5,2.45,;-2.01,2.13,;-2.78,3.46,;-1.75,4.61,;-4.31,3.63,;-4.89,5.05,;-6.42,5.26,;-7.36,4.04,;-6.78,2.61,;-5.25,2.41,;2.33,2.44,;3.66,1.67,;3.66,.13,;2.33,-.64,;2.33,-2.18,;.99,-2.95,;-.34,-2.18,;-.34,-.64,;.99,.13,;-1.68,-2.95,;-3.01,-2.18,;-4.34,-2.95,;-4.34,-4.49,;-3.01,-5.26,;-1.68,-4.49,;4.99,2.44,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(O[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:22.23,wD:25.30,(7.34,2.47,;6.43,3.71,;6.91,5.18,;5.66,6.08,;4.41,5.18,;2.91,5.5,;1.88,4.35,;.37,4.67,;-.66,3.53,;-.34,2.02,;-1.67,1.25,;-2.82,2.28,;-2.19,3.69,;-4.32,1.96,;-5.35,3.11,;-6.86,2.79,;-7.34,1.32,;-6.31,.18,;-4.8,.5,;2.35,2.89,;3.86,2.57,;4.34,1.1,;3.31,-.04,;3.78,-1.51,;2.75,-2.65,;1.24,-2.33,;.77,-.86,;1.8,.28,;.21,-3.47,;-1.29,-3.15,;-2.32,-4.3,;-1.85,-5.76,;-.34,-6.08,;.69,-4.94,;4.89,3.71,)|
CC(C)c1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:24.25,wD:27.32,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(5.94,1.06,;6.57,2.47,;8.1,2.63,;5.66,3.71,;6.14,5.18,;4.89,6.08,;3.65,5.18,;2.14,5.5,;1.11,4.35,;-.39,4.67,;-1.42,3.53,;-1.1,2.02,;-2.44,1.25,;-3.58,2.28,;-2.96,3.69,;-5.09,1.96,;-6.12,3.11,;-7.63,2.79,;-8.1,1.32,;-7.07,.18,;-5.56,.5,;1.59,2.89,;3.09,2.57,;3.57,1.1,;2.54,-.04,;3.02,-1.51,;1.99,-2.65,;.48,-2.33,;0,-.86,;1.03,.28,;-.55,-3.47,;-2.06,-3.15,;-3.09,-4.3,;-2.61,-5.76,;-1.11,-6.08,;-.08,-4.94,;4.12,3.71,)|
Cn1cc(Nc2nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c3c(nsc3n2)C2CCOCC2)cn1 |r,wU:9.8,wD:12.15,(-7.05,1.96,;-5.54,2.28,;-4.92,3.69,;-3.38,3.53,;-2.35,4.67,;-.85,4.35,;-.37,2.89,;1.14,2.57,;1.61,1.1,;.58,-.04,;1.06,-1.51,;.03,-2.65,;-1.48,-2.33,;-1.96,-.86,;-.93,.28,;-2.51,-3.47,;-4.02,-3.15,;-5.05,-4.3,;-4.57,-5.76,;-3.07,-6.08,;-2.03,-4.94,;2.17,3.71,;3.71,3.71,;4.18,5.18,;2.94,6.08,;1.69,5.18,;.18,5.5,;4.61,2.47,;3.98,1.06,;4.89,-.19,;6.42,-.02,;7.05,1.38,;6.14,2.63,;-3.06,2.02,;-4.4,1.25,)|
Cc1nsc2nc(Nc3cnn(c3)[C@H]3CCOC3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:21.22,13.13,wD:24.29,(6.63,.65,;6.15,2.12,;7.06,3.36,;6.15,4.61,;4.69,4.13,;3.35,4.9,;2.02,4.13,;.68,4.9,;-.65,4.13,;-.81,2.6,;-2.32,2.28,;-3.09,3.61,;-2.06,4.76,;-4.62,3.77,;-5.65,2.63,;-7.06,3.26,;-6.89,4.79,;-5.39,5.11,;2.02,2.59,;3.35,1.82,;3.35,.28,;2.02,-.49,;2.02,-2.03,;.68,-2.8,;-.65,-2.03,;-.65,-.49,;.68,.28,;-1.98,-2.8,;-3.32,-2.03,;-4.65,-2.8,;-4.65,-4.34,;-3.32,-5.11,;-1.98,-4.34,;4.69,2.59,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOC3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,w:11.13,wU:21.22,wD:24.29,(6.63,.65,;6.15,2.12,;7.06,3.36,;6.15,4.61,;4.69,4.13,;3.35,4.9,;2.02,4.13,;.68,4.9,;-.65,4.13,;-.81,2.6,;-2.32,2.28,;-3.09,3.61,;-2.06,4.76,;-4.62,3.77,;-5.65,2.63,;-7.06,3.26,;-6.89,4.79,;-5.39,5.11,;2.02,2.59,;3.35,1.82,;3.35,.28,;2.02,-.49,;2.02,-2.03,;.68,-2.8,;-.65,-2.03,;-.65,-.49,;.68,.28,;-1.98,-2.8,;-3.32,-2.03,;-4.65,-2.8,;-4.65,-4.34,;-3.32,-5.11,;-1.98,-4.34,;4.69,2.59,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOC3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:21.22,wD:24.29,(6.63,.65,;6.15,2.12,;7.06,3.36,;6.15,4.61,;4.69,4.13,;3.35,4.9,;2.02,4.13,;.68,4.9,;-.65,4.13,;-.81,2.6,;-2.32,2.28,;-3.09,3.61,;-2.06,4.76,;-4.62,3.77,;-5.65,2.63,;-7.06,3.26,;-6.89,4.79,;-5.39,5.11,;2.02,2.59,;3.35,1.82,;3.35,.28,;2.02,-.49,;2.02,-2.03,;.68,-2.8,;-.65,-2.03,;-.65,-.49,;.68,.28,;-1.98,-2.8,;-3.32,-2.03,;-4.65,-2.8,;-4.65,-4.34,;-3.32,-5.11,;-1.98,-4.34,;4.69,2.59,)|
Cc1nsc2nc(Nc3cnn(c3)C3COC3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:20.21,wD:23.28,(6.49,.71,;6.01,2.17,;6.92,3.42,;6.01,4.66,;4.55,4.19,;3.21,4.96,;1.88,4.19,;.54,4.96,;-.79,4.19,;-.95,2.65,;-2.46,2.33,;-3.23,3.67,;-2.2,4.81,;-4.76,3.83,;-5.69,5.05,;-6.92,4.12,;-5.98,2.9,;1.88,2.65,;3.21,1.88,;3.21,.34,;1.88,-.43,;1.88,-1.97,;.54,-2.74,;-.79,-1.97,;-.79,-.43,;.54,.34,;-2.12,-2.74,;-3.46,-1.97,;-4.79,-2.74,;-4.79,-4.28,;-3.46,-5.05,;-2.12,-4.28,;4.55,2.65,)|
Cc1nsc2nc(Nc3cnn(CCO)c3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:19.19,wD:22.26,(6.64,.75,;6.17,2.22,;7.07,3.47,;6.17,4.71,;4.7,4.24,;3.37,5,;2.03,4.24,;.7,5.01,;-.63,4.24,;-.79,2.7,;-2.3,2.38,;-3.07,3.72,;-4.6,3.88,;-5.54,2.66,;-7.07,2.87,;-2.04,4.86,;2.03,2.7,;3.37,1.92,;3.37,.38,;2.03,-.39,;2.03,-1.93,;.7,-2.7,;-.63,-1.93,;-.63,-.39,;.7,.38,;-1.97,-2.7,;-3.3,-1.93,;-4.63,-2.7,;-4.63,-4.24,;-3.3,-5.01,;-1.97,-4.24,;4.7,2.7,)|
Cc1nsc2nc(Nc3cnn(CC(O)=O)c3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:20.20,wD:23.27,(6.64,.75,;6.17,2.22,;7.07,3.47,;6.17,4.71,;4.7,4.24,;3.37,5,;2.03,4.24,;.7,5.01,;-.63,4.24,;-.79,2.7,;-2.3,2.38,;-3.07,3.72,;-4.6,3.88,;-5.54,2.66,;-4.96,1.23,;-7.07,2.87,;-2.04,4.86,;2.03,2.7,;3.37,1.92,;3.37,.38,;2.03,-.39,;2.03,-1.93,;.7,-2.7,;-.63,-1.93,;-.63,-.39,;.7,.38,;-1.97,-2.7,;-3.3,-1.93,;-4.63,-2.7,;-4.63,-4.24,;-3.3,-5.01,;-1.97,-4.24,;4.7,2.7,)|
CN([C@H]1CC[C@@H](CC1)N1CCOCC1)c1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:2.1,wD:5.8,(4.99,-.64,;3.66,.13,;2.33,-.64,;2.33,-2.18,;.99,-2.95,;-.34,-2.18,;-.34,-.64,;.99,.13,;-1.68,-2.95,;-3.01,-2.18,;-4.34,-2.95,;-4.34,-4.49,;-3.01,-5.26,;-1.68,-4.49,;3.66,1.67,;2.33,2.44,;2.33,3.98,;.99,4.75,;-.34,3.98,;-.5,2.45,;-2.01,2.13,;-2.78,3.46,;-1.75,4.61,;-4.31,3.63,;-4.89,5.05,;-6.42,5.26,;-7.36,4.04,;-6.78,2.61,;-5.25,2.41,;3.66,4.75,;4.99,3.98,;6.46,4.46,;7.36,3.21,;6.46,1.97,;6.93,.5,;4.99,2.44,)|
Cc1nsc2nc(Nc3cnn(C[C@H]4COCCO4)c3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:23.24,13.12,wD:26.31,(7.11,.75,;6.64,2.22,;7.54,3.47,;6.64,4.71,;5.17,4.24,;3.84,5,;2.5,4.24,;1.17,5.01,;-.16,4.24,;-.32,2.7,;-1.83,2.38,;-2.6,3.72,;-4.13,3.88,;-5.07,2.66,;-4.49,1.23,;-5.43,.02,;-6.96,.22,;-7.54,1.65,;-6.6,2.87,;-1.57,4.86,;2.5,2.7,;3.84,1.92,;3.84,.38,;2.5,-.39,;2.5,-1.93,;1.17,-2.7,;-.16,-1.93,;-.16,-.39,;1.17,.38,;-1.5,-2.7,;-2.83,-1.93,;-4.16,-2.7,;-4.16,-4.24,;-2.83,-5.01,;-1.5,-4.24,;5.17,2.7,)|
Cc1nsc2nc(Nc3cnn(C[C@@H]4COCCO4)c3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:23.24,wD:26.31,13.12,(7.11,.75,;6.64,2.22,;7.54,3.47,;6.64,4.71,;5.17,4.24,;3.84,5,;2.5,4.24,;1.17,5.01,;-.16,4.24,;-.32,2.7,;-1.83,2.38,;-2.6,3.72,;-4.13,3.88,;-5.07,2.66,;-4.49,1.23,;-5.43,.02,;-6.96,.22,;-7.54,1.65,;-6.6,2.87,;-1.57,4.86,;2.5,2.7,;3.84,1.92,;3.84,.38,;2.5,-.39,;2.5,-1.93,;1.17,-2.7,;-.16,-1.93,;-.16,-.39,;1.17,.38,;-1.5,-2.7,;-2.83,-1.93,;-4.16,-2.7,;-4.16,-4.24,;-2.83,-5.01,;-1.5,-4.24,;5.17,2.7,)|
Cc1nsc2nc(Nc3cnn(c3)C3(C)COC3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:21.22,wD:24.29,(6.49,.71,;6.01,2.17,;6.92,3.42,;6.01,4.66,;4.55,4.19,;3.21,4.96,;1.88,4.19,;.54,4.96,;-.79,4.19,;-.95,2.65,;-2.46,2.33,;-3.23,3.67,;-2.2,4.81,;-4.76,3.83,;-4.36,2.34,;-5.69,5.05,;-6.92,4.12,;-5.98,2.9,;1.88,2.65,;3.21,1.88,;3.21,.34,;1.88,-.43,;1.88,-1.97,;.54,-2.74,;-.79,-1.97,;-.79,-.43,;.54,.34,;-2.12,-2.74,;-3.46,-1.97,;-4.79,-2.74,;-4.79,-4.28,;-3.46,-5.05,;-2.12,-4.28,;4.55,2.65,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CCNCC3)c12 |r,wU:25.30,wD:22.23,(9.5,-18.22,;9.03,-16.75,;9.93,-15.51,;9.03,-14.26,;7.56,-14.74,;6.23,-13.97,;4.89,-14.74,;3.56,-13.97,;2.23,-14.74,;2.07,-16.27,;.56,-16.59,;-.21,-15.25,;.82,-14.11,;-1.74,-15.09,;-2.33,-13.67,;-3.85,-13.46,;-4.79,-14.68,;-4.21,-16.11,;-2.68,-16.31,;4.89,-16.28,;6.23,-17.05,;6.23,-18.59,;4.89,-19.36,;3.56,-18.59,;2.23,-19.36,;2.23,-20.9,;3.56,-21.67,;4.89,-20.9,;.89,-21.67,;-.44,-20.9,;-1.77,-21.67,;-1.77,-23.21,;-.44,-23.98,;.89,-23.21,;7.56,-16.28,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:10.10,wD:13.17,(-5.62,-10.65,;-4.29,-9.88,;-2.96,-10.65,;-2.96,-12.19,;-1.62,-9.88,;-1.62,-8.34,;-.29,-7.57,;1.04,-8.34,;1.04,-9.88,;-.29,-10.65,;2.38,-7.57,;2.38,-6.03,;3.71,-5.26,;5.04,-6.03,;5.04,-7.57,;3.71,-8.34,;6.38,-5.26,;6.38,-3.72,;5.04,-2.95,;5.04,-1.41,;3.71,-.64,;2.38,-1.41,;2.22,-2.94,;.71,-3.26,;-.06,-1.93,;.97,-.79,;-1.59,-1.77,;-2.18,-.34,;-3.7,-.14,;-4.64,-1.36,;-4.06,-2.78,;-2.53,-2.99,;6.38,-.64,;7.71,-1.41,;9.18,-.94,;10.08,-2.18,;9.18,-3.43,;9.65,-4.89,;7.71,-2.95,)|
CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:12.16,wD:9.9,(-5.68,-6.03,;-5.68,-4.49,;-7.01,-3.72,;-4.34,-3.72,;-4.34,-2.18,;-3.01,-1.41,;-1.68,-2.18,;-1.68,-3.72,;-3.01,-4.49,;-.34,-1.41,;.99,-2.18,;2.33,-1.41,;2.33,.13,;.99,.9,;-.34,.13,;3.66,.9,;3.66,2.44,;2.33,3.21,;2.33,4.75,;.99,5.52,;-.34,4.75,;-.5,3.22,;-2.01,2.9,;-2.78,4.23,;-1.75,5.38,;-4.31,4.4,;-4.89,5.82,;-6.42,6.03,;-7.36,4.81,;-6.78,3.38,;-5.25,3.18,;3.66,5.52,;4.99,4.75,;6.46,5.23,;7.36,3.98,;6.46,2.74,;6.93,1.27,;4.99,3.21,)|
CCOC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:14.18,wD:11.11,(-8.52,-3.72,;-7.19,-4.49,;-5.85,-3.72,;-4.52,-4.49,;-4.52,-6.03,;-3.19,-3.72,;-3.19,-2.18,;-1.85,-1.41,;-.52,-2.18,;-.52,-3.72,;-1.85,-4.49,;.82,-1.41,;2.15,-2.18,;3.48,-1.41,;3.48,.13,;2.15,.9,;.82,.13,;4.82,.9,;4.82,2.44,;3.48,3.21,;3.48,4.75,;2.15,5.52,;.82,4.75,;.65,3.22,;-.85,2.9,;-1.62,4.23,;-.59,5.38,;-3.15,4.4,;-3.74,5.82,;-5.26,6.03,;-6.21,4.81,;-5.62,3.38,;-4.1,3.18,;4.82,5.52,;6.15,4.75,;7.61,5.23,;8.52,3.98,;7.61,2.74,;8.09,1.27,;6.15,3.21,)|
CC(C)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:12.16,wD:9.9,(-7.01,-3.72,;-5.68,-4.49,;-5.68,-6.03,;-4.34,-3.72,;-4.34,-2.18,;-3.01,-1.41,;-1.68,-2.18,;-1.68,-3.72,;-3.01,-4.49,;-.34,-1.41,;.99,-2.18,;2.33,-1.41,;2.33,.13,;.99,.9,;-.34,.13,;3.66,.9,;3.66,2.44,;2.33,3.21,;2.33,4.75,;.99,5.52,;-.34,4.75,;-.5,3.22,;-2.01,2.9,;-2.78,4.23,;-1.75,5.38,;-4.31,4.4,;-4.89,5.82,;-6.42,6.03,;-7.36,4.81,;-6.78,3.38,;-5.25,3.18,;3.66,5.52,;4.99,4.75,;6.46,5.23,;7.36,3.98,;6.46,2.74,;6.93,1.27,;4.99,3.21,)|
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:10.14,wD:7.7,(-5.68,-5.26,;-4.34,-4.49,;-4.34,-2.95,;-3.01,-2.18,;-1.68,-2.95,;-1.68,-4.49,;-3.01,-5.26,;-.34,-2.18,;.99,-2.95,;2.33,-2.18,;2.33,-.64,;.99,.13,;-.34,-.64,;3.66,.13,;3.66,1.67,;2.33,2.44,;2.33,3.98,;.99,4.75,;-.34,3.98,;-.5,2.45,;-2.01,2.13,;-2.78,3.46,;-1.75,4.61,;-4.31,3.63,;-4.89,5.05,;-6.42,5.26,;-7.36,4.04,;-6.78,2.61,;-5.25,2.41,;3.66,4.75,;4.99,3.98,;6.46,4.46,;7.36,3.21,;6.46,1.97,;6.93,.5,;4.99,2.44,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C3CC3)c12 |r,wU:22.23,wD:25.30,(6.93,1.17,;6.46,2.63,;7.36,3.88,;6.46,5.13,;4.99,4.65,;3.66,5.42,;2.33,4.65,;.99,5.42,;-.34,4.65,;-.5,3.12,;-2.01,2.8,;-2.78,4.13,;-1.75,5.28,;-4.31,4.29,;-4.89,5.72,;-6.42,5.92,;-7.36,4.71,;-6.78,3.28,;-5.25,3.07,;2.33,3.11,;3.66,2.34,;3.66,.8,;2.33,.03,;2.33,-1.51,;.99,-2.28,;-.34,-1.51,;-.34,.03,;.99,.8,;-1.68,-2.28,;-3.01,-1.51,;-4.34,-2.28,;-4.34,-3.82,;-3.01,-4.59,;-1.68,-3.82,;-5.68,-4.59,;-7.22,-4.59,;-6.45,-5.92,;4.99,3.11,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOC2)nc2snc(C)c12 |r,wU:13.17,wD:10.10,(-7.85,-4.35,;-6.52,-3.58,;-5.19,-4.35,;-5.19,-5.89,;-3.85,-3.58,;-3.85,-2.04,;-2.52,-1.27,;-1.18,-2.04,;-1.18,-3.58,;-2.52,-4.35,;.15,-1.27,;1.48,-2.04,;2.82,-1.27,;2.82,.27,;1.48,1.04,;.15,.27,;4.15,1.04,;4.15,2.58,;2.82,3.35,;2.82,4.89,;1.48,5.66,;.15,4.89,;-.01,3.36,;-1.52,3.04,;-2.29,4.37,;-1.26,5.52,;-3.82,4.53,;-4.88,3.42,;-6.27,4.09,;-6.07,5.61,;-4.55,5.89,;4.15,5.66,;5.48,4.89,;6.95,5.37,;7.85,4.12,;6.95,2.87,;7.42,1.41,;5.48,3.35,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)[C@@H]2CCOC2)nc2snc(C)c12 |r,wU:13.17,wD:10.10,26.28,(-7.85,-4.35,;-6.52,-3.58,;-5.19,-4.35,;-5.19,-5.89,;-3.85,-3.58,;-3.85,-2.04,;-2.52,-1.27,;-1.18,-2.04,;-1.18,-3.58,;-2.52,-4.35,;.15,-1.27,;1.48,-2.04,;2.82,-1.27,;2.82,.27,;1.48,1.04,;.15,.27,;4.15,1.04,;4.15,2.58,;2.82,3.35,;2.82,4.89,;1.48,5.66,;.15,4.89,;-.01,3.36,;-1.52,3.04,;-2.29,4.37,;-1.26,5.52,;-3.82,4.53,;-4.88,3.42,;-6.27,4.09,;-6.07,5.61,;-4.55,5.89,;4.15,5.66,;5.48,4.89,;6.95,5.37,;7.85,4.12,;6.95,2.87,;7.42,1.41,;5.48,3.35,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)[C@H]2CCOC2)nc2snc(C)c12 |r,wU:13.17,26.28,wD:10.10,(-7.85,-4.35,;-6.52,-3.58,;-5.19,-4.35,;-5.19,-5.89,;-3.85,-3.58,;-3.85,-2.04,;-2.52,-1.27,;-1.18,-2.04,;-1.18,-3.58,;-2.52,-4.35,;.15,-1.27,;1.48,-2.04,;2.82,-1.27,;2.82,.27,;1.48,1.04,;.15,.27,;4.15,1.04,;4.15,2.58,;2.82,3.35,;2.82,4.89,;1.48,5.66,;.15,4.89,;-.01,3.36,;-1.52,3.04,;-2.29,4.37,;-1.26,5.52,;-3.82,4.53,;-4.88,3.42,;-6.27,4.09,;-6.07,5.61,;-4.55,5.89,;4.15,5.66,;5.48,4.89,;6.95,5.37,;7.85,4.12,;6.95,2.87,;7.42,1.41,;5.48,3.35,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2snc(C)c12 |r,wU:13.17,wD:10.10,(-7.85,-4.24,;-6.52,-3.47,;-5.19,-4.24,;-5.19,-5.78,;-3.85,-3.47,;-3.85,-1.93,;-2.52,-1.16,;-1.18,-1.93,;-1.18,-3.47,;-2.52,-4.24,;.15,-1.16,;1.48,-1.93,;2.82,-1.16,;2.82,.38,;1.48,1.15,;.15,.38,;4.15,1.15,;4.15,2.69,;2.82,3.47,;2.82,5.01,;1.48,5.78,;.15,5.01,;-.01,3.47,;-1.52,3.15,;-2.29,4.49,;-3.82,4.65,;-1.26,5.63,;4.15,5.77,;5.48,5.01,;6.95,5.48,;7.85,4.24,;6.95,2.99,;7.42,1.52,;5.48,3.47,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(NC3CCC(CC3)N3CCCNCC3)c12 |(6.93,.64,;6.46,2.1,;7.36,3.35,;6.46,4.6,;4.99,4.12,;3.66,4.89,;2.33,4.12,;.99,4.89,;-.34,4.12,;-.5,2.59,;-2.01,2.27,;-2.78,3.6,;-1.75,4.75,;-4.31,3.76,;-4.89,5.19,;-6.42,5.39,;-7.36,4.18,;-6.78,2.75,;-5.25,2.54,;2.33,2.58,;3.66,1.81,;3.66,.27,;2.33,-.5,;2.33,-2.04,;.99,-2.81,;-.34,-2.04,;-.34,-.5,;.99,.27,;-1.68,-2.81,;-1.56,-4.35,;-2.69,-5.39,;-4.21,-5.16,;-4.98,-3.83,;-4.42,-2.4,;-2.95,-1.94,;4.99,2.58,)|
CN1CCCN(CC1)C1CCC(CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |(-6.52,-4.09,;-4.98,-3.83,;-4.21,-5.16,;-2.69,-5.39,;-1.56,-4.35,;-1.68,-2.81,;-2.95,-1.94,;-4.42,-2.4,;-.34,-2.04,;.99,-2.81,;2.33,-2.04,;2.33,-.5,;.99,.27,;-.34,-.5,;3.66,.27,;3.66,1.81,;2.33,2.58,;2.33,4.12,;.99,4.89,;-.34,4.12,;-.5,2.59,;-2.01,2.27,;-2.78,3.6,;-1.75,4.75,;-4.31,3.76,;-4.89,5.19,;-6.42,5.39,;-7.36,4.18,;-6.78,2.75,;-5.25,2.54,;3.66,4.89,;4.99,4.12,;6.46,4.6,;7.36,3.35,;6.46,2.1,;6.93,.64,;4.99,2.58,)|
CC(=O)N1CCCN(CC1)C1CCC(CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |(-7.39,-2.69,;-6.49,-3.95,;-7.15,-5.34,;-4.96,-3.83,;-4.19,-5.16,;-2.66,-5.39,;-1.54,-4.35,;-1.65,-2.81,;-2.92,-1.94,;-4.39,-2.4,;-.32,-2.04,;1.02,-2.81,;2.35,-2.04,;2.35,-.5,;1.02,.27,;-.32,-.5,;3.68,.27,;3.68,1.81,;2.35,2.58,;2.35,4.12,;1.02,4.89,;-.32,4.12,;-.48,2.59,;-1.98,2.27,;-2.75,3.6,;-1.72,4.75,;-4.29,3.76,;-4.87,5.19,;-6.4,5.39,;-7.34,4.18,;-6.75,2.75,;-5.23,2.54,;3.68,4.89,;5.02,4.12,;6.48,4.6,;7.39,3.35,;6.48,2.1,;6.96,.64,;5.02,2.58,)|
COC(=O)N1CCCN(CC1)C1CCC(CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |(-6.75,-1.29,;-7.39,-2.69,;-6.49,-3.95,;-7.15,-5.34,;-4.96,-3.83,;-4.19,-5.16,;-2.66,-5.39,;-1.54,-4.35,;-1.65,-2.81,;-2.92,-1.94,;-4.39,-2.4,;-.32,-2.04,;1.02,-2.81,;2.35,-2.04,;2.35,-.5,;1.02,.27,;-.32,-.5,;3.68,.27,;3.68,1.81,;2.35,2.58,;2.35,4.12,;1.02,4.89,;-.32,4.12,;-.48,2.59,;-1.98,2.27,;-2.75,3.6,;-1.72,4.75,;-4.29,3.76,;-4.87,5.19,;-6.4,5.39,;-7.34,4.18,;-6.75,2.75,;-5.23,2.54,;3.68,4.89,;5.02,4.12,;6.48,4.6,;7.39,3.35,;6.48,2.1,;6.96,.64,;5.02,2.58,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CC4CC(C3)N4)c12 |r,wU:22.23,wD:25.30,(6.93,1.27,;6.46,2.74,;7.36,3.98,;6.46,5.23,;4.99,4.75,;3.66,5.52,;2.33,4.75,;.99,5.52,;-.34,4.75,;-.5,3.22,;-2.01,2.9,;-2.78,4.24,;-1.75,5.38,;-4.31,4.4,;-4.89,5.82,;-6.42,6.03,;-7.36,4.81,;-6.78,3.39,;-5.25,3.18,;2.33,3.21,;3.66,2.44,;3.66,.9,;2.57,-.19,;2.97,-1.67,;1.88,-2.76,;.39,-2.36,;-.01,-.88,;1.08,.21,;-.7,-3.45,;-2.18,-3.05,;-3.27,-4.14,;-1.79,-4.55,;-1.39,-6.03,;-.3,-4.94,;-2.87,-5.63,;4.99,3.21,)|
CN1C2CC1CN(C2)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:11.16,wD:8.9,(-3.96,-6.37,;-2.87,-5.28,;-3.27,-3.8,;-1.79,-4.21,;-1.39,-5.68,;-.3,-4.59,;-.7,-3.11,;-2.18,-2.71,;.39,-2.02,;1.88,-2.42,;2.97,-1.33,;2.57,.16,;1.08,.56,;-.01,-.53,;3.66,1.25,;3.66,2.79,;2.33,3.56,;2.33,5.1,;.99,5.87,;-.34,5.1,;-.5,3.57,;-2.01,3.25,;-2.78,4.58,;-1.75,5.73,;-4.31,4.74,;-4.89,6.17,;-6.42,6.37,;-7.36,5.16,;-6.78,3.73,;-5.25,3.52,;3.66,5.87,;4.99,5.1,;6.46,5.57,;7.36,4.33,;6.46,3.08,;6.93,1.62,;4.99,3.56,)|
CC(=O)N1C2CC1CN(C2)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:13.18,wD:10.11,(-3.56,-7.12,;-3.96,-5.63,;-5.45,-5.23,;-2.87,-4.54,;-3.27,-3.05,;-1.79,-3.46,;-1.39,-4.94,;-.3,-3.85,;-.7,-2.36,;-2.18,-1.96,;.39,-1.27,;1.88,-1.67,;2.97,-.58,;2.57,.9,;1.08,1.3,;-.01,.21,;3.66,1.99,;3.66,3.53,;2.33,4.3,;2.33,5.84,;.99,6.61,;-.34,5.84,;-.5,4.31,;-2.01,3.99,;-2.78,5.32,;-1.75,6.47,;-4.31,5.49,;-4.89,6.91,;-6.42,7.12,;-7.36,5.9,;-6.78,4.47,;-5.25,4.27,;3.66,6.61,;4.99,5.84,;6.46,6.32,;7.36,5.07,;6.46,3.83,;6.93,2.36,;4.99,4.3,)|
COC(=O)N1C2CC1CN(C2)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:14.19,wD:11.12,(-4.65,-7.66,;-3.56,-6.57,;-3.96,-5.09,;-5.45,-4.69,;-2.87,-4,;-3.27,-2.51,;-1.79,-2.92,;-1.39,-4.4,;-.3,-3.31,;-.7,-1.82,;-2.18,-1.42,;.39,-.73,;1.88,-1.13,;2.97,-.04,;2.57,1.45,;1.08,1.85,;-.01,.76,;3.66,2.54,;3.66,4.08,;2.33,4.85,;2.33,6.39,;.99,7.16,;-.34,6.39,;-.5,4.86,;-2.01,4.54,;-2.78,5.87,;-1.75,7.01,;-4.31,6.03,;-4.89,7.46,;-6.42,7.66,;-7.36,6.44,;-6.78,5.02,;-5.25,4.81,;3.66,7.16,;4.99,6.39,;6.46,6.86,;7.36,5.62,;6.46,4.37,;6.93,2.91,;4.99,4.85,)|
CN1C[C@H]2C[C@@H]1CN2[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:11.16,wD:8.9,5.4,3.3,(-3.96,-6.37,;-2.87,-5.28,;-1.39,-5.68,;-.3,-4.59,;-1.79,-4.21,;-3.27,-3.8,;-2.18,-2.71,;-.7,-3.11,;.39,-2.02,;1.88,-2.42,;2.97,-1.33,;2.57,.16,;1.08,.56,;-.01,-.53,;3.66,1.25,;3.66,2.79,;2.33,3.56,;2.33,5.1,;.99,5.87,;-.34,5.1,;-.5,3.57,;-2.01,3.25,;-2.78,4.58,;-1.75,5.73,;-4.31,4.74,;-4.89,6.17,;-6.42,6.37,;-7.36,5.16,;-6.78,3.73,;-5.25,3.52,;3.66,5.87,;4.99,5.1,;6.46,5.57,;7.36,4.33,;6.46,3.08,;6.93,1.62,;4.99,3.56,)|
CC(C)N1C[C@H]2C[C@@H]1CN2[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:13.18,wD:10.11,7.6,5.5,(-3.56,-7.12,;-3.96,-5.63,;-5.45,-5.23,;-2.87,-4.54,;-1.39,-4.94,;-.3,-3.85,;-1.77,-3.26,;-3.27,-3.05,;-2.18,-1.96,;-.7,-2.36,;.39,-1.27,;1.88,-1.67,;2.97,-.58,;2.57,.9,;1.08,1.3,;-.01,.21,;3.66,1.99,;3.66,3.53,;2.33,4.3,;2.33,5.84,;.99,6.61,;-.34,5.84,;-.5,4.31,;-2.01,3.99,;-2.78,5.32,;-1.75,6.47,;-4.31,5.49,;-4.89,6.91,;-6.42,7.12,;-7.36,5.9,;-6.78,4.47,;-5.25,4.27,;3.66,6.61,;4.99,5.84,;6.46,6.32,;7.36,5.07,;6.46,3.83,;6.93,2.36,;4.99,4.3,)|
COC(=O)N1C[C@H]2C[C@@H]1CN2[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:14.19,wD:11.12,8.7,6.6,(-7.85,-4.49,;-6.52,-3.72,;-5.19,-4.49,;-5.19,-6.03,;-3.85,-3.72,;-2.52,-4.49,;-1.18,-3.72,;-2.52,-2.95,;-3.85,-2.18,;-2.52,-1.41,;-1.18,-2.18,;.15,-1.41,;1.48,-2.18,;2.82,-1.41,;2.82,.13,;1.48,.9,;.15,.13,;4.15,.9,;4.15,2.44,;2.82,3.21,;2.82,4.75,;1.48,5.52,;.15,4.75,;-.01,3.22,;-1.52,2.9,;-2.29,4.23,;-1.26,5.38,;-3.82,4.4,;-4.4,5.82,;-5.93,6.03,;-6.87,4.81,;-6.29,3.38,;-4.76,3.18,;4.15,5.52,;5.48,4.75,;6.95,5.23,;7.85,3.98,;6.95,2.74,;7.42,1.27,;5.48,3.21,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CCNC(=O)C3)c12 |r,wU:22.23,wD:25.30,(6.93,.5,;6.46,1.97,;7.36,3.21,;6.46,4.46,;4.99,3.98,;3.66,4.75,;2.33,3.98,;.99,4.75,;-.34,3.98,;-.5,2.45,;-2.01,2.13,;-2.78,3.46,;-1.75,4.61,;-4.31,3.63,;-4.89,5.05,;-6.42,5.26,;-7.36,4.04,;-6.78,2.61,;-5.25,2.41,;2.33,2.44,;3.66,1.67,;3.66,.13,;2.33,-.64,;2.33,-2.18,;.99,-2.95,;-.34,-2.18,;-.34,-.64,;.99,.13,;-1.68,-2.95,;-1.68,-4.49,;-3.01,-5.26,;-4.34,-4.49,;-4.34,-2.95,;-5.68,-2.18,;-3.01,-2.18,;4.99,2.44,)|
CC1CN(CCN1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:10.14,wD:7.7,(-5.68,-2.18,;-4.34,-2.95,;-3.01,-2.18,;-1.68,-2.95,;-1.68,-4.49,;-3.01,-5.26,;-4.34,-4.49,;-.34,-2.18,;.99,-2.95,;2.33,-2.18,;2.33,-.64,;.99,.13,;-.34,-.64,;3.66,.13,;3.66,1.67,;2.33,2.44,;2.33,3.98,;.99,4.75,;-.34,3.98,;-.5,2.45,;-2.01,2.13,;-2.78,3.46,;-1.75,4.61,;-4.31,3.63,;-4.89,5.05,;-6.42,5.26,;-7.36,4.04,;-6.78,2.61,;-5.25,2.41,;3.66,4.75,;4.99,3.98,;6.46,4.46,;7.36,3.21,;6.46,1.97,;6.93,.5,;4.99,2.44,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CCNC4(CC4)C3)c12 |r,wU:22.23,wD:25.30,(6.93,.5,;6.46,1.97,;7.36,3.21,;6.46,4.46,;4.99,3.98,;3.66,4.75,;2.33,3.98,;.99,4.75,;-.34,3.98,;-.5,2.45,;-2.01,2.13,;-2.78,3.46,;-1.75,4.61,;-4.31,3.63,;-4.89,5.05,;-6.42,5.26,;-7.36,4.04,;-6.78,2.61,;-5.25,2.41,;2.33,2.44,;3.66,1.67,;3.66,.13,;2.33,-.64,;2.33,-2.18,;.99,-2.95,;-.34,-2.18,;-.34,-.64,;.99,.13,;-1.68,-2.95,;-1.68,-4.49,;-3.01,-5.26,;-4.34,-4.49,;-4.34,-2.95,;-5.11,-1.61,;-5.88,-2.95,;-3.01,-2.18,;4.99,2.44,)|
CC1CNCCN1[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:10.14,wD:7.7,(-3.01,-.64,;-3.01,-2.18,;-4.34,-2.95,;-4.34,-4.49,;-3.01,-5.26,;-1.68,-4.49,;-1.68,-2.95,;-.34,-2.18,;.99,-2.95,;2.33,-2.18,;2.33,-.64,;.99,.13,;-.34,-.64,;3.66,.13,;3.66,1.67,;2.33,2.44,;2.33,3.98,;.99,4.75,;-.34,3.98,;-.5,2.45,;-2.01,2.13,;-2.78,3.46,;-1.75,4.61,;-4.31,3.63,;-4.89,5.05,;-6.42,5.26,;-7.36,4.04,;-6.78,2.61,;-5.25,2.41,;3.66,4.75,;4.99,3.98,;6.46,4.46,;7.36,3.21,;6.46,1.97,;6.93,.5,;4.99,2.44,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CCC(O)CC3)c12 |r,wU:22.23,wD:25.30,(6.93,.5,;6.46,1.97,;7.36,3.21,;6.46,4.46,;4.99,3.98,;3.66,4.75,;2.33,3.98,;.99,4.75,;-.34,3.98,;-.5,2.45,;-2.01,2.13,;-2.78,3.46,;-1.75,4.61,;-4.31,3.63,;-4.89,5.05,;-6.42,5.26,;-7.36,4.04,;-6.78,2.61,;-5.25,2.41,;2.33,2.44,;3.66,1.67,;3.66,.13,;2.33,-.64,;2.33,-2.18,;.99,-2.95,;-.34,-2.18,;-.34,-.64,;.99,.13,;-1.68,-2.95,;-3.01,-2.18,;-4.34,-2.95,;-4.34,-4.49,;-5.68,-5.26,;-3.01,-5.26,;-1.68,-4.49,;4.99,2.44,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3=O)c12 |r,wU:22.23,wD:25.30,(6.93,.5,;6.46,1.97,;7.36,3.21,;6.46,4.46,;4.99,3.98,;3.66,4.75,;2.33,3.98,;.99,4.75,;-.34,3.98,;-.5,2.45,;-2.01,2.13,;-2.78,3.46,;-1.75,4.61,;-4.31,3.63,;-4.89,5.05,;-6.42,5.26,;-7.36,4.04,;-6.78,2.61,;-5.25,2.41,;2.33,2.44,;3.66,1.67,;3.66,.13,;2.33,-.64,;2.33,-2.18,;.99,-2.95,;-.34,-2.18,;-.34,-.64,;.99,.13,;-1.68,-2.95,;-3.01,-2.18,;-4.34,-2.95,;-4.34,-4.49,;-3.01,-5.26,;-1.68,-4.49,;-.34,-5.26,;4.99,2.44,)|
N#CCc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:24.25,wD:27.32,(3.58,-1.79,;4.61,-.64,;5.64,.5,;5.17,1.97,;6.07,3.21,;5.17,4.46,;3.7,3.98,;2.37,4.75,;1.03,3.98,;-.3,4.75,;-1.63,3.98,;-1.79,2.45,;-3.3,2.13,;-4.07,3.46,;-3.04,4.61,;-5.6,3.63,;-6.19,5.05,;-7.71,5.26,;-8.65,4.04,;-8.07,2.61,;-6.54,2.41,;1.03,2.44,;2.37,1.67,;2.37,.13,;1.03,-.64,;1.03,-2.18,;-.3,-2.95,;-1.63,-2.18,;-1.63,-.64,;-.3,.13,;-2.97,-2.95,;-4.3,-2.18,;-5.63,-2.95,;-5.63,-4.49,;-4.3,-5.26,;-2.97,-4.49,;3.7,2.44,)|
OC(=O)Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:25.26,wD:28.33,(8.42,1.33,;7.39,.18,;7.86,-1.28,;5.88,.5,;5.4,1.97,;6.31,3.21,;5.4,4.46,;3.94,3.98,;2.61,4.75,;1.27,3.98,;-.06,4.75,;-1.4,3.98,;-1.56,2.45,;-3.06,2.13,;-3.83,3.46,;-2.8,4.61,;-5.36,3.63,;-5.95,5.05,;-7.47,5.26,;-8.42,4.04,;-7.83,2.61,;-6.31,2.41,;1.27,2.44,;2.61,1.67,;2.61,.13,;1.27,-.64,;1.27,-2.18,;-.06,-2.95,;-1.4,-2.18,;-1.4,-.64,;-.06,.13,;-2.73,-2.95,;-4.06,-2.18,;-5.4,-2.95,;-5.4,-4.49,;-4.06,-5.26,;-2.73,-4.49,;3.94,2.44,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CCC(CC3)C(O)=O)c12 |r,wU:22.23,wD:25.30,(6.93,1.27,;6.46,2.74,;7.36,3.98,;6.46,5.23,;4.99,4.75,;3.66,5.52,;2.33,4.75,;.99,5.52,;-.34,4.75,;-.5,3.22,;-2.01,2.9,;-2.78,4.23,;-1.75,5.38,;-4.31,4.4,;-4.89,5.82,;-6.42,6.03,;-7.36,4.81,;-6.78,3.38,;-5.25,3.18,;2.33,3.21,;3.66,2.44,;3.66,.9,;2.33,.13,;2.33,-1.41,;.99,-2.18,;-.34,-1.41,;-.34,.13,;.99,.9,;-1.68,-2.18,;-3.01,-1.41,;-4.34,-2.18,;-4.34,-3.72,;-3.01,-4.49,;-1.68,-3.72,;-5.68,-4.49,;-7.01,-3.72,;-5.68,-6.03,;4.99,3.21,)|
CN(C)C1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2snc(C)c12 |r,wU:12.16,wD:9.9,(-7.01,-3.72,;-5.68,-4.49,;-5.68,-6.03,;-4.34,-3.72,;-4.34,-2.18,;-3.01,-1.41,;-1.68,-2.18,;-1.68,-3.72,;-3.01,-4.49,;-.34,-1.41,;.99,-2.18,;2.33,-1.41,;2.33,.13,;.99,.9,;-.34,.13,;3.66,.9,;3.66,2.44,;2.33,3.21,;2.33,4.75,;.99,5.52,;-.34,4.75,;-.5,3.22,;-2.01,2.9,;-2.78,4.23,;-1.75,5.38,;-4.31,4.4,;-4.89,5.82,;-6.42,6.03,;-7.36,4.81,;-6.78,3.38,;-5.25,3.18,;3.66,5.52,;4.99,4.75,;6.46,5.23,;7.36,3.98,;6.46,2.74,;6.93,1.27,;4.99,3.21,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(c2)C2CCC(F)(F)CC2)nc2snc(C)c12 |r,wU:13.17,wD:10.10,(-7.68,-4.49,;-6.34,-3.72,;-5.01,-4.49,;-5.01,-6.03,;-3.68,-3.72,;-3.68,-2.18,;-2.34,-1.41,;-1.01,-2.18,;-1.01,-3.72,;-2.34,-4.49,;.32,-1.41,;1.66,-2.18,;2.99,-1.41,;2.99,.13,;1.66,.9,;.32,.13,;4.33,.9,;4.33,2.44,;2.99,3.21,;2.99,4.75,;1.66,5.52,;.32,4.75,;.16,3.22,;-1.34,2.9,;-2.11,4.23,;-1.08,5.38,;-3.64,4.4,;-4.23,5.82,;-5.75,6.03,;-6.7,4.81,;-8.03,5.58,;-8.03,4.04,;-6.11,3.38,;-4.59,3.18,;4.33,5.52,;5.66,4.75,;7.12,5.23,;8.03,3.98,;7.12,2.74,;7.6,1.27,;5.66,3.21,)|
Cc1nsc2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@H]3CC[C@@H](CC3)N3CC(O)C3)c12 |r,wU:22.23,wD:25.30,(6.93,.83,;6.46,2.3,;7.36,3.54,;6.46,4.79,;4.99,4.31,;3.66,5.08,;2.33,4.31,;.99,5.08,;-.34,4.31,;-.5,2.78,;-2.01,2.46,;-2.78,3.79,;-1.75,4.94,;-4.31,3.95,;-4.89,5.38,;-6.42,5.59,;-7.36,4.37,;-6.78,2.94,;-5.25,2.74,;2.33,2.77,;3.66,2,;3.66,.46,;2.33,-.31,;2.33,-1.85,;.99,-2.62,;-.34,-1.85,;-.34,-.31,;.99,.46,;-1.68,-2.62,;-3.16,-2.22,;-3.56,-3.71,;-4.9,-4.48,;-2.07,-4.11,;4.99,2.77,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC#N)-c1ccc2cc(cnn12)C#N |r|
C[C@@H](Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N)C#N |r|
C[C@H](Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N)C#N
CC[C@@H](Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N)C#N
CC[C@H](Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCCC#N)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC(C)(C)C#N)-c1ccc2cc(cnn12)C#N
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(CC1)C#N)-c1ccc2cc(cnn12)C#N
COc1nc2c(OCC3CCC(=O)N3)cccc2cc1C(N)=O
COc1cc2c(OCC3CCC(=O)N3)cccc2nc1C(N)=O
CC[C@H]1C(COc2cccc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@H]1F |r|
COc1nc2c(OCC3CC(F)(F)C(=O)N3)cccc2cc1C(N)=O
CC[C@H]1C(COc2nccc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@H]1F |r|
O=C(CCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)N1CCC(CC1)c1cnn(c1NC(=O)c1cccc(n1)-c1cc[nH]c1)-c1ccccn1
O=C(CCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)N1CCC(CC1)c1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)n(n1)-c1ccccn1
O=C(CCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)N1CCC(CC1)c1cnn(c1NC(=O)c1cccc(n1)-c1cc[nH]c1)-c1ccccn1
O=C(CCCCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)N1CCC(CC1)c1cnn(c1NC(=O)c1cccc(n1)-c1cc[nH]c1)-c1ccccn1
CC(C)N1CCC(CC1)c1cc(NC(=O)c2cccc(c2)-c2ccn[nH]2)n(n1)-c1ccccn1
C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(c2)-c2ccn[nH]2)cc1
Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-1.54,;-8.38,-.77,;-8.38,.77,;-9.72,,;-7.05,-1.54,;-7.05,-3.08,;-5.72,-.77,;-4.38,-1.54,;-3.05,-.77,;-3.05,.77,;-1.72,-1.54,;-1.72,-3.08,;-.38,-3.85,;.95,-3.08,;.95,-1.54,;-.38,-.77,;-.38,.77,;.95,1.54,;.95,3.08,;2.29,3.85,;3.62,3.08,;3.62,1.54,;2.29,.77,;4.95,3.85,;5.11,5.38,;6.62,5.7,;7.39,4.37,;6.36,3.22,;2.29,-3.85,;2.45,-5.38,;3.95,-5.7,;4.72,-4.37,;6.23,-4.05,;6.71,-2.58,;5.67,-1.44,;4.17,-1.76,;3.69,-3.22,;8.21,-2.26,;9.72,-1.94,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](CC1)c1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,20.24,(-9.72,-1.54,;-8.38,-.77,;-8.38,.77,;-9.72,,;-7.05,-1.54,;-7.05,-3.08,;-5.72,-.77,;-4.38,-1.54,;-3.05,-.77,;-3.05,.77,;-1.72,-1.54,;-1.72,-3.08,;-.38,-3.85,;.95,-3.08,;.95,-1.54,;-.38,-.77,;-.38,.77,;.95,1.54,;.95,3.08,;2.29,3.85,;3.62,3.08,;3.62,1.54,;2.29,.77,;4.95,3.85,;5.11,5.38,;6.62,5.7,;7.39,4.37,;6.36,3.22,;2.29,-3.85,;2.45,-5.38,;3.95,-5.7,;4.72,-4.37,;6.23,-4.05,;6.71,-2.58,;5.67,-1.44,;4.17,-1.76,;3.69,-3.22,;8.21,-2.26,;9.72,-1.94,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1cnn(c1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.79,-1.54,;-8.46,-.77,;-8.46,.77,;-9.79,,;-7.12,-1.54,;-7.12,-3.08,;-5.79,-.77,;-4.46,-1.54,;-3.12,-.77,;-3.12,.77,;-1.79,-1.54,;-1.79,-3.08,;-.45,-3.85,;.88,-3.08,;.88,-1.54,;-.45,-.77,;-.45,.77,;.88,1.54,;.88,3.08,;2.21,3.85,;3.55,3.08,;3.55,1.54,;2.21,.77,;4.88,3.85,;5.04,5.38,;6.55,5.7,;7.32,4.37,;6.29,3.22,;8.85,4.21,;9.79,5.43,;9.45,2.79,;2.21,-3.85,;2.37,-5.38,;3.88,-5.7,;4.65,-4.37,;6.16,-4.05,;6.63,-2.58,;5.6,-1.44,;4.1,-1.76,;3.62,-3.22,;8.14,-2.26,;9.65,-1.94,)|
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Cn1cc(nn1)[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.26,9.13,wD:6.6,(8.92,4.21,;7.39,4.37,;6.36,3.22,;4.95,3.85,;5.11,5.38,;6.62,5.7,;3.62,3.08,;2.29,3.85,;.95,3.08,;.95,1.54,;2.29,.77,;3.62,1.54,;-.38,.77,;-.38,-.77,;.95,-1.54,;.95,-3.08,;-.38,-3.85,;-1.72,-3.08,;-1.72,-1.54,;-3.05,-.77,;-3.05,.77,;-4.38,-1.54,;-5.72,-.77,;-7.05,-1.54,;-7.05,-3.08,;-8.38,-.77,;-9.72,-1.54,;-8.38,.77,;-9.72,,;2.29,-3.85,;2.45,-5.38,;3.95,-5.7,;4.72,-4.37,;6.23,-4.05,;6.71,-2.58,;5.67,-1.44,;4.17,-1.76,;3.69,-3.22,;8.21,-2.26,;9.72,-1.94,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1cn(nn1)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-10.03,-1.54,;-8.7,-.77,;-8.7,.77,;-10.03,,;-7.36,-1.54,;-7.36,-3.08,;-6.03,-.77,;-4.7,-1.54,;-3.36,-.77,;-3.36,.77,;-2.03,-1.54,;-2.03,-3.08,;-.7,-3.85,;.64,-3.08,;.64,-1.54,;-.7,-.77,;-.7,.77,;.64,1.54,;.64,3.08,;1.97,3.85,;3.3,3.08,;3.3,1.54,;1.97,.77,;4.64,3.85,;6.05,3.22,;7.08,4.37,;6.31,5.7,;4.8,5.38,;8.61,4.21,;9.83,3.27,;10.03,4.79,;1.97,-3.85,;2.13,-5.38,;3.64,-5.7,;4.41,-4.37,;5.91,-4.05,;6.39,-2.58,;5.36,-1.44,;3.85,-1.76,;3.38,-3.22,;7.9,-2.26,;9.4,-1.94,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(CC1)c1ncn(n1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.72,-2.87,;-8.38,-2.1,;-7.05,-1.33,;-8.38,-.56,;-7.05,-2.87,;-7.05,-4.41,;-5.72,-2.1,;-4.38,-2.87,;-3.05,-2.1,;-3.05,-.56,;-1.72,-2.87,;-1.72,-4.41,;-.38,-5.18,;.95,-4.41,;.95,-2.87,;-.38,-2.1,;-.38,-.56,;.95,.21,;2.29,-.56,;3.62,.21,;3.62,1.75,;2.29,2.52,;.95,1.75,;4.95,2.52,;6.36,1.9,;7.39,3.04,;6.62,4.38,;5.11,4.06,;7.25,5.78,;6.34,7.03,;8.78,5.94,;2.29,-5.18,;2.45,-6.71,;3.95,-7.03,;4.72,-5.69,;6.23,-5.37,;6.71,-3.91,;5.67,-2.77,;4.17,-3.09,;3.69,-4.55,;8.21,-3.59,;9.72,-3.27,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1ncn(n1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-2.87,;-8.38,-2.1,;-7.05,-1.33,;-8.38,-.56,;-7.05,-2.87,;-7.05,-4.41,;-5.72,-2.1,;-4.38,-2.87,;-3.05,-2.1,;-3.05,-.56,;-1.72,-2.87,;-1.72,-4.41,;-.38,-5.18,;.95,-4.41,;.95,-2.87,;-.38,-2.1,;-.38,-.56,;.95,.21,;.95,1.75,;2.29,2.52,;3.62,1.75,;3.62,.21,;2.29,-.56,;4.95,2.52,;6.36,1.9,;7.39,3.04,;6.62,4.38,;5.11,4.06,;7.25,5.78,;6.34,7.03,;8.78,5.94,;2.29,-5.18,;2.45,-6.71,;3.95,-7.03,;4.72,-5.69,;6.23,-5.37,;6.71,-3.91,;5.67,-2.77,;4.17,-3.09,;3.69,-4.55,;8.21,-3.59,;9.72,-3.27,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1ccc(n1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-3.2,;-8.38,-2.43,;-8.38,-.89,;-9.72,-1.66,;-7.05,-3.2,;-7.05,-4.74,;-5.72,-2.43,;-4.38,-3.2,;-3.05,-2.43,;-3.05,-.89,;-1.72,-3.2,;-1.72,-4.74,;-.38,-5.51,;.95,-4.74,;.95,-3.2,;-.38,-2.43,;-.38,-.89,;.86,.02,;.7,1.55,;1.95,2.46,;3.36,1.83,;3.52,.3,;2.27,-.61,;4.6,2.73,;6.07,2.26,;6.97,3.5,;6.07,4.75,;4.6,4.27,;6.54,6.21,;5.51,7.36,;8.05,6.53,;2.29,-5.51,;2.45,-7.04,;3.95,-7.36,;4.72,-6.03,;6.23,-5.7,;6.71,-4.24,;5.67,-3.1,;4.17,-3.42,;3.69,-4.88,;8.21,-3.92,;9.72,-3.6,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1cc(cn1)C#N)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-3.36,;-8.38,-2.59,;-8.38,-1.05,;-9.72,-1.82,;-7.05,-3.36,;-7.05,-4.9,;-5.72,-2.59,;-4.38,-3.36,;-3.05,-2.59,;-3.05,-1.05,;-1.72,-3.36,;-1.72,-4.9,;-.38,-5.67,;.95,-4.9,;.95,-3.36,;-.38,-2.59,;-.38,-1.05,;.86,-.14,;.7,1.39,;1.95,2.29,;3.36,1.67,;3.52,.14,;2.27,-.77,;4.6,2.57,;4.6,4.11,;6.07,4.59,;6.97,3.34,;6.07,2.1,;6.54,6.05,;7.02,7.52,;2.29,-5.67,;2.45,-7.2,;3.95,-7.52,;4.72,-6.19,;6.23,-5.86,;6.71,-4.4,;5.67,-3.26,;4.17,-3.58,;3.69,-5.04,;8.21,-4.08,;9.72,-3.76,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1cc(F)cn1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-2.62,;-8.38,-1.85,;-8.38,-.31,;-9.72,-1.08,;-7.05,-2.62,;-7.05,-4.16,;-5.72,-1.85,;-4.38,-2.62,;-3.05,-1.85,;-3.05,-.31,;-1.72,-2.62,;-1.72,-4.16,;-.38,-4.93,;.95,-4.16,;.95,-2.62,;-.38,-1.85,;-.38,-.31,;.86,.59,;.7,2.12,;1.95,3.03,;3.36,2.4,;3.52,.87,;2.27,-.04,;4.6,3.31,;4.6,4.85,;6.07,5.32,;6.54,6.79,;6.97,4.08,;6.07,2.83,;2.29,-4.93,;2.45,-6.47,;3.95,-6.79,;4.72,-5.45,;6.23,-5.13,;6.71,-3.67,;5.67,-2.52,;4.17,-2.84,;3.69,-4.31,;8.21,-3.35,;9.72,-3.03,)|
Cc1cnn(c1)[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.26,9.13,wD:6.6,(6.54,6.79,;6.07,5.32,;6.97,4.08,;6.07,2.83,;4.6,3.31,;4.6,4.85,;3.36,2.4,;1.95,3.03,;.7,2.12,;.86,.59,;2.27,-.04,;3.52,.87,;-.38,-.31,;-.38,-1.85,;.95,-2.62,;.95,-4.16,;-.38,-4.93,;-1.72,-4.16,;-1.72,-2.62,;-3.05,-1.85,;-3.05,-.31,;-4.38,-2.62,;-5.72,-1.85,;-7.05,-2.62,;-7.05,-4.16,;-8.38,-1.85,;-9.72,-2.62,;-8.38,-.31,;-9.72,-1.08,;2.29,-4.93,;2.45,-6.47,;3.95,-6.79,;4.72,-5.45,;6.23,-5.13,;6.71,-3.67,;5.67,-2.52,;4.17,-2.84,;3.69,-4.31,;8.21,-3.35,;9.72,-3.03,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1cc(CC#N)cn1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-3.77,;-8.38,-3,;-8.38,-1.46,;-9.72,-2.23,;-7.05,-3.77,;-7.05,-5.31,;-5.72,-3,;-4.38,-3.77,;-3.05,-3,;-3.05,-1.46,;-1.72,-3.77,;-1.72,-5.31,;-.38,-6.08,;.95,-5.31,;.95,-3.77,;-.38,-3,;-.38,-1.46,;.86,-.55,;.7,.98,;1.95,1.88,;3.36,1.26,;3.52,-.28,;2.27,-1.18,;4.6,2.16,;4.6,3.7,;6.07,4.18,;6.54,5.64,;5.51,6.79,;4.48,7.93,;6.97,2.93,;6.07,1.69,;2.29,-6.08,;2.45,-7.61,;3.95,-7.93,;4.72,-6.6,;6.23,-6.28,;6.71,-4.81,;5.67,-3.67,;4.17,-3.99,;3.69,-5.45,;8.21,-4.49,;9.72,-4.17,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1nccc1C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-2.87,;-8.38,-2.1,;-8.38,-.56,;-9.72,-1.33,;-7.05,-2.87,;-7.05,-4.41,;-5.72,-2.1,;-4.38,-2.87,;-3.05,-2.1,;-3.05,-.56,;-1.72,-2.87,;-1.72,-4.41,;-.38,-5.18,;.95,-4.41,;.95,-2.87,;-.38,-2.1,;-.38,-.56,;.86,.34,;.7,1.87,;1.95,2.78,;3.36,2.15,;3.52,.62,;2.27,-.28,;4.6,3.06,;6.07,2.58,;6.97,3.83,;6.07,5.07,;4.6,4.6,;3.36,5.5,;1.95,4.88,;3.52,7.03,;2.29,-5.18,;2.45,-6.71,;3.95,-7.03,;4.72,-5.7,;6.23,-5.38,;6.71,-3.92,;5.67,-2.77,;4.17,-3.09,;3.69,-4.56,;8.21,-3.6,;9.72,-3.28,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1nc(cc1C(F)F)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-3.2,;-8.38,-2.43,;-8.38,-.89,;-9.72,-1.66,;-7.05,-3.2,;-7.05,-4.74,;-5.72,-2.43,;-4.38,-3.2,;-3.05,-2.43,;-3.05,-.89,;-1.72,-3.2,;-1.72,-4.74,;-.38,-5.51,;.95,-4.74,;.95,-3.2,;-.38,-2.43,;-.38,-.89,;.86,.02,;.7,1.55,;1.95,2.46,;3.36,1.83,;3.52,.3,;2.27,-.61,;4.6,2.73,;4.6,4.27,;6.07,4.75,;6.97,3.5,;6.07,2.26,;6.54,.79,;5.51,-.35,;8.05,.47,;6.54,6.21,;5.51,7.36,;8.05,6.53,;2.29,-5.51,;2.45,-7.04,;3.95,-7.36,;4.72,-6.03,;6.23,-5.7,;6.71,-4.24,;5.67,-3.1,;4.17,-3.42,;3.69,-4.88,;8.21,-3.92,;9.72,-3.6,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1cc(cn1)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-3.36,;-8.38,-2.59,;-8.38,-1.05,;-9.72,-1.82,;-7.05,-3.36,;-7.05,-4.9,;-5.72,-2.59,;-4.38,-3.36,;-3.05,-2.59,;-3.05,-1.05,;-1.72,-3.36,;-1.72,-4.9,;-.38,-5.67,;.95,-4.9,;.95,-3.36,;-.38,-2.59,;-.38,-1.05,;.86,-.14,;.7,1.39,;1.95,2.29,;3.36,1.67,;3.52,.14,;2.27,-.77,;4.6,2.57,;4.6,4.11,;6.07,4.59,;6.97,3.34,;6.07,2.1,;6.54,6.05,;5.51,7.2,;8.05,6.37,;7.02,7.52,;2.29,-5.67,;2.45,-7.2,;3.95,-7.52,;4.72,-6.19,;6.23,-5.86,;6.71,-4.4,;5.67,-3.26,;4.17,-3.58,;3.69,-5.04,;8.21,-4.08,;9.72,-3.76,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1ccnn1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-1.54,;-8.38,-.77,;-8.38,.77,;-9.72,,;-7.05,-1.54,;-7.05,-3.08,;-5.72,-.77,;-4.38,-1.54,;-3.05,-.77,;-3.05,.77,;-1.72,-1.54,;-1.72,-3.08,;-.38,-3.85,;.95,-3.08,;.95,-1.54,;-.38,-.77,;-.38,.77,;.95,1.54,;.95,3.08,;2.29,3.85,;3.62,3.08,;3.62,1.54,;2.29,.77,;4.95,3.85,;5.11,5.38,;6.62,5.7,;7.39,4.37,;6.36,3.22,;2.29,-3.85,;2.45,-5.38,;3.95,-5.7,;4.72,-4.37,;6.23,-4.05,;6.71,-2.58,;5.67,-1.44,;4.17,-1.76,;3.69,-3.22,;8.21,-2.26,;9.72,-1.94,)|
CC(C)(O)[C@H](F)CNC(=O)c3cnc(c1ccc2cc(C#N)cnn12)cc3N[C@@H]6CC[C@@H](n5cc(C4CC4)nn5)CC6
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1cc(nn1)C1COC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-3.24,;-8.38,-2.47,;-8.38,-.93,;-9.72,-1.7,;-7.05,-3.24,;-7.05,-4.78,;-5.72,-2.47,;-4.38,-3.24,;-3.05,-2.47,;-3.05,-.93,;-1.72,-3.24,;-1.72,-4.78,;-.38,-5.55,;.95,-4.78,;.95,-3.24,;-.38,-2.47,;-.38,-.93,;.95,-.16,;.95,1.38,;2.29,2.15,;3.62,1.38,;3.62,-.16,;2.29,-.93,;4.95,2.15,;5.11,3.68,;6.62,4,;7.39,2.67,;6.36,1.53,;7.25,5.41,;8.68,5.96,;8.13,7.4,;6.69,6.85,;2.29,-5.55,;2.45,-7.08,;3.95,-7.4,;4.72,-6.07,;6.23,-5.75,;6.71,-4.28,;5.67,-3.14,;4.17,-3.46,;3.69,-4.92,;8.21,-3.96,;9.72,-3.64,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1cc(nn1)C(N)=O)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-2.87,;-8.38,-2.1,;-8.38,-.56,;-9.72,-1.33,;-7.05,-2.87,;-7.05,-4.41,;-5.72,-2.1,;-4.38,-2.87,;-3.05,-2.1,;-3.05,-.56,;-1.72,-2.87,;-1.72,-4.41,;-.38,-5.18,;.95,-4.41,;.95,-2.87,;-.38,-2.1,;-.38,-.56,;.95,.21,;.95,1.75,;2.29,2.52,;3.62,1.75,;3.62,.21,;2.29,-.56,;4.95,2.52,;5.11,4.06,;6.62,4.38,;7.39,3.04,;6.36,1.9,;7.25,5.78,;8.78,5.94,;6.34,7.03,;2.29,-5.18,;2.45,-6.71,;3.95,-7.03,;4.72,-5.69,;6.23,-5.37,;6.71,-3.91,;5.67,-2.77,;4.17,-3.09,;3.69,-4.55,;8.21,-3.59,;9.72,-3.27,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1cc(nn1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-2.87,;-8.38,-2.1,;-8.38,-.56,;-9.72,-1.33,;-7.05,-2.87,;-7.05,-4.41,;-5.72,-2.1,;-4.38,-2.87,;-3.05,-2.1,;-3.05,-.56,;-1.72,-2.87,;-1.72,-4.41,;-.38,-5.18,;.95,-4.41,;.95,-2.87,;-.38,-2.1,;-.38,-.56,;.95,.21,;.95,1.75,;2.29,2.52,;3.62,1.75,;3.62,.21,;2.29,-.56,;4.95,2.52,;5.11,4.06,;6.62,4.38,;7.39,3.04,;6.36,1.9,;7.25,5.78,;8.78,5.94,;6.34,7.03,;2.29,-5.18,;2.45,-6.71,;3.95,-7.03,;4.72,-5.69,;6.23,-5.37,;6.71,-3.91,;5.67,-2.77,;4.17,-3.09,;3.69,-4.55,;8.21,-3.59,;9.72,-3.27,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1cnc(n1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-3.2,;-8.38,-2.43,;-8.38,-.89,;-9.72,-1.66,;-7.05,-3.2,;-7.05,-4.74,;-5.72,-2.43,;-4.38,-3.2,;-3.05,-2.43,;-3.05,-.89,;-1.72,-3.2,;-1.72,-4.74,;-.38,-5.51,;.95,-4.74,;.95,-3.2,;-.38,-2.43,;-.38,-.89,;.86,.02,;.7,1.55,;1.95,2.46,;3.36,1.83,;3.52,.3,;2.27,-.61,;4.6,2.73,;6.07,2.26,;6.97,3.5,;6.07,4.75,;4.6,4.27,;6.54,6.21,;5.51,7.36,;8.05,6.53,;2.29,-5.51,;2.45,-7.04,;3.95,-7.36,;4.72,-6.03,;6.23,-5.7,;6.71,-4.24,;5.67,-3.1,;4.17,-3.42,;3.69,-4.88,;8.21,-3.92,;9.72,-3.6,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1cnnc1C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-1.89,;-8.38,-1.12,;-8.38,.42,;-9.72,-.35,;-7.05,-1.89,;-7.05,-3.43,;-5.72,-1.12,;-4.38,-1.89,;-3.05,-1.12,;-3.05,.42,;-1.72,-1.89,;-1.72,-3.43,;-.38,-4.2,;.95,-3.43,;.95,-1.89,;-.38,-1.12,;-.38,.42,;.86,1.32,;.7,2.85,;1.95,3.76,;3.36,3.13,;3.52,1.6,;2.27,.7,;4.6,4.04,;4.6,5.58,;6.07,6.05,;6.97,4.81,;6.07,3.56,;6.54,2.1,;5.51,.95,;8.05,1.78,;2.29,-4.2,;2.45,-5.73,;3.95,-6.05,;4.72,-4.72,;6.23,-4.4,;6.71,-2.94,;5.67,-1.79,;4.17,-2.11,;3.69,-3.58,;8.21,-2.62,;9.72,-2.3,)|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)n1cnnn1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-1.54,;-8.38,-.77,;-8.38,.77,;-9.72,,;-7.05,-1.54,;-7.05,-3.08,;-5.72,-.77,;-4.38,-1.54,;-3.05,-.77,;-3.05,.77,;-1.72,-1.54,;-1.72,-3.08,;-.38,-3.85,;.95,-3.08,;.95,-1.54,;-.38,-.77,;-.38,.77,;.95,1.54,;.95,3.08,;2.29,3.85,;3.62,3.08,;3.62,1.54,;2.29,.77,;4.95,3.85,;6.36,3.22,;7.39,4.37,;6.62,5.7,;5.11,5.38,;2.29,-3.85,;2.45,-5.38,;3.95,-5.7,;4.72,-4.37,;6.23,-4.05,;6.71,-2.58,;5.67,-1.44,;4.17,-1.76,;3.69,-3.22,;8.21,-2.26,;9.72,-1.94,)|
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COCc1nnc(o1)[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:25.28,11.15,wD:8.8,(10.54,5.29,;9.01,5.45,;8.1,4.21,;6.57,4.37,;5.8,5.7,;4.29,5.38,;4.13,3.85,;5.54,3.22,;2.8,3.08,;1.47,3.85,;.13,3.08,;.13,1.54,;1.47,.77,;2.8,1.54,;-1.2,.77,;-1.2,-.77,;.13,-1.54,;.13,-3.08,;-1.2,-3.85,;-2.54,-3.08,;-2.54,-1.54,;-3.87,-.77,;-3.87,.77,;-5.2,-1.54,;-6.54,-.77,;-7.87,-1.54,;-7.87,-3.08,;-9.2,-.77,;-10.54,-1.54,;-9.2,.77,;-10.54,,;1.47,-3.85,;1.63,-5.38,;3.13,-5.7,;3.9,-4.37,;5.41,-4.05,;5.88,-2.58,;4.85,-1.44,;3.35,-1.76,;2.87,-3.22,;7.39,-2.26,;8.9,-1.94,)|
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CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1nc(co1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,(-9.72,-2.87,;-8.38,-2.1,;-8.38,-.56,;-9.72,-1.33,;-7.05,-2.87,;-7.05,-4.41,;-5.72,-2.1,;-4.38,-2.87,;-3.05,-2.1,;-3.05,-.56,;-1.72,-2.87,;-1.72,-4.41,;-.38,-5.18,;.95,-4.41,;.95,-2.87,;-.38,-2.1,;-.38,-.56,;.95,.21,;.95,1.75,;2.29,2.52,;3.62,1.75,;3.62,.21,;2.29,-.56,;4.95,2.52,;5.11,4.06,;6.62,4.38,;7.39,3.04,;6.36,1.9,;7.25,5.78,;6.34,7.03,;8.78,5.94,;2.29,-5.18,;2.45,-6.71,;3.95,-7.03,;4.72,-5.69,;6.23,-5.37,;6.71,-3.91,;5.67,-2.77,;4.17,-3.09,;3.69,-4.55,;8.21,-3.59,;9.72,-3.27,)|
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Cc1ncoc1[C@@H]1CCC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
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Cc1ncc(s1)[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.26,6.6,wD:9.13,(7.25,6.41,;6.62,5,;7.39,3.66,;6.36,2.52,;4.95,3.15,;5.11,4.68,;3.62,2.38,;3.62,.84,;2.29,.07,;.95,.84,;.95,2.38,;2.29,3.15,;-.38,.07,;-.38,-1.47,;.95,-2.24,;.95,-3.78,;-.38,-4.55,;-1.72,-3.78,;-1.72,-2.24,;-3.05,-1.47,;-3.05,.07,;-4.38,-2.24,;-5.72,-1.47,;-7.05,-2.24,;-7.05,-3.78,;-8.38,-1.47,;-9.72,-2.24,;-8.38,.07,;-9.72,-.7,;2.29,-4.55,;2.45,-6.08,;3.95,-6.41,;4.72,-5.07,;6.23,-4.75,;6.71,-3.29,;5.67,-2.14,;4.17,-2.46,;3.69,-3.93,;8.21,-2.97,;9.72,-2.65,)|
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CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)c1nncs1)-c1ccc2cc(cnn12)C#N |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)c1nnc(o1)C(F)F)-c1ccc2cc(cnn12)C#N |r|
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CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
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COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,6.5,wD:8.10,25.31,(11.64,3.78,;10.31,3.01,;8.97,3.78,;8.97,5.32,;7.64,3.01,;6.3,3.78,;4.97,3.01,;4.57,1.52,;3.09,1.92,;3.48,3.41,;1.75,1.15,;1.75,-.39,;3.09,-1.16,;3.09,-2.7,;1.75,-3.47,;.42,-2.7,;.42,-1.16,;-.92,-.39,;-1,1.15,;-2.48,1.55,;-3.32,.26,;-2.35,-.94,;-4.86,.18,;-5.56,-1.2,;-7.1,-1.28,;-7.94,.01,;-7.24,1.39,;-5.7,1.47,;-9.47,-.07,;-10.31,1.23,;-11.85,1.14,;-9.61,2.6,;4.42,-3.47,;4.58,-5,;6.09,-5.32,;6.86,-3.99,;8.36,-3.67,;8.84,-2.2,;7.81,-1.06,;6.3,-1.38,;5.83,-2.84,;10.34,-1.88,;11.85,-1.56,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC(C1)NC(C)=O)-c1ccc2cc(cnn12)C#N
COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |wU:23.25,5.4,wD:26.32,8.11,(9.46,5.62,;7.96,5.94,;6.93,4.8,;7.4,3.33,;5.42,5.12,;4.39,3.97,;4.87,2.51,;3.84,1.36,;2.33,1.68,;1.85,3.15,;2.88,4.29,;1.3,.54,;-.21,.86,;-.68,2.32,;-2.19,2.64,;-3.22,1.5,;-2.74,.04,;-1.24,-.28,;-.76,-1.75,;-1.67,-3,;-.76,-4.24,;.7,-3.77,;.7,-2.23,;1.95,-4.67,;3.36,-4.04,;4.6,-4.95,;4.44,-6.48,;3.03,-7.11,;1.79,-6.2,;5.69,-7.39,;7.09,-6.76,;8.34,-7.66,;7.25,-5.23,;-2.67,4.11,;-1.76,5.35,;-2.67,6.6,;-4.13,6.12,;-5.46,6.89,;-6.8,6.12,;-6.8,4.58,;-5.46,3.81,;-4.13,4.58,;-8.13,6.89,;-9.46,7.66,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCN2CCOC[C@@H]2C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCN2CCOC[C@H]2C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(NCC(C)(C)O)s1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1ncc(s1)C(=O)N1CC[C@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CCC[C@H]1CNC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CCC[C@@H]1CNC(C)=O)-c1ccc2cc(cnn12)C#N
COC(=O)N[C@H]1CCN(C1)C(=O)c1nnc(s1)-c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N
COC(=O)N[C@@H]1CCN(C1)C(=O)c1nnc(s1)-c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2C[C@H](C1)[C@@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@@H](C1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CCC[C@@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CCC[C@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(C)=O)-c1ccc2cnc(N[C@@H]3CCCC[C@@H]3N)nn12 |r,wU:18.23,33.35,38.42,wD:15.16,(5.45,-3.7,;4.12,-2.93,;4.12,-1.39,;2.79,-3.7,;2.79,-5.24,;4.12,-6.01,;4.12,-7.55,;2.79,-8.32,;1.45,-7.55,;1.45,-6.01,;.12,-5.24,;-.04,-3.71,;-1.55,-3.39,;-2.32,-4.73,;-1.29,-5.87,;-3.85,-4.89,;-4.75,-3.64,;-6.29,-3.8,;-6.91,-5.21,;-6.01,-6.45,;-4.48,-6.29,;-8.44,-5.37,;-9.35,-4.12,;-10.88,-4.28,;-8.72,-2.72,;5.45,-8.32,;5.62,-9.85,;7.12,-10.17,;7.89,-8.84,;9.4,-8.52,;9.87,-7.06,;8.84,-5.91,;9.32,-4.45,;10.83,-4.13,;11.86,-5.27,;13.36,-4.95,;13.84,-3.49,;12.81,-2.34,;11.3,-2.66,;10.27,-1.52,;7.34,-6.23,;6.86,-7.7,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1-c1nnc(s1)N1CCN2CCOC[C@H]2C1)-c1ccc2cc(cnn12)C#N |wU:30.33,8.10,wD:6.5,(-8.26,-6.1,;-7.35,-4.85,;-5.82,-5.01,;-5.19,-6.42,;-4.92,-3.76,;-3.38,-3.93,;-2.48,-2.68,;-.96,-2.44,;-1.2,-.92,;-2.72,-1.16,;-.29,.33,;-.92,1.73,;-2.45,1.9,;-3.08,3.3,;-2.17,4.55,;-.64,4.39,;-.01,2.98,;1.52,2.82,;2.29,1.49,;3.79,1.81,;3.95,3.34,;2.55,3.96,;5.29,4.11,;5.29,5.65,;6.62,6.42,;7.96,5.65,;9.29,6.42,;10.62,5.65,;10.62,4.11,;9.29,3.34,;7.96,4.11,;6.62,3.34,;-4.61,3.46,;-5.38,4.8,;-6.89,4.48,;-7.05,2.95,;-8.29,2.04,;-8.13,.51,;-6.72,-.12,;-5.48,.79,;-5.64,2.32,;-9.38,-.4,;-10.62,-1.3,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N |wU:24.27,27.29,29.34,6.5,wD:8.10,(9.68,6.64,;8.65,5.5,;7.14,5.82,;6.67,7.28,;6.11,4.67,;4.6,5,;3.57,3.85,;3.65,2.31,;2.12,2.23,;2.04,3.77,;1.09,1.09,;-.42,1.41,;-.9,2.87,;-2.4,3.19,;-3.43,2.05,;-2.96,.58,;-1.45,.26,;-.97,-1.2,;-1.88,-2.45,;-.97,-3.69,;.49,-3.22,;.49,-1.68,;1.74,-4.12,;1.46,-5.64,;2.47,-6.8,;4.01,-6.73,;4.92,-5.48,;4.51,-4,;3.09,-3.39,;4.3,-5.98,;5.55,-6.89,;6.95,-6.26,;8.2,-7.17,;7.11,-4.73,;-2.88,4.66,;-1.97,5.9,;-2.88,7.15,;-4.34,6.67,;-5.68,7.44,;-7.01,6.67,;-7.01,5.13,;-5.68,4.36,;-4.34,5.13,;-8.34,7.44,;-9.68,8.21,)|
C[C@@H](Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N)C#N |r|
COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N |wU:25.28,28.30,30.35,5.4,wD:8.11,(3.49,8.56,;3.97,7.1,;5.47,6.78,;6.5,7.92,;5.95,5.31,;4.92,4.17,;5.39,2.71,;4.36,1.56,;2.86,1.88,;2.38,3.35,;3.41,4.49,;1.83,.74,;.32,1.06,;-.16,2.52,;-1.66,2.84,;-2.69,1.7,;-2.22,.23,;-.71,-.09,;-.24,-1.55,;-1.14,-2.8,;-.24,-4.04,;1.23,-3.57,;1.23,-2.03,;2.48,-4.47,;2.2,-5.99,;3.21,-7.15,;4.75,-7.08,;5.66,-5.83,;5.25,-4.35,;3.83,-3.74,;5.04,-6.33,;6.29,-7.24,;7.69,-6.61,;8.94,-7.52,;7.85,-5.08,;-2.14,4.31,;-1.23,5.55,;-2.14,6.8,;-3.6,6.32,;-4.94,7.09,;-6.27,6.32,;-6.27,4.78,;-4.94,4.01,;-3.6,4.78,;-7.6,7.09,;-8.94,7.86,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(C)=O)-c1ccc2cc(cnn12)C#N |TLB:13:15:20.21.22:17.18|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1[C@H]2CC[C@@H]1C[C@H](C2)NC(C)=O)-c1ccc2cc(cnn12)C#N |TLB:13:15:20.21.22:17.18|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NS(C)(=O)=O)-c1ccc2cc(cnn12)C#N
COC(=O)N[C@H]1[C@H]2CC[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2N)-c1ccc2cc(cnn12)C#N
C[C@@H](Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(C)=O)-c1ccc2cnc(N[C@@H]3CCCC[C@@H]3N)nn12)C#N |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@H](NC(C)=O)[C@H](O)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@@H](NC(C)=O)[C@@H](O)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@H](NC(C)=O)[C@@H](O)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@@H](NC(C)=O)[C@H](O)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2(CCC1CC2)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2(C1)CCN(CC2)C(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2(CN(C2)C(C)=O)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2(C1)CCC(CC2)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(=O)NC12CCC(CC1)(CC2)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N
CC(=O)NC12CCC(CC1)(CC2)c1nnc(s1)-c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N
C[C@@H](Nc1cc(ncc1-c1nnc(s1)C12CCC(CC1)(CC2)NC(C)=O)-c1ccc2cc(cnn12)C#N)C#N |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@H]2C[C@@H]1C[C@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2C[C@H]1C[C@@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(=O)N1CCC2(CN(C2)c2nnc(s2)-c2cnc(cc2NC2COC2)-c2ccc3cc(cnn23)C#N)CC1
CC(=O)N1CCC2(CN(C2)c2nnc(s2)-c2cnc(cc2NC2CCOCC2)-c2ccc3cc(cnn23)C#N)CC1
C[C@@H](Nc1cc(ncc1-c1nnc(s1)N1CC2(C1)CCC(CC2)NC(C)=O)-c1ccc2cc(cnn12)C#N)C#N
CC(=O)NC1CCC2(CN(C2)c2nnc(s2)-c2cnc(cc2NC2COC2)-c2ccc3cc(cnn23)C#N)CC1
CC(=O)NC1CCC2(CN(C2)c2nnc(s2)-c2cnc(cc2NC2CCOCC2)-c2ccc3cc(cnn23)C#N)CC1
CC(C)Nc1cc(ncc1-c1nnc(s1)C(C)(C)O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@@H]1CC[C@H](CO1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2(C1)CCC(C)(O)CC2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C12CCC(CC1)(CO2)NC(C)=O)-c1ccc2cc(cnn12)C#N |(6.68,-16.72,;6.68,-18.26,;8.01,-19.03,;5.34,-19.03,;5.34,-20.57,;6.68,-21.34,;6.68,-22.88,;5.34,-23.65,;4.01,-22.88,;4.01,-21.34,;2.68,-20.57,;2.52,-19.04,;1.01,-18.72,;.24,-20.05,;1.27,-21.2,;-1.29,-20.21,;-1.92,-21.62,;-3.45,-21.78,;-4.35,-20.54,;-2.87,-20.93,;-2.78,-19.81,;-3.73,-19.13,;-2.2,-18.97,;-5.89,-20.7,;-6.79,-19.45,;-8.32,-19.61,;-6.17,-18.04,;8.01,-23.65,;8.17,-25.18,;9.68,-25.5,;10.45,-24.17,;11.96,-23.85,;12.43,-22.38,;11.4,-21.24,;9.89,-21.56,;9.42,-23.02,;13.94,-22.06,;15.44,-21.75,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@@H]1CC[C@@H](CO1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N
C[C@@H](Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N)C#N
CC(C)(O)C(=O)N[C@H]1[C@H]2CC[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@@H]1CC[C@H]1C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)C12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)[C@@H](C)O)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)[C@H](C)O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)[C@H]1C[C@](C)(O)C1)-c1ccc2cc(cnn12)C#N |wU:28.33,wD:26.29,28.32,17.19,20.21,22.26,(1.7,-4.68,;.45,-3.78,;-.96,-4.4,;.61,-2.25,;2.02,-1.62,;3.26,-2.52,;4.67,-1.9,;4.83,-.37,;3.58,.54,;2.18,-.09,;.93,.82,;.93,2.36,;-.53,2.83,;-1.44,1.59,;-.53,.34,;-2.98,1.59,;-3.65,.2,;-5.15,-.14,;-6.35,.82,;-6.35,2.36,;-5.15,3.32,;-3.65,2.98,;-6.15,1.59,;-7.69,1.59,;-8.46,.26,;-7.69,-1.08,;-10,.26,;-11.08,1.34,;-12.17,.26,;-13.51,1.03,;-13.51,-.51,;-11.08,-.83,;5.92,-2.8,;5.92,-4.34,;7.38,-4.82,;8.29,-3.57,;9.82,-3.41,;10.44,-2.01,;9.54,-.76,;8.01,-.92,;7.38,-2.33,;11.98,-1.84,;13.51,-1.68,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)[C@H]1C[C@@](C)(O)C1)-c1ccc2cc(cnn12)C#N |wU:26.29,28.33,wD:28.32,17.19,20.21,22.26,(1.7,-4.68,;.45,-3.78,;-.96,-4.4,;.61,-2.25,;2.02,-1.62,;3.26,-2.52,;4.67,-1.9,;4.83,-.37,;3.58,.54,;2.18,-.09,;.93,.82,;.93,2.36,;-.53,2.83,;-1.44,1.59,;-.53,.34,;-2.98,1.59,;-3.65,.2,;-5.15,-.14,;-6.35,.82,;-6.35,2.36,;-5.15,3.32,;-3.65,2.98,;-6.15,1.59,;-7.69,1.59,;-8.46,.26,;-7.69,-1.08,;-10,.26,;-11.08,-.83,;-12.17,.26,;-13.51,1.03,;-13.51,-.51,;-11.08,1.34,;5.92,-2.8,;5.92,-4.34,;7.38,-4.82,;8.29,-3.57,;9.82,-3.41,;10.44,-2.01,;9.54,-.76,;8.01,-.92,;7.38,-2.33,;11.98,-1.84,;13.51,-1.68,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)C1(C)COC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)C1(C)CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)N1CCN(C)CC1)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)C(C)(C)C(O)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)CNS(C)(=C)=O)-c1ccc2cc(cnn12)C#N
CC(=O)NC1CCC2(CN(C2)c2nnc(s2)-c2cnc(cc2NC2(C)COC2)-c2ccc3cc(cnn23)C#N)CC1
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)C1CCN(C)CC1)-c1ccc2cc(cnn12)C#N
CC(C)(O)C(=O)N[C@H]1[C@H]2CC[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)C1CN(C)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)C(=O)NS(C)(=C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)N1CCN(CC1)C(C)=O)-c1ccc2cc(cnn12)C#N |r|
COC(=O)N1CCN(CC1)C(=O)N[C@H]1[C@H]2CC[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)N1CCN(CC1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |wU:18.23,wD:15.16,(1.79,3.82,;2.19,2.33,;3.67,1.93,;1.1,1.24,;-.41,1.56,;-.89,3.03,;-2.39,3.35,;-3.42,2.2,;-2.95,.74,;-1.44,.42,;-.96,-1.05,;-1.87,-2.29,;-.96,-3.54,;.5,-3.06,;.5,-1.52,;1.75,-3.97,;1.58,-5.5,;2.83,-6.4,;4.24,-5.78,;4.4,-4.25,;3.15,-3.34,;5.48,-6.68,;6.89,-6.06,;7.05,-4.52,;8.14,-6.96,;9.67,-7.12,;8.76,-8.37,;-2.87,4.81,;-1.96,6.06,;-2.87,7.3,;-4.33,6.83,;-5.67,7.6,;-7,6.83,;-7,5.29,;-5.67,4.52,;-4.33,5.29,;-8.33,7.6,;-9.67,8.37,)|
COC(=O)N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N |wU:5.4,wD:8.11,(9.61,-7.04,;8.2,-7.66,;6.95,-6.76,;7.11,-5.23,;5.55,-7.39,;4.3,-6.48,;2.89,-7.11,;1.65,-6.2,;1.81,-4.67,;3.21,-4.04,;4.46,-4.95,;.56,-3.77,;-.9,-4.24,;-1.81,-3,;-.9,-1.75,;.56,-2.23,;-1.38,-.28,;-2.88,.04,;-3.36,1.5,;-2.33,2.64,;-.82,2.32,;-.35,.86,;1.16,.54,;2.25,1.63,;1.85,3.12,;3.74,1.23,;-2.81,4.11,;-1.9,5.35,;-2.81,6.6,;-4.27,6.12,;-5.6,6.89,;-6.94,6.12,;-6.94,4.58,;-5.6,3.81,;-4.27,4.58,;-8.27,6.89,;-9.61,7.66,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@@H]1CC[C@@H](CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |wU:15.16,18.23,(2.55,3.12,;2.95,1.63,;4.44,1.23,;1.86,.54,;.36,.86,;-.12,2.32,;-1.63,2.64,;-2.66,1.5,;-2.18,.04,;-.67,-.28,;-.2,-1.75,;-1.1,-3,;-.2,-4.24,;1.27,-3.77,;1.27,-2.23,;2.51,-4.67,;2.35,-6.2,;3.6,-7.11,;5,-6.48,;5.16,-4.95,;3.92,-4.04,;6.25,-7.39,;7.66,-6.76,;8.9,-7.66,;7.82,-5.23,;-2.1,4.11,;-1.2,5.35,;-2.1,6.6,;-3.57,6.12,;-4.9,6.89,;-6.23,6.12,;-6.23,4.58,;-4.9,3.81,;-3.57,4.58,;-7.57,6.89,;-8.9,7.66,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C1CCN(CC1)C(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C1CCN(CC1)C(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCNCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C1CC1C(C)(C)O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C1CCN(CC(F)F)CC1)-c1ccc2cc(cnn12)C#N
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |wU:22.24,6.5,wD:25.31,8.10,(9.68,6.8,;8.65,5.65,;7.14,5.97,;6.67,7.44,;6.11,4.83,;4.6,5.15,;3.57,4.01,;3.65,2.47,;2.12,2.39,;2.04,3.93,;1.09,1.24,;-.42,1.56,;-.9,3.03,;-2.4,3.35,;-3.43,2.2,;-2.96,.74,;-1.45,.42,;-.97,-1.05,;-1.88,-2.29,;-.97,-3.54,;.49,-3.06,;.49,-1.52,;1.74,-3.97,;3.14,-3.34,;4.39,-4.25,;4.23,-5.78,;2.82,-6.4,;1.57,-5.5,;5.47,-6.68,;6.88,-6.06,;7.04,-4.52,;8.13,-6.96,;9.66,-7.12,;8.75,-8.37,;-2.88,4.81,;-1.97,6.06,;-2.88,7.3,;-4.34,6.83,;-5.68,7.6,;-7.01,6.83,;-7.01,5.29,;-5.68,4.52,;-4.34,5.29,;-8.34,7.6,;-9.68,8.37,)|
O=C(N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N)C1CC1 |wU:3.2,wD:6.9,(7.05,-4.52,;6.89,-6.06,;5.48,-6.68,;4.24,-5.78,;2.83,-6.4,;1.58,-5.5,;1.75,-3.97,;3.15,-3.34,;4.4,-4.25,;.5,-3.06,;-.96,-3.54,;-1.87,-2.29,;-.96,-1.05,;.5,-1.52,;-1.44,.42,;-2.95,.74,;-3.42,2.2,;-2.39,3.35,;-.89,3.03,;-.41,1.56,;1.1,1.24,;2.13,2.39,;3.66,2.47,;3.58,4.01,;2.05,3.93,;-2.87,4.81,;-1.96,6.06,;-2.87,7.3,;-4.33,6.83,;-5.67,7.6,;-7,6.83,;-7,5.29,;-5.67,4.52,;-4.33,5.29,;-8.33,7.6,;-9.67,8.37,;8.14,-6.96,;9.67,-7.12,;8.76,-8.37,)|
CC(C)(O)C1CC1c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@H]2CC[C@@H]1[C@@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N |TLB:13:15:18.19:21|
CC(C)Nc1cc(ncc1-c1nnc(s1)C1CCN(CC1)C1COC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:18.23,wD:15.16,(-4.38,-5.29,;-2.87,-4.97,;-2.39,-3.51,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;1.13,-9.65,;.22,-10.9,;-1.24,-10.42,;-1.24,-8.88,;-2.49,-11.33,;-3.9,-10.7,;-5.14,-11.61,;-4.98,-13.14,;-3.57,-13.76,;-2.33,-12.86,;-6.23,-14.04,;-6.07,-15.58,;-4.66,-16.2,;-7.31,-16.48,;-7.15,-18.01,;-8.4,-18.92,;-9.8,-18.29,;-9.96,-16.76,;-8.72,-15.85,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;7.59,.24,;8.93,1.01,)|
CNC(=O)N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N |wU:5.4,wD:8.11,(9.61,-7.04,;8.2,-7.66,;6.95,-6.76,;7.11,-5.23,;5.55,-7.39,;4.3,-6.48,;2.89,-7.11,;1.65,-6.2,;1.81,-4.67,;3.21,-4.04,;4.46,-4.95,;.56,-3.77,;-.9,-4.24,;-1.81,-3,;-.9,-1.75,;.56,-2.23,;-1.38,-.28,;-2.88,.04,;-3.36,1.5,;-2.33,2.64,;-.82,2.32,;-.35,.86,;1.16,.54,;2.25,1.63,;1.85,3.12,;3.74,1.23,;-2.81,4.11,;-1.9,5.35,;-2.81,6.6,;-4.27,6.12,;-5.6,6.89,;-6.94,6.12,;-6.94,4.58,;-5.6,3.81,;-4.27,4.58,;-8.27,6.89,;-9.61,7.66,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1[C@H]2CC[C@@H]1[C@@H](C2)NC(C)=O)-c1ccc2cc(cnn12)C#N |TLB:13:15:20.21:17.18|
O=C(N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N)N1CCOCC1 |wU:3.2,wD:6.9,(6.49,-4.01,;6.33,-5.54,;4.92,-6.17,;3.68,-5.26,;2.27,-5.89,;1.02,-4.98,;1.19,-3.45,;2.59,-2.83,;3.84,-3.73,;-.06,-2.55,;-1.53,-3.02,;-2.43,-1.78,;-1.53,-.53,;-.06,-1.01,;-2,.93,;-3.51,1.25,;-3.98,2.72,;-2.95,3.86,;-1.45,3.54,;-.97,2.08,;.54,1.76,;1.57,2.9,;3.1,2.98,;3.02,4.52,;1.49,4.44,;-3.43,5.33,;-2.52,6.57,;-3.43,7.82,;-4.89,7.34,;-6.23,8.11,;-7.56,7.34,;-7.56,5.8,;-6.23,5.03,;-4.89,5.8,;-8.89,8.11,;-10.23,8.88,;7.58,-6.45,;8.98,-5.82,;10.23,-6.73,;10.07,-8.26,;8.66,-8.88,;7.41,-7.98,)|
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |wU:22.24,6.5,wD:25.31,8.10,(9.13,7.31,;8.1,6.17,;6.59,6.49,;6.11,7.95,;5.56,5.35,;4.05,5.67,;3.02,4.52,;3.1,2.98,;1.57,2.9,;1.49,4.44,;.54,1.76,;-.97,2.08,;-1.45,3.54,;-2.95,3.86,;-3.98,2.72,;-3.51,1.25,;-2,.93,;-1.53,-.53,;-2.43,-1.78,;-1.53,-3.02,;-.06,-2.55,;-.06,-1.01,;1.19,-3.45,;2.59,-2.83,;3.84,-3.73,;3.68,-5.26,;2.27,-5.89,;1.02,-4.98,;4.92,-6.17,;6.33,-5.54,;6.49,-4.01,;7.58,-6.45,;8.98,-5.82,;10.23,-6.73,;10.07,-8.26,;8.66,-8.88,;7.41,-7.98,;-3.43,5.33,;-2.52,6.57,;-3.43,7.82,;-4.89,7.34,;-6.23,8.11,;-7.56,7.34,;-7.56,5.8,;-6.23,5.03,;-4.89,5.8,;-8.89,8.11,;-10.23,8.88,)|
CC(=O)N[C@H]1[C@H]2CC[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC1(C)COC1)-c1ccc2cc(cnn12)C#N
CC1(COC1)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)O2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@@H]2O)-c1ccc2cc(cnn12)C#N
CC(=O)NC1CCN(CC1(F)F)c1nnc(s1)-c1cnc(cc1NC1(C)COC1)-c1ccc2cc(cnn12)C#N
C[C@@H](Nc1cc(ncc1-c1nnc(s1)C1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N)C#N |r,TLB:12:14:21:17.18|
CC1(COC1)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@@H]2O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N
C[C@@H](Nc1cc(ncc1-c1nnc(s1)N1CC[C@@H](NC(C)=O)C(F)(F)C1)-c1ccc2cc(cnn12)C#N)C#N
C[C@@H](Nc1cc(ncc1-c1nnc(s1)N1CC[C@H](NC(C)=O)C(F)(F)C1)-c1ccc2cc(cnn12)C#N)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@]2(C)O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@@]2(C)NC(C)=O)-c1ccc2cc(cnn12)C#N
O=C(N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N)C1CC1 |wU:3.2,wD:6.9,(7.05,-4.52,;6.89,-6.06,;5.48,-6.68,;4.24,-5.78,;2.83,-6.4,;1.58,-5.5,;1.75,-3.97,;3.15,-3.34,;4.4,-4.25,;.5,-3.06,;-.96,-3.54,;-1.87,-2.29,;-.96,-1.05,;.5,-1.52,;-1.44,.42,;-2.95,.74,;-3.42,2.2,;-2.39,3.35,;-.89,3.03,;-.41,1.56,;1.1,1.24,;2.13,2.39,;3.63,2.07,;4.66,3.21,;4.19,4.68,;2.68,5,;1.65,3.85,;-2.87,4.81,;-1.96,6.06,;-2.87,7.3,;-4.33,6.83,;-5.67,7.6,;-7,6.83,;-7,5.29,;-5.67,4.52,;-4.33,5.29,;-8.33,7.6,;-9.67,8.37,;8.14,-6.96,;9.67,-7.12,;8.76,-8.37,)|
C[C@@H](Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@@]2(C)NC(C)=O)-c1ccc2cc(cnn12)C#N)C#N
CC1(COC1)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |wU:20.26,wD:17.19,(.07,.1,;1.57,-.22,;1.65,-1.76,;3.19,-1.68,;3.11,-.14,;1.1,1.24,;-.41,1.56,;-.89,3.03,;-2.39,3.35,;-3.42,2.2,;-2.95,.74,;-1.44,.42,;-.96,-1.05,;-1.87,-2.29,;-.96,-3.54,;.5,-3.06,;.5,-1.52,;1.75,-3.97,;1.58,-5.5,;2.83,-6.4,;4.24,-5.78,;4.4,-4.25,;3.15,-3.34,;5.48,-6.68,;6.89,-6.06,;7.05,-4.52,;8.14,-6.96,;9.67,-7.12,;8.76,-8.37,;-2.87,4.81,;-1.96,6.06,;-2.87,7.3,;-4.33,6.83,;-5.67,7.6,;-7,6.83,;-7,5.29,;-5.67,4.52,;-4.33,5.29,;-8.33,7.6,;-9.67,8.37,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2CCC(C1)C2(O)C(F)(F)F)-c1ccc2cc(cnn12)C#N |TLB:24:22:21.15.16:18.19,THB:23:22:21.15.16:18.19|
C[C@@H](Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N)C#N |wU:17.22,wD:1.0,14.15,(1.79,3.82,;2.19,2.33,;1.1,1.24,;-.41,1.56,;-.89,3.03,;-2.39,3.35,;-3.42,2.2,;-2.95,.74,;-1.44,.42,;-.96,-1.05,;-1.87,-2.29,;-.96,-3.54,;.5,-3.06,;.5,-1.52,;1.75,-3.97,;1.58,-5.5,;2.83,-6.4,;4.24,-5.78,;4.4,-4.25,;3.15,-3.34,;5.48,-6.68,;6.89,-6.06,;7.05,-4.52,;8.14,-6.96,;9.67,-7.12,;8.76,-8.37,;-2.87,4.81,;-1.96,6.06,;-2.87,7.3,;-4.33,6.83,;-5.67,7.6,;-7,6.83,;-7,5.29,;-5.67,4.52,;-4.33,5.29,;-8.33,7.6,;-9.67,8.37,;3.67,1.93,;5.16,1.53,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@H](O)C(F)(F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@@H](O)C(F)(F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2(C1)CNC(=O)C2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2(C1)CCNC2=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CCC[C@H](C1)[C@@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N |TLB:13:15:18.19.20:23|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CCC[C@H](C1)[C@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N |TLB:13:15:18.19.20:23|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCOC(F)(F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@@H](NC(C)=O)C(F)(F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@H](NC(C)=O)C(F)(F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2(C1)CCC(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(=O)N[C@H]1[C@H]2CC[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCC(O)(CC1)C(F)(F)F)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2C[C@H](C1)[C@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N
C[C@@H](Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2C[C@H](C1)[C@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N)C#N
CC(=O)N[C@H]1[C@H]2C[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC1(C)COC1)-c1ccc2cc(cnn12)C#N
CNc1cc(ncc1-c1nnc(s1)N1C[C@@H]2C[C@H](C1)[C@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N
N#Cc1cnn2c(ccc2c1)-c1cc(NC2CCOCC2)c(cn1)-c1nnc(s1)N1CC2CC(C1)O2
C[C@@H](Nc1cc(ncc1-c1nnc(s1)N1CC2CC(C1)O2)-c1ccc2cc(cnn12)C#N)C#N
CC(=O)N[C@H]1[C@H]2C[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N
C[C@@H](Nc1cc(ncc1-c1nnc(s1)N1CCC(C)(O)CC1)-c1ccc2cc(cnn12)C#N)C#N
CC1(COC1)Nc1cc(ncc1-c1nnc(s1)N1CCC(C)(O)CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(=O)N[C@@H]1CCN(CC1(F)F)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N
CC(=O)N[C@H]1[C@H]2CC[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@@](C)(O)[C@@H](F)C1)-c1ccc2cc(cnn12)C#N
CC1(O)CCN(CC1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N
CC1(O)CCN(CC1)c1nnc(s1)-c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCC(O)(CF)CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@](C)(O)[C@@H](F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@@](C)(O)[C@H](F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@](C)(O)[C@H](F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2COC[C@H](C1)C2NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C1(F)CCC(CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |(2.42,3.15,;2.89,1.68,;4.4,1.36,;1.86,.54,;.36,.86,;-.12,2.32,;-1.63,2.64,;-2.66,1.5,;-2.18,.04,;-.67,-.28,;-.2,-1.75,;-1.1,-3,;-.2,-4.24,;1.27,-3.77,;1.27,-2.23,;2.51,-4.67,;2.67,-3.14,;2.35,-6.2,;3.6,-7.11,;5,-6.48,;5.16,-4.95,;3.92,-4.04,;6.25,-7.39,;7.66,-6.76,;8.9,-7.66,;7.82,-5.23,;-2.1,4.11,;-1.2,5.35,;-2.1,6.6,;-3.57,6.12,;-4.9,6.89,;-6.23,6.12,;-6.23,4.58,;-4.9,3.81,;-3.57,4.58,;-7.57,6.89,;-8.9,7.66,)|
CC(=O)NC1CCC(F)(CC1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |(-11.57,-15.9,;-10.04,-15.7,;-9.46,-14.27,;-9.1,-16.92,;-7.57,-16.75,;-6.94,-15.35,;-5.41,-15.19,;-4.51,-16.43,;-4.11,-14.94,;-5.13,-17.84,;-6.67,-18,;-2.98,-16.27,;-2.21,-14.94,;-.7,-15.26,;-.54,-16.79,;-1.95,-17.42,;.8,-17.56,;.8,-19.1,;2.13,-19.87,;3.46,-19.1,;3.46,-17.56,;2.13,-16.79,;2.13,-15.25,;3.46,-14.48,;4.95,-14.88,;5.35,-13.39,;3.86,-12.99,;4.8,-19.87,;4.96,-21.4,;6.46,-21.72,;7.23,-20.39,;8.74,-20.07,;9.22,-18.6,;8.19,-17.46,;6.68,-17.78,;6.2,-19.24,;10.72,-18.28,;12.09,-18.01,)|
CC(C)Nc1cc(ncc1C1CCC(S1)c1ccc(NC(=O)C23C4C5C6C4C2C6C35)cc1)-c1ccc2cc(cnn12)C#N |(-2.5,14.98,;-2.5,13.44,;-1.16,12.67,;-3.83,12.67,;-5.16,13.44,;-5.16,14.98,;-6.5,15.75,;-7.83,14.98,;-7.83,13.44,;-6.5,12.67,;-6.5,11.13,;-7.74,10.22,;-7.27,8.76,;-5.73,8.76,;-5.25,10.22,;-4.82,7.51,;-3.29,7.67,;-2.39,6.42,;-3.01,5.02,;-2.17,3.73,;-2.86,2.35,;-4.4,2.27,;-2.02,1.07,;-.91,-.48,;.25,-.02,;-.86,-1.1,;-2.01,-1.56,;-3.12,-.01,;-1.97,.46,;-.87,1.53,;-4.54,4.86,;-5.45,6.1,;-6.5,17.29,;-5.25,18.19,;-5.73,19.66,;-7.27,19.66,;-8.3,20.8,;-9.81,20.48,;-10.28,19.02,;-9.25,17.87,;-7.74,18.19,;-10.84,21.62,;-11.87,22.77,)|
CC(=O)NC12CCC(CC1)(OC2)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |(7.31,6.79,;5.98,7.56,;5.98,9.1,;4.64,6.79,;4.64,5.25,;3.31,4.48,;3.31,2.94,;4.64,2.17,;5.98,2.94,;5.98,4.48,;4.01,3.13,;4.01,4.28,;4.64,.63,;5.89,-.28,;5.41,-1.74,;3.87,-1.74,;3.4,-.28,;2.97,-2.99,;1.44,-2.83,;.53,-4.07,;1.16,-5.48,;2.69,-5.64,;3.6,-4.4,;5.13,-4.56,;5.75,-5.96,;5.2,-7.4,;6.64,-7.95,;7.19,-6.52,;.25,-6.73,;.73,-8.19,;-.52,-9.1,;-1.76,-8.19,;-3.27,-8.51,;-4.3,-7.37,;-3.82,-5.9,;-2.32,-5.58,;-1.29,-6.73,;-5.81,-7.69,;-7.31,-8.01,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1C[C@@](C)(O)C1)-c1ccc2cc(cnn12)C#N |wU:17.20,15.16,wD:17.19,(4.1,2.96,;4.5,1.47,;5.99,1.08,;3.41,.39,;1.9,.71,;1.43,2.17,;-.08,2.49,;-1.11,1.35,;-.63,-.12,;.87,-.44,;1.35,-1.9,;.44,-3.15,;1.35,-4.39,;2.81,-3.92,;2.81,-2.38,;4.06,-4.82,;5.58,-4.58,;5.82,-6.1,;6.45,-7.51,;7.35,-6.27,;4.3,-6.35,;-.55,3.96,;.35,5.2,;-.55,6.45,;-2.02,5.97,;-3.35,6.74,;-4.69,5.97,;-4.69,4.43,;-3.35,3.66,;-2.02,4.43,;-6.02,6.74,;-7.35,7.51,)|
C[C@@]1(O)C[C@@H](C1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |wU:1.1,4.6,wD:1.0,(6.45,-7.51,;5.82,-6.1,;7.35,-6.27,;5.58,-4.58,;4.06,-4.82,;4.3,-6.35,;2.81,-3.92,;1.35,-4.39,;.44,-3.15,;1.35,-1.9,;2.81,-2.38,;.87,-.44,;-.63,-.12,;-1.11,1.35,;-.08,2.49,;1.43,2.17,;1.9,.71,;3.41,.39,;4.44,1.53,;5.98,1.61,;5.9,3.15,;4.36,3.07,;-.55,3.96,;.35,5.2,;-.55,6.45,;-2.02,5.97,;-3.35,6.74,;-4.69,5.97,;-4.69,4.43,;-3.35,3.66,;-2.02,4.43,;-6.02,6.74,;-7.35,7.51,)|
CC(=O)N[C@H]1C[C@@H](C1)c1nnc(s1)-c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N |wU:4.3,wD:6.8,(8.54,-7.4,;7.29,-6.49,;7.45,-4.96,;5.88,-7.12,;4.64,-6.22,;3.12,-6.46,;2.88,-4.94,;4.4,-4.69,;1.63,-4.03,;.17,-4.51,;-.74,-3.26,;.17,-2.01,;1.63,-2.49,;-.31,-.55,;-1.82,-.23,;-2.29,1.23,;-1.26,2.38,;.24,2.06,;.72,.59,;2.23,.27,;3.26,1.42,;4.76,1.1,;5.79,2.24,;5.32,3.71,;3.81,4.03,;2.78,2.88,;-1.74,3.84,;-.83,5.09,;-1.74,6.34,;-3.2,5.86,;-4.54,6.63,;-5.87,5.86,;-5.87,4.32,;-4.54,3.55,;-3.2,4.32,;-7.2,6.63,;-8.54,7.4,)|
CC(=O)N[C@H]1C[C@@H](C1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |wU:4.3,wD:6.8,(8.54,-7.4,;7.29,-6.49,;7.45,-4.96,;5.88,-7.12,;4.64,-6.22,;3.12,-6.46,;2.88,-4.94,;4.4,-4.69,;1.63,-4.03,;.17,-4.51,;-.74,-3.26,;.17,-2.01,;1.63,-2.49,;-.31,-.55,;-1.82,-.23,;-2.29,1.23,;-1.26,2.38,;.24,2.06,;.72,.59,;2.23,.27,;3.26,1.42,;4.8,1.5,;4.71,3.04,;3.18,2.96,;-1.74,3.84,;-.83,5.09,;-1.74,6.34,;-3.2,5.86,;-4.54,6.63,;-5.87,5.86,;-5.87,4.32,;-4.54,3.55,;-3.2,4.32,;-7.2,6.63,;-8.54,7.4,)|
O=C(N[C@H]1CC[C@H](CC1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N)C1CC1 |r,wU:3.2,6.9,(4.66,-15.93,;3.63,-17.08,;2.13,-16.76,;1.65,-15.29,;.14,-14.97,;-.33,-13.51,;.7,-12.36,;2.2,-12.68,;2.68,-14.15,;.22,-10.9,;-1.24,-10.42,;-1.24,-8.88,;.22,-8.41,;1.13,-9.65,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-4.41,-4.89,;-4.33,-3.36,;-2.79,-3.44,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;7.59,.24,;8.93,1.01,;4.11,-18.54,;5.25,-19.57,;3.79,-20.05,)|
C[C@]1(O)CCN(C[C@@H]1F)c1nnc(s1)-c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N
COC(=O)N[C@H]1CC[C@H](CC1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |wU:8.11,5.4,(9.61,-7.04,;8.2,-7.66,;6.95,-6.76,;7.11,-5.23,;5.55,-7.39,;4.3,-6.48,;2.89,-7.11,;1.65,-6.2,;1.81,-4.67,;3.21,-4.04,;4.46,-4.95,;.56,-3.77,;-.9,-4.24,;-1.81,-3,;-.9,-1.75,;.56,-2.23,;-1.38,-.28,;-2.88,.04,;-3.36,1.5,;-2.33,2.64,;-.82,2.32,;-.35,.86,;1.16,.54,;2.19,1.68,;3.73,1.76,;3.65,3.3,;2.11,3.22,;-2.81,4.11,;-1.9,5.35,;-2.81,6.6,;-4.27,6.12,;-5.6,6.89,;-6.94,6.12,;-6.94,4.58,;-5.6,3.81,;-4.27,4.58,;-8.27,6.89,;-9.61,7.66,)|
CC1(O)CCC(CC1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |(-9.98,-11.15,;-9.21,-9.81,;-10.3,-8.72,;-8.58,-8.41,;-7.05,-8.24,;-6.15,-9.49,;-6.77,-10.9,;-8.3,-11.06,;-4.62,-9.33,;-3.85,-8,;-2.34,-8.32,;-2.18,-9.85,;-3.58,-10.47,;-.84,-10.62,;-.84,-12.16,;.49,-12.93,;1.82,-12.16,;1.82,-10.62,;.49,-9.85,;.49,-8.31,;1.82,-7.54,;3.31,-7.94,;3.71,-6.45,;2.22,-6.05,;3.16,-12.93,;3.32,-14.46,;4.82,-14.78,;5.59,-13.45,;7.1,-13.13,;7.58,-11.66,;6.55,-10.52,;5.04,-10.84,;4.56,-12.3,;9.08,-11.34,;10.68,-11.03,)|
C[C@]1(O)CCN(C[C@@H]1F)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N
C[C@@]1(O)CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |wU:1.1,5.8,wD:1.0,(6.81,-7.78,;6.19,-6.37,;7.72,-6.53,;6.35,-4.84,;5.1,-3.93,;3.7,-4.56,;3.53,-6.09,;4.78,-7,;2.45,-3.65,;.98,-4.13,;.08,-2.88,;.98,-1.64,;2.45,-2.11,;.51,-.17,;-1,.15,;-1.47,1.61,;-.44,2.76,;1.06,2.44,;1.54,.97,;3.05,.65,;4.08,1.8,;5.61,1.88,;5.53,3.41,;4,3.33,;-.92,4.22,;-.01,5.47,;-.92,6.71,;-2.38,6.24,;-3.72,7.01,;-5.05,6.24,;-5.05,4.7,;-3.72,3.93,;-2.38,4.7,;-6.38,7.01,;-7.72,7.78,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1[C@H]2COC[C@@H]1C[C@H](C2)NC(C)=O)-c1ccc2cc(cnn12)C#N |TLB:13:15:17.18.19:21.22.23|
CC(C)(O)C(=O)N[C@H]1[C@H]2CC[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC1(C)COC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N[C@H]1C[C@H](O)C1)-c1ccc2cc(cnn12)C#N |wU:18.19,wD:20.22,(2.92,2.85,;3.32,1.36,;4.8,.96,;2.23,.27,;.72,.59,;.24,2.06,;-1.26,2.38,;-2.29,1.23,;-1.82,-.23,;-.31,-.55,;.17,-2.01,;-.74,-3.26,;.17,-4.51,;1.63,-4.03,;1.63,-2.49,;2.88,-4.94,;2.72,-6.47,;4.28,-4.31,;5.53,-5.21,;7.05,-4.97,;7.29,-6.49,;8.54,-7.4,;5.77,-6.74,;-1.74,3.84,;-.83,5.09,;-1.74,6.34,;-3.2,5.86,;-4.54,6.63,;-5.87,5.86,;-5.87,4.32,;-4.54,3.55,;-3.2,4.32,;-7.2,6.63,;-8.54,7.4,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CCC[C@@H]1CO)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N[C@@H]1C[C@H](O)C1)-c1ccc2cc(cnn12)C#N |wU:20.22,18.19,(2.92,2.85,;3.32,1.36,;4.8,.96,;2.23,.27,;.72,.59,;.24,2.06,;-1.26,2.38,;-2.29,1.23,;-1.82,-.23,;-.31,-.55,;.17,-2.01,;-.74,-3.26,;.17,-4.51,;1.63,-4.03,;1.63,-2.49,;2.88,-4.94,;2.72,-6.47,;4.28,-4.31,;5.53,-5.21,;5.77,-6.74,;7.29,-6.49,;8.54,-7.4,;7.05,-4.97,;-1.74,3.84,;-.83,5.09,;-1.74,6.34,;-3.2,5.86,;-4.54,6.63,;-5.87,5.86,;-5.87,4.32,;-4.54,3.55,;-3.2,4.32,;-7.2,6.63,;-8.54,7.4,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@@H](CO)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CCC[C@H]1CO)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N[C@H]1C[C@@](C)(O)C1)-c1ccc2cc(cnn12)C#N |wU:20.23,18.19,wD:20.22,(2.77,3.1,;3.17,1.61,;4.66,1.22,;2.08,.53,;.58,.85,;.1,2.31,;-1.4,2.63,;-2.44,1.49,;-1.96,.02,;-.45,-.3,;.02,-1.76,;-.88,-3.01,;.02,-4.26,;1.49,-3.78,;1.49,-2.24,;2.73,-4.68,;2.57,-6.22,;4.14,-4.06,;5.39,-4.96,;6.91,-4.72,;7.15,-6.24,;7.77,-7.65,;8.68,-6.4,;5.63,-6.48,;-1.88,4.09,;-.98,5.34,;-1.88,6.59,;-3.35,6.11,;-4.68,6.88,;-6.01,6.11,;-6.01,4.57,;-4.68,3.8,;-3.35,4.57,;-7.35,6.88,;-8.68,7.65,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N[C@H]1C[C@](C)(O)C1)-c1ccc2cc(cnn12)C#N |wU:20.22,18.19,wD:20.23,(2.77,3.1,;3.17,1.61,;4.66,1.22,;2.08,.53,;.58,.85,;.1,2.31,;-1.4,2.63,;-2.44,1.49,;-1.96,.02,;-.45,-.3,;.02,-1.76,;-.88,-3.01,;.02,-4.26,;1.49,-3.78,;1.49,-2.24,;2.73,-4.68,;2.57,-6.22,;4.14,-4.06,;5.39,-4.96,;6.91,-4.72,;7.15,-6.24,;7.77,-7.65,;8.68,-6.4,;5.63,-6.48,;-1.88,4.09,;-.98,5.34,;-1.88,6.59,;-3.35,6.11,;-4.68,6.88,;-6.01,6.11,;-6.01,4.57,;-4.68,3.8,;-3.35,4.57,;-7.35,6.88,;-8.68,7.65,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc2cc(cnn12)C#N |wU:18.19,wD:21.23,(2.55,3.12,;2.95,1.63,;4.44,1.23,;1.86,.54,;.36,.86,;-.12,2.32,;-1.63,2.64,;-2.66,1.5,;-2.18,.04,;-.67,-.28,;-.2,-1.75,;-1.1,-3,;-.2,-4.24,;1.27,-3.77,;1.27,-2.23,;2.51,-4.67,;2.35,-6.2,;3.92,-4.04,;5.16,-4.95,;6.57,-4.32,;7.82,-5.23,;7.66,-6.76,;8.9,-7.66,;6.25,-7.39,;5,-6.48,;-2.1,4.11,;-1.2,5.35,;-2.1,6.6,;-3.57,6.12,;-4.9,6.89,;-6.23,6.12,;-6.23,4.58,;-4.9,3.81,;-3.57,4.58,;-7.57,6.89,;-8.9,7.66,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@H](CO)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@H](C1)NC(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@@H](C1)NC(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N[C@@H]1CC[C@H](O)CC1)-c1ccc2cc(cnn12)C#N |wU:21.23,18.19,(2.55,3.12,;2.95,1.63,;4.44,1.23,;1.86,.54,;.36,.86,;-.12,2.32,;-1.63,2.64,;-2.66,1.5,;-2.18,.04,;-.67,-.28,;-.2,-1.75,;-1.1,-3,;-.2,-4.24,;1.27,-3.77,;1.27,-2.23,;2.51,-4.67,;2.35,-6.2,;3.92,-4.04,;5.16,-4.95,;5,-6.48,;6.25,-7.39,;7.66,-6.76,;8.9,-7.66,;7.82,-5.23,;6.57,-4.32,;-2.1,4.11,;-1.2,5.35,;-2.1,6.6,;-3.57,6.12,;-4.9,6.89,;-6.23,6.12,;-6.23,4.58,;-4.9,3.81,;-3.57,4.58,;-7.57,6.89,;-8.9,7.66,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CCC[C@H]1CN)-c1ccc2cc(cnn12)C#N |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CCC[C@@H]1CN)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2(CC(C2)NC(C)=O)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCN(CC1)C(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2CC(C1)O2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C2CC1COC2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2CCC(C1)O2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C2CCC1COC2)-c1ccc2cc(cnn12)C#N |THB:13:15:20.21.22:17.18|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@H]2C[C@@H]1CO2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2C[C@H]1CO2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@H]2[C@@H](C1)[C@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(=O)N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |wU:4.3,wD:7.10,(11.88,-4.32,;10.35,-4.48,;9.73,-5.88,;9.45,-3.23,;7.92,-3.39,;7.29,-4.8,;5.76,-4.96,;4.85,-3.71,;5.48,-2.31,;7.01,-2.15,;3.32,-3.87,;2.55,-5.21,;1.04,-4.89,;.88,-3.36,;2.29,-2.73,;-.45,-2.59,;-1.78,-3.36,;-3.12,-2.59,;-3.12,-1.05,;-1.78,-.28,;-.45,-1.05,;.88,-.28,;.88,1.26,;.25,2.23,;.25,3.38,;.88,4.34,;.88,5.88,;-.45,3.57,;-.45,2.03,;2.22,3.57,;2.22,2.03,;-4.45,-.28,;-4.61,1.25,;-6.12,1.58,;-6.89,.24,;-8.4,-.08,;-8.87,-1.54,;-7.84,-2.69,;-6.33,-2.37,;-5.86,-.9,;-10.38,-1.86,;-11.88,-2.18,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CCC[C@H]1CN)-c1ccc2cc(cnn12)C#N
CC(=O)N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1N[C@H]1C[C@@](C)(O)C1)-c1ccc2cc(cnn12)C#N |wU:24.28,22.24,4.3,wD:24.27,7.10,(8.9,-7.66,;7.66,-6.76,;7.82,-5.23,;6.25,-7.39,;5,-6.48,;3.6,-7.11,;2.35,-6.2,;2.51,-4.67,;3.92,-4.04,;5.16,-4.95,;1.27,-3.77,;-.2,-4.24,;-1.1,-3,;-.2,-1.75,;1.27,-2.23,;-.67,-.28,;-2.18,.04,;-2.66,1.5,;-1.63,2.64,;-.12,2.32,;.36,.86,;1.86,.54,;2.89,1.68,;2.81,3.22,;4.35,3.3,;4.67,4.81,;5.81,3.78,;4.43,1.76,;-2.1,4.11,;-1.2,5.35,;-2.1,6.6,;-3.57,6.12,;-4.9,6.89,;-6.23,6.12,;-6.23,4.58,;-4.9,3.81,;-3.57,4.58,;-7.57,6.89,;-8.9,7.66,)|
CC(=O)N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1N[C@@H]1CC[C@H](O)CC1)-c1ccc2cc(cnn12)C#N |wU:25.28,22.24,4.3,wD:7.10,(8.9,-7.66,;7.66,-6.76,;7.82,-5.23,;6.25,-7.39,;5,-6.48,;3.6,-7.11,;2.35,-6.2,;2.51,-4.67,;3.92,-4.04,;5.16,-4.95,;1.27,-3.77,;-.2,-4.24,;-1.1,-3,;-.2,-1.75,;1.27,-2.23,;-.67,-.28,;-2.18,.04,;-2.66,1.5,;-1.63,2.64,;-.12,2.32,;.36,.86,;1.86,.54,;2.89,1.68,;4.4,1.36,;5.43,2.51,;4.95,3.97,;5.98,5.12,;3.45,4.29,;2.42,3.15,;-2.1,4.11,;-1.2,5.35,;-2.1,6.6,;-3.57,6.12,;-4.9,6.89,;-6.23,6.12,;-6.23,4.58,;-4.9,3.81,;-3.57,4.58,;-7.57,6.89,;-8.9,7.66,)|
CC(=O)N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1N[C@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |wU:26.29,22.24,4.3,wD:7.10,(8.9,-7.66,;7.66,-6.76,;7.82,-5.23,;6.25,-7.39,;5,-6.48,;3.6,-7.11,;2.35,-6.2,;2.51,-4.67,;3.92,-4.04,;5.16,-4.95,;1.27,-3.77,;-.2,-4.24,;-1.1,-3,;-.2,-1.75,;1.27,-2.23,;-.67,-.28,;-2.18,.04,;-2.66,1.5,;-1.63,2.64,;-.12,2.32,;.36,.86,;1.86,.54,;2.89,1.68,;2.42,3.15,;3.45,4.29,;4.95,3.97,;5.43,2.51,;6.94,2.19,;4.4,1.36,;-2.1,4.11,;-1.2,5.35,;-2.1,6.6,;-3.57,6.12,;-4.9,6.89,;-6.23,6.12,;-6.23,4.58,;-4.9,3.81,;-3.57,4.58,;-7.57,6.89,;-8.9,7.66,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C12CC(C1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCC(C[C@@H]1C)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@@H](NC(C)=O)[C@@H](F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCC(NC(C)=O)C(F)(F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2(COC2)C1)-c1ccc2cc(cnn12)C#N
CC(=O)N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N |wU:4.3,wD:7.10,(8.9,-7.66,;7.66,-6.76,;7.82,-5.23,;6.25,-7.39,;5,-6.48,;3.6,-7.11,;2.35,-6.2,;2.51,-4.67,;3.92,-4.04,;5.16,-4.95,;1.27,-3.77,;-.2,-4.24,;-1.1,-3,;-.2,-1.75,;1.27,-2.23,;-.67,-.28,;-2.18,.04,;-2.66,1.5,;-1.63,2.64,;-.12,2.32,;.36,.86,;1.86,.54,;2.89,1.68,;4.4,1.36,;5.43,2.51,;4.95,3.97,;3.45,4.29,;2.42,3.15,;-2.1,4.11,;-1.2,5.35,;-2.1,6.6,;-3.57,6.12,;-4.9,6.89,;-6.23,6.12,;-6.23,4.58,;-4.9,3.81,;-3.57,4.58,;-7.57,6.89,;-8.9,7.66,)|
N#Cc1cnn2c(ccc2c1)-c1cc(NC2CCOCC2)c(cn1)-c1nnc(s1)N1CC2CCC(C1)O2
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCS(=O)(=O)CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2CC(C1)N2C(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2CCC(C1)N2C(C)=O)-c1ccc2cc(cnn12)C#N |TLB:23:22:21.15.16:18.19|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C2CCC1CN(C2)C(C)=O)-c1ccc2cc(cnn12)C#N |TLB:13:15:20.21.22:17.18|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C2CC1CN(C2)C(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCS(=N)(=O)CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2CCC(C1)N2C(=O)C1CC1)-c1ccc2cc(cnn12)C#N |TLB:23:22:21.15.16:18.19|
CC(=O)N1C2CCC1CN(C2)c1nnc(s1)-c1cnc(cc1NC1(C)COC1)-c1ccc2cc(cnn12)C#N |TLB:1:3:8.9.10:5.6|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2COC[C@H](C1)N2C(C)=O)-c1ccc2cc(cnn12)C#N |TLB:24:23:18.19.20:22.15.16|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1[C@H]2COC[C@@H]1CN(C2)C(C)=O)-c1ccc2cc(cnn12)C#N |TLB:13:15:17.18.19:21.22.23|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCN(C2CC12)C(C)=O)-c1ccc2cc(cnn12)C#N
CC(=O)N[C@H]1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1NC1(C)CCOCC1)-c1ccc2cc(cnn12)C#N |wU:4.3,wD:7.10,(8.9,-7.66,;7.66,-6.76,;7.82,-5.23,;6.25,-7.39,;5,-6.48,;3.6,-7.11,;2.35,-6.2,;2.51,-4.67,;3.92,-4.04,;5.16,-4.95,;1.27,-3.77,;-.2,-4.24,;-1.1,-3,;-.2,-1.75,;1.27,-2.23,;-.67,-.28,;-2.18,.04,;-2.66,1.5,;-1.63,2.64,;-.12,2.32,;.36,.86,;1.86,.54,;2.89,1.68,;1.39,2,;4.4,1.36,;5.43,2.51,;4.95,3.97,;3.45,4.29,;2.42,3.15,;-2.1,4.11,;-1.2,5.35,;-2.1,6.6,;-3.57,6.12,;-4.9,6.89,;-6.23,6.12,;-6.23,4.58,;-4.9,3.81,;-3.57,4.58,;-7.57,6.89,;-8.9,7.66,)|
CC(=O)N1[C@H]2COC[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N |TLB:1:3:5.6.7:9.10.11|
CC(=O)NC12CC(C1)(C2)c1nnc(s1)-c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2CC(C1)N2C(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N
CC(=O)N[C@H]1[C@H]2CC[C@@H]1CN(C2)c1nnc(s1)-c1cnc(cc1NC1(C)CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2CC(C1)N2C(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C2CC1CNC2)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C2CC1CN(C2)C(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C2CC1CN(C2)C(=O)CN=S(C)(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C2CC1CN(C2)C(=O)N1CCN(C)CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1C[C@@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N |wU:17.21,wD:15.16,(2.92,2.85,;3.32,1.36,;4.8,.96,;2.23,.27,;.72,.59,;.24,2.06,;-1.26,2.38,;-2.29,1.23,;-1.82,-.23,;-.31,-.55,;.17,-2.01,;-.74,-3.26,;.17,-4.51,;1.63,-4.03,;1.63,-2.49,;2.88,-4.94,;3.12,-6.46,;4.64,-6.22,;4.4,-4.69,;5.88,-7.12,;7.29,-6.49,;8.54,-7.4,;7.45,-4.96,;-1.74,3.84,;-.83,5.09,;-1.74,6.34,;-3.2,5.86,;-4.54,6.63,;-5.87,5.86,;-5.87,4.32,;-4.54,3.55,;-3.2,4.32,;-7.2,6.63,;-8.54,7.4,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@@H]1C[C@@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N |wU:15.16,17.21,(2.92,2.85,;3.32,1.36,;4.8,.96,;2.23,.27,;.72,.59,;.24,2.06,;-1.26,2.38,;-2.29,1.23,;-1.82,-.23,;-.31,-.55,;.17,-2.01,;-.74,-3.26,;.17,-4.51,;1.63,-4.03,;1.63,-2.49,;2.88,-4.94,;3.12,-6.46,;4.64,-6.22,;4.4,-4.69,;5.88,-7.12,;7.29,-6.49,;8.54,-7.4,;7.45,-4.96,;-1.74,3.84,;-.83,5.09,;-1.74,6.34,;-3.2,5.86,;-4.54,6.63,;-5.87,5.86,;-5.87,4.32,;-4.54,3.55,;-3.2,4.32,;-7.2,6.63,;-8.54,7.4,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C12CCC(CC1)(CC2)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1C[C@@H](C1)NC(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N |r,wU:15.16,wD:17.21,(.46,12.91,;-.88,13.68,;-.88,15.22,;-2.21,12.91,;-2.21,11.37,;-.88,10.6,;-.88,9.06,;-2.21,8.29,;-3.54,9.06,;-3.54,10.6,;-4.88,11.37,;-5.04,12.9,;-6.55,13.22,;-7.32,11.89,;-6.29,10.74,;-8.85,11.73,;-9.82,10.53,;-11.01,11.5,;-10.04,12.7,;-12.54,11.34,;-13.45,12.58,;-12.82,13.99,;-14.98,12.42,;-15.89,13.67,;-17.42,13.51,;-14.4,13.87,;-15.26,15.08,;.46,8.29,;.62,6.76,;2.12,6.44,;2.89,7.77,;4.4,8.09,;4.88,9.56,;3.85,10.7,;2.34,10.38,;1.86,8.92,;6.38,9.88,;7.89,10.2,)|
CNc1cc(ncc1-c1nnc(s1)[C@H]1C[C@@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N |wU:15.19,wD:13.14,(3.32,1.36,;2.23,.27,;.72,.59,;.24,2.06,;-1.26,2.38,;-2.29,1.23,;-1.82,-.23,;-.31,-.55,;.17,-2.01,;-.74,-3.26,;.17,-4.51,;1.63,-4.03,;1.63,-2.49,;2.88,-4.94,;3.12,-6.46,;4.64,-6.22,;4.4,-4.69,;5.88,-7.12,;7.29,-6.49,;8.54,-7.4,;7.45,-4.96,;-1.74,3.84,;-.83,5.09,;-1.74,6.34,;-3.2,5.86,;-4.54,6.63,;-5.87,5.86,;-5.87,4.32,;-4.54,3.55,;-3.2,4.32,;-7.2,6.63,;-8.54,7.4,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1C[C@@H](C1)NC1COC1)-c1ccc2cc(cnn12)C#N |r,wU:17.21,wD:15.16,(3.96,-6.18,;2.63,-5.41,;2.63,-3.87,;1.29,-6.18,;1.29,-7.72,;2.63,-8.49,;2.63,-10.03,;1.29,-10.8,;-.04,-10.03,;-.04,-8.49,;-1.37,-7.72,;-1.54,-6.19,;-3.04,-5.87,;-3.81,-7.2,;-2.78,-8.35,;-5.34,-7.36,;-6.54,-6.4,;-7.51,-7.59,;-6.31,-8.56,;-9.04,-7.75,;-9.96,-6.52,;-9.75,-5,;-11.27,-4.78,;-11.49,-6.3,;3.96,-10.8,;4.12,-12.33,;5.63,-12.65,;6.4,-11.32,;7.9,-11,;8.38,-9.53,;7.35,-8.39,;5.84,-8.71,;5.37,-10.18,;9.89,-9.21,;11.49,-8.88,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C12CCC(CC1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C1CC2CC1CC2NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC(C)(O)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCC(C)(O)CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C12CC(C1)(CC2)NC(C)=O)-c1ccc2cc(cnn12)C#N |(-4.86,6.1,;-5.77,4.85,;-7.3,5.01,;-5.14,3.44,;-3.61,3.28,;-2.7,4.53,;-1.17,4.37,;-.55,2.96,;-1.45,1.71,;-2.98,1.87,;-3.89,.63,;-5.43,.63,;-5.9,-.84,;-4.66,-1.74,;-3.41,-.84,;-4.66,-3.28,;-4.86,-4.65,;-3.89,-5.65,;-3.41,-4.19,;-5.43,-5.65,;-5.9,-4.19,;-2.98,-6.9,;-1.45,-6.74,;-.55,-7.98,;-.82,-5.33,;-.27,5.61,;-.74,7.08,;.5,7.98,;1.75,7.08,;3.26,7.4,;4.29,6.25,;3.81,4.79,;2.3,4.47,;1.27,5.61,;5.79,6.57,;7.3,6.89,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@@H]1C[C@H](CNC(C)=O)C1)-c1ccc2cc(cnn12)C#N |wU:15.16,17.19,(2.21,3.62,;2.61,2.13,;4.1,1.73,;1.52,1.04,;.02,1.36,;-.46,2.82,;-1.97,3.15,;-3,2,;-2.52,.54,;-1.01,.22,;-.54,-1.25,;-1.44,-2.49,;-.54,-3.74,;.93,-3.26,;.93,-1.72,;2.17,-4.17,;2.41,-5.69,;3.93,-5.45,;5.18,-6.36,;6.59,-5.73,;7.83,-6.63,;9.24,-6.01,;7.67,-8.17,;3.69,-3.93,;-2.44,4.61,;-1.54,5.86,;-2.44,7.1,;-3.91,6.63,;-5.24,7.4,;-6.57,6.63,;-6.57,5.09,;-5.24,4.32,;-3.91,5.09,;-7.91,7.4,;-9.24,8.17,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1C[C@H](CNC(C)=O)C1)-c1ccc2cc(cnn12)C#N |wU:17.19,wD:15.16,(2.21,3.62,;2.61,2.13,;4.1,1.73,;1.52,1.04,;.02,1.36,;-.46,2.82,;-1.97,3.15,;-3,2,;-2.52,.54,;-1.01,.22,;-.54,-1.25,;-1.44,-2.49,;-.54,-3.74,;.93,-3.26,;.93,-1.72,;2.17,-4.17,;2.41,-5.69,;3.93,-5.45,;5.18,-6.36,;6.59,-5.73,;7.83,-6.63,;9.24,-6.01,;7.67,-8.17,;3.69,-3.93,;-2.44,4.61,;-1.54,5.86,;-2.44,7.1,;-3.91,6.63,;-5.24,7.4,;-6.57,6.63,;-6.57,5.09,;-5.24,4.32,;-3.91,5.09,;-7.91,7.4,;-9.24,8.17,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2CCC(C2)C1)-c1ccc2cc(cnn12)C#N
CNc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2(CCO2)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC2CCCC(C2)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCC[C@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC(O)(C1)C(F)(F)F)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCCC(CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCC[C@@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2N(C)C(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2N1CCOC1=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2C[C@H]1CN2C(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@H]2C[C@@H]1CN2C(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCN(CC1)C1COC1)-c1ccc2cc(cnn12)C#N
CNC(=O)C1CCN(CC1)c1nnc(s1)-c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N
CNc1cc(ncc1-c1nnc(s1)N1CC[C@@H](NC(C)=O)C(F)(F)C1)-c1ccc2cc(cnn12)C#N
CNc1cc(ncc1-c1nnc(s1)N1CC[C@H](NC(C)=O)C(F)(F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1ncccn1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1ncccc1F)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCC(CC1)C#N)-c1ccc2cc(cnn12)C#N
CC(C)(O)C(=O)N[C@H]1CC[C@H](CC1)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |wU:10.13,7.6,(8.04,-8.43,;8.2,-6.9,;9.61,-6.27,;9.44,-7.8,;6.95,-5.99,;7.11,-4.46,;5.55,-6.62,;4.3,-5.72,;2.89,-6.34,;1.65,-5.44,;1.81,-3.9,;3.21,-3.28,;4.46,-4.18,;.56,-3,;-.9,-3.48,;-1.81,-2.23,;-.9,-.98,;.56,-1.46,;-1.38,.48,;-2.88,.8,;-3.36,2.27,;-2.33,3.41,;-.82,3.09,;-.35,1.63,;1.16,1.31,;2.19,2.45,;3.73,2.53,;3.65,4.07,;2.11,3.99,;-2.81,4.87,;-1.9,6.12,;-2.81,7.37,;-4.27,6.89,;-5.6,7.66,;-6.94,6.89,;-6.94,5.35,;-5.6,4.58,;-4.27,5.35,;-8.27,7.66,;-9.61,8.43,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@@H]1CC[C@@H](CC1)NC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N |wU:15.16,18.23,(1.85,3.88,;2.25,2.39,;3.74,2,;1.16,1.31,;-.35,1.63,;-.82,3.09,;-2.33,3.41,;-3.36,2.27,;-2.88,.8,;-1.38,.48,;-.9,-.98,;-1.81,-2.23,;-.9,-3.48,;.56,-3,;.56,-1.46,;1.81,-3.9,;1.65,-5.44,;2.89,-6.34,;4.3,-5.72,;4.46,-4.18,;3.21,-3.28,;5.55,-6.62,;6.95,-5.99,;7.11,-4.46,;8.2,-6.9,;8.04,-8.43,;9.61,-6.27,;9.44,-7.8,;-2.81,4.87,;-1.9,6.12,;-2.81,7.37,;-4.27,6.89,;-5.6,7.66,;-6.94,6.89,;-6.94,5.35,;-5.6,4.58,;-4.27,5.35,;-8.27,7.66,;-9.61,8.43,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)C1=CCC(CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |t:17|
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N |r,wU:15.16,wD:18.23,(1.54,7.3,;.21,8.07,;.21,9.61,;-1.13,7.3,;-1.13,5.76,;.21,4.99,;.21,3.45,;-1.13,2.68,;-2.46,3.45,;-2.46,4.99,;-3.79,5.76,;-3.95,7.29,;-5.46,7.61,;-6.23,6.28,;-5.2,5.13,;-7.76,6.12,;-8.39,4.71,;-9.92,4.55,;-10.82,5.79,;-10.2,7.2,;-8.67,7.36,;-12.36,5.63,;-12.94,4.21,;-14.47,4,;-12,2.99,;-12.58,1.56,;-14.11,1.36,;-11.64,.35,;-13.17,.14,;1.54,2.68,;1.7,1.15,;3.21,.83,;3.98,2.16,;5.49,2.48,;5.96,3.95,;4.93,5.09,;3.43,4.77,;2.95,3.31,;7.47,4.27,;9.04,4.65,)|
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N |wU:18.23,wD:15.16,(1.85,3.88,;2.25,2.39,;3.74,2,;1.16,1.31,;-.35,1.63,;-.82,3.09,;-2.33,3.41,;-3.36,2.27,;-2.88,.8,;-1.38,.48,;-.9,-.98,;-1.81,-2.23,;-.9,-3.48,;.56,-3,;.56,-1.46,;1.81,-3.9,;1.65,-5.44,;2.89,-6.34,;4.3,-5.72,;4.46,-4.18,;3.21,-3.28,;5.55,-6.62,;6.95,-5.99,;7.11,-4.46,;8.2,-6.9,;8.04,-8.43,;9.61,-6.27,;9.44,-7.8,;-2.81,4.87,;-1.9,6.12,;-2.81,7.37,;-4.27,6.89,;-5.6,7.66,;-6.94,6.89,;-6.94,5.35,;-5.6,4.58,;-4.27,5.35,;-8.27,7.66,;-9.61,8.43,)|
C[C@@H](Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N)C#N |r,wU:14.15,wD:17.22,1.0,(7.12,-7.5,;7.12,-9.04,;5.78,-9.81,;5.78,-11.35,;7.12,-12.12,;7.12,-13.66,;5.78,-14.43,;4.45,-13.66,;4.45,-12.12,;3.12,-11.35,;2.95,-9.82,;1.45,-9.5,;.68,-10.84,;1.71,-11.98,;-.85,-11,;-1.48,-12.4,;-3.01,-12.57,;-3.92,-11.32,;-3.29,-9.91,;-1.76,-9.75,;-5.45,-11.48,;-6.03,-12.91,;-5.09,-14.12,;-7.56,-13.11,;8.45,-14.43,;8.61,-15.97,;10.12,-16.29,;10.89,-14.95,;12.39,-14.63,;12.87,-13.17,;11.84,-12.02,;10.33,-12.34,;9.86,-13.81,;14.38,-12.85,;16.09,-12.48,;8.45,-9.81,;9.78,-10.58,)|
CCOC(=O)Cc1nnc(s1)-c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(CC(C)(C)O)s1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(CC#N)s1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C1CCOC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@H](NC(C)=O)C2(CC2)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1C[C@@H](NC(C)=O)C2(CC2)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)-n1cccn1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)-n1cnc(c1)C1CC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC(NC(C)=O)C(F)(F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC(C1)N1CCC(F)(F)C1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CCC[C@H]1CO)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)N1CC[C@@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N
CNC(=O)[C@@H]1CCCN1c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N
CC(C)Nc1cc(ncc1-c1nnc(s1)C1CCC(CC1)C#N)-c1ccc2cc(cnn12)C#N |(3.12,3.46,;3.6,2,;5.1,1.68,;2.57,.85,;1.06,1.17,;.58,2.64,;-.92,2.96,;-1.95,1.81,;-1.48,.35,;.03,.03,;.5,-1.44,;-.4,-2.68,;.5,-3.93,;1.97,-3.45,;1.97,-1.91,;3.21,-4.36,;4.62,-3.73,;5.87,-4.64,;5.71,-6.17,;4.3,-6.79,;3.05,-5.89,;6.95,-7.07,;8.2,-7.98,;-1.4,4.42,;-.49,5.67,;-1.4,6.91,;-2.86,6.44,;-4.2,7.21,;-5.53,6.44,;-5.53,4.9,;-4.2,4.13,;-2.86,4.9,;-6.86,7.21,;-8.2,7.98,)|
CC(=O)NC12CC(C1)(CC2)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |(-.59,-7.98,;-1.5,-6.74,;-.87,-5.33,;-3.03,-6.9,;-3.93,-5.65,;-4.9,-4.65,;-4.7,-3.28,;-3.46,-4.19,;-5.95,-4.19,;-5.47,-5.65,;-4.7,-1.74,;-5.95,-.84,;-5.47,.63,;-3.93,.63,;-3.46,-.84,;-3.03,1.87,;-1.5,1.71,;-.59,2.96,;-1.22,4.37,;-2.75,4.53,;-3.66,3.28,;-5.19,3.44,;-5.81,4.85,;-5.26,6.29,;-6.7,6.84,;-7.25,5.4,;-.31,5.61,;-.79,7.08,;.46,7.98,;1.7,7.08,;3.21,7.4,;4.24,6.25,;3.76,4.79,;2.26,4.47,;1.23,5.61,;5.75,6.57,;7.25,6.89,)|
CC(C)(O)C(=O)NC12CC(C1)(CC2)c1nnc(s1)-c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |(-1.22,-8.69,;-.59,-7.28,;.94,-7.12,;.31,-8.52,;-1.5,-6.03,;-.87,-4.63,;-3.03,-6.19,;-3.93,-4.95,;-4.9,-3.95,;-4.7,-2.58,;-3.46,-3.48,;-5.95,-3.48,;-5.47,-4.95,;-4.7,-1.04,;-5.95,-.13,;-5.47,1.33,;-3.93,1.33,;-3.46,-.13,;-3.03,2.58,;-1.5,2.42,;-.59,3.66,;-1.22,5.07,;-2.75,5.23,;-3.66,3.98,;-5.19,4.15,;-5.81,5.55,;-5.26,6.99,;-6.7,7.54,;-7.25,6.1,;-.31,6.32,;-.79,7.78,;.46,8.69,;1.7,7.78,;3.21,8.1,;4.24,6.96,;3.76,5.49,;2.26,5.17,;1.23,6.32,;5.75,7.28,;7.25,7.6,)|
CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)c1nnc(s1)-c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N
CC(C)Oc1cc2c(OC[C@@H]3CC(C(=O)N3)C3(O)COC3)nccc2cc1C(N)=O |r|
CC(C)(C)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|
CC(C)(C)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
CC(C)(C)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|
CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|
CC1(CC1)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
CC1(CC1)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1 |r|
CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1(C)CC1 |r|
CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|
CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|
CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1 |r|
CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCCC4(F)F)n3)n2c1 |r|
CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2c1 |r|
CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)n2c1 |r|
F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1(CC1)C(F)(F)F |r|
FC(F)(F)C1(CC1)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
FC(F)(F)C1(CC1)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
FC(F)(F)C1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|
F[C@H]1CCNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1(CC1)C(F)(F)F |r|
COc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|
CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(OC)cn12 |r|
COc1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|
F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(OC(F)(F)F)cn12 |r|
FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|
FC(F)Oc1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
FC(F)Oc1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
OC[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(OC(F)F)cn12 |r|
FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)F)n3)n2c1 |r|
Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(c1)C(F)F |r|
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(c1)C1CC1 |r|
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1 |r|
COc1cc2ncc(-c3cccc(N[C@H]4CCNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1 |r|
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(CC(C)(C)O)c1 |r|
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1 |r|
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(c1)C1CC1 |r|
COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1
COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(F)(F)F)c1
COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(C)c1
COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(c1)C(F)F |r|
OCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1 |r|
CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
COc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1CC1 |r|
FC(F)(F)[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1CC1 |r|
FC(F)[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1CC1 |r|
C1CC1c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|
FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|
CC1(C)CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F |r|
FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|
FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1 |r|
CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F |r|
FC(F)[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F |r|
C[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F |r|
FC(F)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
FC(F)c1ccc2ncc(-c3cccc(NC4CC5(C4)CCNC5)n3)n2c1 |(-6.48,3.83,;-5.15,3.06,;-5.15,1.52,;-3.81,3.83,;-3.81,5.37,;-2.48,6.14,;-1.14,5.37,;.32,5.85,;1.23,4.6,;.32,3.36,;1.09,2.02,;0,.93,;.4,-.55,;1.89,-.95,;2.98,.14,;4.46,-.26,;5.23,-1.6,;4.14,-2.68,;5.23,-3.77,;6.32,-2.68,;3.99,-4.68,;4.46,-6.14,;6,-6.14,;6.48,-4.68,;2.58,1.62,;-1.14,3.83,;-2.48,3.06,)|
FC(F)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
FC(F)c1ccc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2c1
CC(C)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
CC(C)Oc1ccn2c(cnc2c1)-c1cc(F)cc(N[C@H]2CNC[C@@H]2F)n1 |r|
CC(C)Oc1ccn2c(cnc2c1)-c1nc(N[C@H]2CNC[C@@H]2F)c(F)cc1F |r|
CC(C)Oc1ccn2c(cnc2c1)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r|
CC(C)Oc1ccn2c(cnc2c1)-c1ccnc(N[C@H]2CNCC[C@@H]2F)n1 |r|
CC(C)Oc1ccn2c(cnc2c1)-c1cncc(N[C@H]2CNC[C@@H]2F)n1 |r|
CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1)C(F)(F)F |r|
CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@@H]2CNC[C@H]2F)n1)C(F)(F)F |r|
CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r|
CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1Cl |r|
NC(=O)c1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
CNC(=O)c1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(OC3CC3)ccn12 |r|
FC(F)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
COc1cc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2cc1C(C)(C)O |r|
CC(C)(O)c1cn2c(cnc2cc1CO)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r|
CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F |r|
CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F |r|
CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1)C(F)(F)F |r|
F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(OC(F)(F)F)ccn12 |r|
F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)-c1ncc[nH]1 |r|
F[C@H]1CCNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)-c1ncc[nH]1 |r|
FC(F)COc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
CC(C)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1F |r|
CC1(CC1)c1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(Cl)ccn12 |r|
F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)C1CC1 |r|
CN1CC[C@H]2C[C@H]1C(=O)NCCCOc1c(ccc3ncc(N2)nc13)-c1ccns1
CN1CC[C@H]2C[C@H]1C(=O)NCCCOc1c(ccc3ncc(N2)nc13)-c1cnc(COCC2CC2)nc1
CN1CC[C@H]2C[C@H]1C(=O)NCC1(CC1)COc1c(ccc3ncc(N2)nc13)-c1cnc(CO)s1
CN1CC[C@H]2C[C@H]1C(=O)NCC(F)(F)COc1c(ccc3ncc(N2)nc13)-c1cnc(CO)s1
CN1CC[C@H]2C[C@H]1C(=O)NCC1(CC1)COc1c(ccc3ncc(N2)nc13)-c1cncnc1
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCC(F)(F)COc1c2n3
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCC4(CC4)COc1c2n3
CN1CC[C@H]2C[C@H]1C(=O)NCCCOc1c(ccc3ncc(N2)nc13)-c1cnc(C)nc1
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCC(F)COc1c2n3
CN1CC[C@H]2C[C@H]1C(=O)NCC1(CC1)COc1c(ccc3ncc(N2)nc13)-c1cnc(C)nc1
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)OCC(F)COc1c2n3
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCCCOc1c2n3
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCCCCCOc1c2n3
CN1CC[C@H]2C[C@H]1C(=O)NCC(F)(F)COc1c(ccc3ncc(N2)nc13)-c1cncnc1
CN1CC[C@H]2C[C@H]1C(=O)NCC(F)(F)COc1c(ccc3ncc(N2)nc13)-c1cnc(C)nc1
CN1CC[C@H]2C[C@H]1C(=O)NCCCOc1c(ccc3ncc(N2)nc13)-c1cncnc1
CN1CC[C@H]2C[C@H]1C(=O)NCC1(CCC1)COc1c(ccc3ncc(N2)nc13)-c1cncnc1
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)N4CCCC4CCCOc1c2n3
CN1CC[C@H]2C[C@H]1C(=O)NCCCCOc1c(ccc3ncc(N2)nc13)-c1cncnc1
CN1CC[C@H]2C[C@H]1C(=O)NCCCOc1c(ccc3ncc(N2)nc13)-c1cnc(CO)s1
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCC(F)CCOc1c2n3
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCC(C)CCOc1c2n3
CN1CC[C@H]2C[C@H]1C(=O)NCCCOc1c(ccc3ncc(N2)nc13)-c1cnc(CO)nc1
CN1CC[C@H]2C[C@H]1C(=O)NCCCOc1c(ccc3ncc(N2)nc13)-c1cnc(COC2CCC2)nc1
CN1CC[C@H]2C[C@H]1C(=O)OCC1(CC1)COc1c(ccc3ncc(N2)nc13)-c1cnc(C)nc1
CN1CC[C@H]2C[C@H]1C(=O)NCCCOc1c(ccc3ncc(N2)nc13)-c1cnsc1
CN1CC[C@H]2C[C@H]1C(=O)N(C)CCCOc1c(ccc3ncc(N2)nc13)-c1cncnc1
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)OCCCOc1c2n3
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(CC)[C@@H](C4)C(=O)NCCCOc1c2n3
CCN1CC[C@H]2C[C@H]1C(=O)NCCCOc1c(ccc3ncc(N2)nc13)-c1cnc(CO)s1
CC1CNC(=O)[C@@H]2C[C@H](CCN2C)Nc2cnc3ccc(-c4cncnc4)c(OC1)c3n2
CCC(O)COCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCCCOc1c2n3
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCC(CC)CCOc1c2n3
CN1CC[C@H]2C[C@H]1C(=O)N(C)CCCOc1c(ccc3ncc(N2)nc13)-c1cnc(CO)s1
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)N(C)CCCOc1c2n3
CN1CC[C@H]2C[C@H]1C(=O)NCC(F)COc1c(ccc3ncc(N2)nc13)-c1cnc(C)nc1
CN1CC[C@H]2C[C@H]1C(=O)NCCCCCOc1c(ccc3ncc(N2)nc13)-c1cncnc1
CN1CC[C@H]2C[C@H]1C(=O)OCC(F)COc1c(ccc3ncc(N2)nc13)-c1cnc(C)nc1
CN1CC[C@H]2C[C@H]1C(=O)NCC(C)(C)COc1c(ccc3ncc(N2)nc13)-c1cncnc1
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(CC)[C@@H](C4)C(=O)NCC(F)COc1c2c3
CN1CC[C@H]2C[C@H]1C(=O)N(C)CCCOc1c(ccc3ncc(N2)nc13)-c1cnc(C)nc1
OCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN[C@@H](C4)C(=O)OCCCOc1c2c3
CN1CC[C@H]2C[C@H]1C(=O)NCC1(CCC1)COc1c(ccc3ncc(N2)nc13)-c1cnc(CO)s1
CC(C)N1CC[C@H]2C[C@H]1C(=O)NCC(F)COc1c(ccc3ncc(N2)cc13)-c1cnc(C)nc1
COCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCCCOc1c2n3
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)OCC(F)COc1c2c3
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CC(C)N(C)[C@@H](C4)C(=O)NCC(F)COc1c2c3
CN1CC[C@H]2C[C@H]1C(=O)OCCCOc1c(ccc3ncc(N2)cc13)-c1cnc(CO)nc1
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCC(F)COc1c2c3
CN1CC[C@H]2C[C@H]1C(=O)NCC(F)COc1c(ccc3ncc(N2)cc13)-c1cnc(C)nc1
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN[C@@H](C4)C(=O)OCCCOc1c2c3
CC1C[C@H]2C[C@H](N1C)C(=O)NCC\C=C\c1c(ccc3ncc(N2)cc13)-c1cnc(C)nc1 |t:14|
CN1CC[C@H]2C[C@H]1C(=O)OCCCOc1c(ccc3ncc(N2)cc13)-c1cnc(COCC(O)C2CC2)nc1
Cc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN[C@@H](C4)C(=O)OCCCOc1c2c3
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN[C@@H](C4)C(=O)OCCCOc1c2c3
CN1CC[C@H]2C[C@H]1C(=O)OCC1(CC1)COc1c(ccc3ncc(N2)cc13)-c1cnc(C)nc1
CN1CC[C@H]2C[C@H]1C(=O)OCCCOc1c(ccc3ncc(N2)cc13)-c1cnc(C)nc1
CC1CC2CC(N1C)C(=O)OCCCOc1c(ccc3ncc(N2)cc13)-c1cnc(C)nc1
CN1CC[C@H]2C[C@H]1C(=O)NCCCOc1c(ccc3ncc(N2)cc13)-c1cnc(C)nc1
CCC(O)COCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)OCCCOc1c2c3
CN1CCC2CC1(C)C(=O)NCC(F)COc1c(ccc3ncc(N2)cc13)-c1cnc(C)nc1
CC1C[C@H]2C[C@H](N1C)C(=O)NCC(F)COc1c(ccc3ncc(N2)cc13)-c1cnc(C)nc1
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)NCCCCc1c2c3
CCCOCc1ncc(cn1)-c1ccc2ncc3N[C@H]4CCN(C)[C@@H](C4)C(=O)OCCCOc1c2c3
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(Br)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(Br)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC(C)(C)O)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3(O)CCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC(C)(C)CO)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCN3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCCN3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3(O)CCCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3(O)CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCC3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3(O)CCN(CC3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3(O)CCNCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3(O)CCN(C)CC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
COC(=O)N1CCC(CC1)C#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3CCNCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3CCN(C)CC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3CCN(CC3)C(C)C)c2cc1C(N)=O |r|
CCO[C@H]1CC[C@@H](CC1)C#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:17.17,6.9,wD:3.2,(-11.09,-.71,;-9.55,-.71,;-8.78,-2.04,;-7.24,-2.04,;-6.47,-3.38,;-4.93,-3.38,;-4.16,-2.04,;-4.93,-.71,;-6.47,-.71,;-2.62,-2.04,;-1.08,-2.04,;.46,-2.04,;1.23,-3.38,;2.77,-3.38,;3.54,-2.04,;5.08,-2.04,;5.85,-3.38,;7.39,-3.38,;8.29,-4.62,;9.76,-4.15,;9.76,-2.61,;11.09,-1.84,;8.29,-2.13,;2.77,-.71,;3.54,.62,;2.77,1.96,;3.54,3.29,;5.08,3.29,;5.85,4.62,;5.85,1.96,;1.23,1.96,;.46,.62,;1.23,-.71,;.46,3.29,;1.23,4.62,;-1.08,3.29,)|
CCO[C@H]1CC[C@H](CC1)C#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:17.17,6.9,3.2,(-11.09,-.71,;-9.55,-.71,;-8.78,-2.04,;-7.24,-2.04,;-6.47,-.71,;-4.93,-.71,;-4.16,-2.04,;-4.93,-3.38,;-6.47,-3.38,;-2.62,-2.04,;-1.08,-2.04,;.46,-2.04,;1.23,-3.38,;2.77,-3.38,;3.54,-2.04,;5.08,-2.04,;5.85,-3.38,;7.39,-3.38,;8.29,-4.62,;9.76,-4.15,;9.76,-2.61,;11.09,-1.84,;8.29,-2.13,;2.77,-.71,;3.54,.62,;2.77,1.96,;3.54,3.29,;5.08,3.29,;5.85,4.62,;5.85,1.96,;1.23,1.96,;.46,.62,;1.23,-.71,;.46,3.29,;1.23,4.62,;-1.08,3.29,)|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#C[C@H]3CC[C@](C)(O)CC3)c2cc1C(N)=O |r,wU:10.9,21.21,24.25,wD:24.26,(4.59,4.62,;3.82,3.29,;4.59,1.96,;2.28,3.29,;1.51,1.96,;2.28,.62,;1.51,-.71,;2.28,-2.04,;3.82,-2.04,;4.59,-3.38,;6.13,-3.38,;7.04,-4.62,;8.5,-4.15,;8.5,-2.61,;9.83,-1.84,;7.04,-2.13,;1.51,-3.38,;-.03,-3.38,;-.8,-2.04,;-2.34,-2.04,;-3.88,-2.04,;-5.42,-2.04,;-6.19,-3.38,;-7.73,-3.38,;-8.5,-2.04,;-9.83,-2.81,;-9.83,-1.27,;-7.73,-.71,;-6.19,-.71,;-.03,-.71,;-.8,.62,;-.03,1.96,;-.8,3.29,;-.03,4.62,;-2.34,3.29,)|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#C[C@H]3CC[C@@](C)(O)CC3)c2cc1C(N)=O |r,wU:10.9,21.21,24.26,wD:24.25,(4.59,4.62,;3.82,3.29,;4.59,1.96,;2.28,3.29,;1.51,1.96,;2.28,.62,;1.51,-.71,;2.28,-2.04,;3.82,-2.04,;4.59,-3.38,;6.13,-3.38,;7.04,-4.62,;8.5,-4.15,;8.5,-2.61,;9.83,-1.84,;7.04,-2.13,;1.51,-3.38,;-.03,-3.38,;-.8,-2.04,;-2.34,-2.04,;-3.88,-2.04,;-5.42,-2.04,;-6.19,-3.38,;-7.73,-3.38,;-8.5,-2.04,;-9.83,-2.81,;-9.83,-1.27,;-7.73,-.71,;-6.19,-.71,;-.03,-.71,;-.8,.62,;-.03,1.96,;-.8,3.29,;-.03,4.62,;-2.34,3.29,)|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3CN(C3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3CNC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3CN(C)C3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CC3CN(C3)C(C)C)c2cc1C(N)=O |r|
COC(=O)N1CC(C1)C#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r|
CNC(=O)N1CC(C1)C#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r|
COC1(CC(C1)C#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O)OC |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#C[C@H]3C[C@H](C3)N(C)C)c2cc1C(N)=O |r,wU:10.9,21.21,23.26,(4.63,4.62,;3.86,3.29,;4.63,1.96,;2.32,3.29,;1.55,1.96,;2.32,.62,;1.55,-.71,;2.32,-2.04,;3.86,-2.04,;4.63,-3.38,;6.17,-3.38,;7.07,-4.62,;8.54,-4.15,;8.54,-2.61,;9.87,-1.84,;7.07,-2.13,;1.55,-3.38,;.01,-3.38,;-.76,-2.04,;-2.3,-2.04,;-3.84,-2.04,;-5.38,-2.04,;-6.47,-3.13,;-7.56,-2.04,;-6.47,-.96,;-9.1,-2.04,;-9.87,-3.38,;-9.87,-.71,;.01,-.71,;-.76,.62,;.01,1.96,;-.76,3.29,;.01,4.62,;-2.3,3.29,)|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)C3CC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)C3CCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)C3CCCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)C3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(CC4CCOCC4)c3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(CCC4CCOCC4)c3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(CCN4CCOCC4)c3)c2cc1C(N)=O |r|
CCO[C@H]1CC[C@@H](CC1)n1cc(cn1)-c1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:20.21,3.2,wD:6.9,(-10.86,-6.08,;-9.77,-4.99,;-8.28,-5.39,;-7.19,-4.3,;-7.59,-2.82,;-6.5,-1.73,;-5.02,-2.13,;-4.62,-3.61,;-5.71,-4.7,;-3.68,-1.36,;-2.22,-1.83,;-1.31,-.59,;-2.22,.66,;-3.68,.18,;.23,-.59,;1,-1.92,;2.54,-1.92,;3.31,-.59,;4.85,-.59,;5.62,-1.92,;7.16,-1.92,;8.06,-3.17,;9.53,-2.69,;9.53,-1.15,;10.86,-.38,;8.06,-.67,;2.54,.75,;3.31,2.08,;2.54,3.42,;3.31,4.75,;4.85,4.75,;5.62,6.08,;5.62,3.42,;1,3.42,;.23,2.08,;1,.75,;.23,4.75,;1,6.08,;-1.31,4.75,)|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)[C@H]3CC[C@](C)(O)CC3)c2cc1C(N)=O |r,wU:10.9,24.25,27.29,wD:27.30,(4.53,5.94,;3.76,4.6,;4.53,3.27,;2.22,4.6,;1.45,3.27,;2.22,1.94,;1.45,.6,;2.22,-.73,;3.76,-.73,;4.53,-2.07,;6.07,-2.07,;6.97,-3.31,;8.44,-2.84,;8.44,-1.3,;9.77,-.53,;6.97,-.82,;1.45,-2.07,;-.09,-2.07,;-.86,-.73,;-2.4,-.73,;-3.31,.51,;-4.77,.04,;-4.77,-1.5,;-3.31,-1.98,;-6.11,-2.27,;-5.71,-3.76,;-6.8,-4.85,;-8.28,-4.45,;-8.68,-5.94,;-9.77,-4.85,;-8.68,-2.96,;-7.59,-1.87,;-.09,.6,;-.86,1.94,;-.09,3.27,;-.86,4.6,;-.09,5.94,;-2.4,4.6,)|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)[C@H]3CC[C@@](C)(O)CC3)c2cc1C(N)=O |r,wU:10.9,24.25,27.30,wD:27.29,(4.53,5.94,;3.76,4.6,;4.53,3.27,;2.22,4.6,;1.45,3.27,;2.22,1.94,;1.45,.6,;2.22,-.73,;3.76,-.73,;4.53,-2.07,;6.07,-2.07,;6.97,-3.31,;8.44,-2.84,;8.44,-1.3,;9.77,-.53,;6.97,-.82,;1.45,-2.07,;-.09,-2.07,;-.86,-.73,;-2.4,-.73,;-3.31,.51,;-4.77,.04,;-4.77,-1.5,;-3.31,-1.98,;-6.11,-2.27,;-5.71,-3.76,;-6.8,-4.85,;-8.28,-4.45,;-8.68,-5.94,;-9.77,-4.85,;-8.68,-2.96,;-7.59,-1.87,;-.09,.6,;-.86,1.94,;-.09,3.27,;-.86,4.6,;-.09,5.94,;-2.4,4.6,)|
CCO[C@H]1C[C@H](C1)n1cc(cn1)-c1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:18.19,5.7,3.2,(-10.88,-5.03,;-9.55,-4.26,;-8.21,-5.03,;-6.88,-4.26,;-6.48,-2.78,;-5,-3.17,;-5.39,-4.66,;-3.66,-2.4,;-2.2,-2.88,;-1.29,-1.63,;-2.2,-.39,;-3.66,-.86,;.25,-1.63,;1.02,-2.97,;2.56,-2.97,;3.33,-1.63,;4.87,-1.63,;5.64,-2.97,;7.18,-2.97,;8.08,-4.21,;9.55,-3.74,;9.55,-2.2,;10.88,-1.43,;8.08,-1.72,;2.56,-.3,;3.33,1.03,;2.56,2.37,;3.33,3.7,;4.87,3.7,;5.64,5.03,;5.64,2.37,;1.02,2.37,;.25,1.03,;1.02,-.3,;.25,3.7,;1.02,5.03,;-1.29,3.7,)|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)[C@@H]3C[C@@H](C3)N(C)C)c2cc1C(N)=O |r,wU:10.9,24.25,26.30,(4.97,5.8,;4.2,4.47,;4.97,3.14,;2.66,4.47,;1.89,3.14,;2.66,1.8,;1.89,.47,;2.66,-.86,;4.2,-.86,;4.97,-2.2,;6.51,-2.2,;7.42,-3.44,;8.88,-2.97,;8.88,-1.43,;10.21,-.66,;7.42,-.95,;1.89,-2.2,;.35,-2.2,;-.42,-.86,;-1.96,-.86,;-2.86,.38,;-4.33,-.09,;-4.33,-1.63,;-2.86,-2.11,;-5.66,-2.4,;-7.15,-2.01,;-7.55,-3.49,;-6.06,-3.89,;-8.88,-4.26,;-10.21,-3.49,;-8.88,-5.8,;.35,.47,;-.42,1.8,;.35,3.14,;-.42,4.47,;.35,5.8,;-1.96,4.47,)|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)C3CCN(CC3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)C3CCNCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)C3CCN(C)CC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cn[nH]c3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3(O)CCCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CCC3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3(O)CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3(O)CCN(CC3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3(O)CCNCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3CCNCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3CCN(C)CC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3(O)CCN(C)CC3)c2cc1C(N)=O |r|
CCO[C@H]1CC[C@@H](CC1)C#Cc1cnc(OC[C@@H]2CC(F)(F)C(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:17.17,6.9,wD:3.2,(-11.17,-.28,;-9.63,-.28,;-8.86,-1.62,;-7.32,-1.62,;-6.55,-2.95,;-5.01,-2.95,;-4.24,-1.62,;-5.01,-.28,;-6.55,-.28,;-2.7,-1.62,;-1.16,-1.62,;.38,-1.62,;1.15,-2.95,;2.69,-2.95,;3.46,-1.62,;5,-1.62,;5.77,-2.95,;7.31,-2.95,;8.22,-4.2,;9.68,-3.72,;11.17,-4.12,;10.45,-5.05,;9.68,-2.18,;11.02,-1.41,;8.22,-1.7,;2.69,-.28,;3.46,1.05,;2.69,2.39,;3.46,3.72,;5,3.72,;5.77,5.05,;5.77,2.39,;1.15,2.39,;.38,1.05,;1.15,-.28,;.38,3.72,;1.15,5.05,;-1.16,3.72,)|
CCO[C@H]1CC[C@H](CC1)C#Cc1cnc(OC[C@@H]2CC(F)(F)C(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:17.17,6.9,3.2,(-11.17,-.28,;-9.63,-.28,;-8.86,-1.62,;-7.32,-1.62,;-6.55,-.28,;-5.01,-.28,;-4.24,-1.62,;-5.01,-2.95,;-6.55,-2.95,;-2.7,-1.62,;-1.16,-1.62,;.38,-1.62,;1.15,-2.95,;2.69,-2.95,;3.46,-1.62,;5,-1.62,;5.77,-2.95,;7.31,-2.95,;8.22,-4.2,;9.68,-3.72,;11.17,-4.12,;10.45,-5.05,;9.68,-2.18,;11.02,-1.41,;8.22,-1.7,;2.69,-.28,;3.46,1.05,;2.69,2.39,;3.46,3.72,;5,3.72,;5.77,5.05,;5.77,2.39,;1.15,2.39,;.38,1.05,;1.15,-.28,;.38,3.72,;1.15,5.05,;-1.16,3.72,)|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#C[C@H]3CC[C@](C)(O)CC3)c2cc1C(N)=O |r,wU:10.9,23.23,26.27,wD:26.28,(4.51,5.05,;3.74,3.72,;4.51,2.39,;2.2,3.72,;1.43,2.39,;2.2,1.05,;1.43,-.28,;2.2,-1.62,;3.74,-1.62,;4.51,-2.95,;6.05,-2.95,;6.96,-4.2,;8.42,-3.72,;9.91,-4.12,;9.19,-5.05,;8.42,-2.18,;9.76,-1.41,;6.96,-1.7,;1.43,-2.95,;-.11,-2.95,;-.88,-1.62,;-2.42,-1.62,;-3.96,-1.62,;-5.5,-1.62,;-6.27,-2.95,;-7.81,-2.95,;-8.58,-1.62,;-9.91,-2.39,;-9.91,-.85,;-7.81,-.28,;-6.27,-.28,;-.11,-.28,;-.88,1.05,;-.11,2.39,;-.88,3.72,;-.11,5.05,;-2.42,3.72,)|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#C[C@H]3CC[C@@](C)(O)CC3)c2cc1C(N)=O |r,wU:10.9,23.23,26.28,wD:26.27,(4.51,5.05,;3.74,3.72,;4.51,2.39,;2.2,3.72,;1.43,2.39,;2.2,1.05,;1.43,-.28,;2.2,-1.62,;3.74,-1.62,;4.51,-2.95,;6.05,-2.95,;6.96,-4.2,;8.42,-3.72,;9.91,-4.12,;9.19,-5.05,;8.42,-2.18,;9.76,-1.41,;6.96,-1.7,;1.43,-2.95,;-.11,-2.95,;-.88,-1.62,;-2.42,-1.62,;-3.96,-1.62,;-5.5,-1.62,;-6.27,-2.95,;-7.81,-2.95,;-8.58,-1.62,;-9.91,-2.39,;-9.91,-.85,;-7.81,-.28,;-6.27,-.28,;-.11,-.28,;-.88,1.05,;-.11,2.39,;-.88,3.72,;-.11,5.05,;-2.42,3.72,)|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3CN(C3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3CNC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3CN(C)C3)c2cc1C(N)=O |r|
COC1(CC(C1)C#Cc1cnc(OC[C@@H]2CC(F)(F)C(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O)OC |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(C#CC3CN(C3)C(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)C3CC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)C3CCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)C3CCCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)C3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(CC4CCOCC4)c3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(CCC4CCOCC4)c3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)[C@@H]3C[C@@H](C3)N(C)C)c2cc1C(N)=O |r,wU:10.9,26.27,28.32,(4.85,5.94,;4.08,4.6,;4.85,3.27,;2.54,4.6,;1.77,3.27,;2.54,1.94,;1.77,.6,;2.54,-.73,;4.08,-.73,;4.85,-2.07,;6.39,-2.07,;7.29,-3.31,;8.76,-2.84,;10.25,-3.23,;9.53,-4.17,;8.76,-1.3,;10.09,-.53,;7.29,-.82,;1.77,-2.07,;.23,-2.07,;-.54,-.73,;-2.08,-.73,;-2.99,.51,;-4.45,.04,;-4.45,-1.5,;-2.99,-1.98,;-5.78,-2.27,;-7.27,-1.87,;-7.67,-3.36,;-6.18,-3.76,;-8.76,-4.45,;-10.25,-4.05,;-8.36,-5.94,;.23,.6,;-.54,1.94,;.23,3.27,;-.54,4.6,;.23,5.94,;-2.08,4.6,)|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)C3CCN(CC3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)C3CCNCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)C3CCN(C)CC3)c2cc1C(N)=O |r|
CCO[C@H]1CC[C@@H](CC1)n1cc(cn1)-c1cnc(OC[C@@H]2CC(F)(F)C(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:20.21,6.9,wD:3.2,(-10.94,-6.08,;-9.85,-4.99,;-8.36,-5.39,;-7.27,-4.3,;-5.78,-4.7,;-4.7,-3.61,;-5.09,-2.13,;-6.58,-1.73,;-7.67,-2.82,;-3.76,-1.36,;-2.3,-1.83,;-1.39,-.59,;-2.3,.66,;-3.76,.18,;.15,-.59,;.92,-1.92,;2.46,-1.92,;3.23,-.59,;4.77,-.59,;5.54,-1.92,;7.08,-1.92,;7.99,-3.17,;9.45,-2.69,;10.94,-3.09,;10.22,-4.02,;9.45,-1.15,;10.78,-.38,;7.99,-.67,;2.46,.75,;3.23,2.08,;2.46,3.42,;3.23,4.75,;4.77,4.75,;5.54,6.08,;5.54,3.42,;.92,3.42,;.15,2.08,;.92,.75,;.15,4.75,;.92,6.08,;-1.39,4.75,)|
CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)[C@H]3CC[C@](C)(O)CC3)c2cc1C(N)=O |r,wU:10.9,26.27,29.31,wD:29.32,(4.45,5.94,;3.68,4.6,;4.45,3.27,;2.14,4.6,;1.37,3.27,;2.14,1.94,;1.37,.6,;2.14,-.73,;3.68,-.73,;4.45,-2.07,;5.99,-2.07,;6.9,-3.31,;8.36,-2.84,;9.85,-3.23,;9.13,-4.17,;8.36,-1.3,;9.69,-.53,;6.9,-.82,;1.37,-2.07,;-.17,-2.07,;-.94,-.73,;-2.48,-.73,;-3.38,.51,;-4.85,.04,;-4.85,-1.5,;-3.38,-1.98,;-6.18,-2.27,;-5.78,-3.76,;-6.87,-4.85,;-8.36,-4.45,;-8.76,-5.94,;-9.85,-4.85,;-8.76,-2.96,;-7.67,-1.87,;-.17,.6,;-.94,1.94,;-.17,3.27,;-.94,4.6,;-.17,5.94,;-2.48,4.6,)|
CC[C@H]1[C@@H](COc2ncc(C#CC3CCOCC3)c3cc(C(N)=O)c(OC(C)C)cc23)NC(=O)[C@H]1F |r|
CCO[C@H]1CC[C@@H](CC1)C#Cc1cnc(OC[C@H]2NC(=O)[C@@H](F)[C@H]2CC)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:17.17,21.22,23.25,6.9,wD:3.2,(-11.09,.23,;-9.55,.23,;-8.78,-1.1,;-7.24,-1.1,;-6.47,-2.44,;-4.93,-2.44,;-4.16,-1.1,;-4.93,.23,;-6.47,.23,;-2.62,-1.1,;-1.08,-1.1,;.46,-1.1,;1.23,-2.44,;2.77,-2.44,;3.54,-1.1,;5.08,-1.1,;5.85,-2.44,;7.39,-2.44,;8.29,-1.19,;9.76,-1.67,;11.09,-.9,;9.76,-3.2,;11.09,-3.97,;8.29,-3.68,;7.89,-5.17,;6.41,-5.57,;2.77,.23,;3.54,1.57,;2.77,2.9,;3.54,4.23,;5.08,4.23,;5.85,5.57,;5.85,2.9,;1.23,2.9,;.46,1.57,;1.23,.23,;.46,4.23,;1.23,5.57,;-1.08,4.23,)|
CCO[C@H]1CC[C@H](CC1)C#Cc1cnc(OC[C@H]2NC(=O)[C@@H](F)[C@H]2CC)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:17.17,21.22,23.25,6.9,3.2,(-11.09,.23,;-9.55,.23,;-8.78,-1.1,;-7.24,-1.1,;-6.47,.23,;-4.93,.23,;-4.16,-1.1,;-4.93,-2.44,;-6.47,-2.44,;-2.62,-1.1,;-1.08,-1.1,;.46,-1.1,;1.23,-2.44,;2.77,-2.44,;3.54,-1.1,;5.08,-1.1,;5.85,-2.44,;7.39,-2.44,;8.29,-1.19,;9.76,-1.67,;11.09,-.9,;9.76,-3.2,;11.09,-3.97,;8.29,-3.68,;7.89,-5.17,;6.41,-5.57,;2.77,.23,;3.54,1.57,;2.77,2.9,;3.54,4.23,;5.08,4.23,;5.85,5.57,;5.85,2.9,;1.23,2.9,;.46,1.57,;1.23,.23,;.46,4.23,;1.23,5.57,;-1.08,4.23,)|
CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ncc(C#CC3(O)CCCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ncc(C#CC3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ncc(C#CCC3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3(O)CCCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CCC3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3(O)CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3(O)CCN(CC3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3(O)CCNCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3(O)CCN(C)CC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3CCNCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3CCN(C)CC3)c2cc1C(N)=O |r|
CCO[C@H]1CC[C@@H](CC1)C#Cc1cnc(O[C@@H]2CCCN(C2)C(=O)CC#N)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:16.16,6.9,wD:3.2,(-12.32,,;-10.78,,;-10.01,-1.33,;-8.47,-1.33,;-7.7,-2.67,;-6.16,-2.67,;-5.39,-1.33,;-6.16,,;-7.7,,;-3.85,-1.33,;-2.31,-1.33,;-.77,-1.33,;,-2.67,;1.54,-2.67,;2.31,-1.33,;3.85,-1.33,;4.62,-2.67,;3.85,-4,;4.62,-5.33,;6.16,-5.33,;6.93,-4,;6.16,-2.67,;8.47,-4,;9.24,-2.67,;9.24,-5.33,;8.47,-6.67,;7.7,-8,;1.54,,;2.31,1.33,;1.54,2.67,;2.31,4,;3.85,4,;4.62,5.33,;4.62,2.67,;,2.67,;-.77,1.33,;;-.77,4,;,5.33,;-2.31,4,)|
CCO[C@H]1CC[C@H](CC1)C#Cc1cnc(O[C@@H]2CCCN(C2)C(=O)CC#N)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:16.16,6.9,3.2,(-12.32,,;-10.78,,;-10.01,-1.33,;-8.47,-1.33,;-7.7,,;-6.16,,;-5.39,-1.33,;-6.16,-2.67,;-7.7,-2.67,;-3.85,-1.33,;-2.31,-1.33,;-.77,-1.33,;,-2.67,;1.54,-2.67,;2.31,-1.33,;3.85,-1.33,;4.62,-2.67,;3.85,-4,;4.62,-5.33,;6.16,-5.33,;6.93,-4,;6.16,-2.67,;8.47,-4,;9.24,-2.67,;9.24,-5.33,;8.47,-6.67,;7.7,-8,;1.54,,;2.31,1.33,;1.54,2.67,;2.31,4,;3.85,4,;4.62,5.33,;4.62,2.67,;,2.67,;-.77,1.33,;;-.77,4,;,5.33,;-2.31,4,)|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#C[C@H]3CC[C@](C)(O)CC3)c2cc1C(N)=O |r,wU:9.8,25.25,28.29,wD:28.30,(3.36,5.33,;2.59,4,;3.36,2.67,;1.05,4,;.28,2.67,;1.05,1.33,;.28,,;1.05,-1.33,;2.59,-1.33,;3.36,-2.67,;2.59,-4,;3.36,-5.33,;4.9,-5.33,;5.67,-4,;4.9,-2.67,;7.21,-4,;7.98,-2.67,;7.98,-5.33,;9.52,-5.33,;11.06,-5.33,;.28,-2.67,;-1.26,-2.67,;-2.03,-1.33,;-3.57,-1.33,;-5.11,-1.33,;-6.65,-1.33,;-7.42,-2.67,;-8.96,-2.67,;-9.73,-1.33,;-11.06,-2.1,;-11.06,-.56,;-8.96,,;-7.42,,;-1.26,,;-2.03,1.33,;-1.26,2.67,;-2.03,4,;-1.26,5.33,;-3.57,4,)|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#C[C@H]3CC[C@@](C)(O)CC3)c2cc1C(N)=O |r,wU:9.8,28.30,25.25,wD:28.29,(3.36,5.33,;2.59,4,;3.36,2.67,;1.05,4,;.28,2.67,;1.05,1.33,;.28,,;1.05,-1.33,;2.59,-1.33,;3.36,-2.67,;2.59,-4,;3.36,-5.33,;4.9,-5.33,;5.67,-4,;4.9,-2.67,;7.21,-4,;7.98,-2.67,;7.98,-5.33,;9.52,-5.33,;11.06,-5.33,;.28,-2.67,;-1.26,-2.67,;-2.03,-1.33,;-3.57,-1.33,;-5.11,-1.33,;-6.65,-1.33,;-7.42,-2.67,;-8.96,-2.67,;-9.73,-1.33,;-11.06,-2.1,;-11.06,-.56,;-8.96,,;-7.42,,;-1.26,,;-2.03,1.33,;-1.26,2.67,;-2.03,4,;-1.26,5.33,;-3.57,4,)|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3CN(C3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3CNC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#CC3CN(C)C3)c2cc1C(N)=O |r|
COC1(CC(C1)C#Cc1cnc(O[C@@H]2CCCN(C2)C(=O)CC#N)c2cc(OC(C)C)c(cc12)C(N)=O)OC |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(C#C[C@H]3C[C@H](C3)N(C)C)c2cc1C(N)=O |r,wU:9.8,25.25,27.30,(3.4,5.33,;2.63,4,;3.4,2.67,;1.09,4,;.32,2.67,;1.09,1.33,;.32,,;1.09,-1.33,;2.63,-1.33,;3.4,-2.67,;2.63,-4,;3.4,-5.33,;4.94,-5.33,;5.71,-4,;4.94,-2.67,;7.25,-4,;8.02,-2.67,;8.02,-5.33,;9.56,-5.33,;11.1,-5.33,;.32,-2.67,;-1.22,-2.67,;-1.99,-1.33,;-3.53,-1.33,;-5.07,-1.33,;-6.61,-1.33,;-7.7,-2.42,;-8.79,-1.33,;-7.7,-.24,;-10.33,-1.33,;-11.1,-2.67,;-11.1,,;-1.22,,;-1.99,1.33,;-1.22,2.67,;-1.99,4,;-1.22,5.33,;-3.53,4,)|
CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ncc(-c3cnn(c3)C3CC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ncc(-c3cnn(c3)C3CCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ncc(-c3cnn(c3)C3CCCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ncc(-c3cnn(c3)C3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ncc(-c3cnn(CC4CCOCC4)c3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ncc(-c3cnn(CCC4CCOCC4)c3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(-c3cnn(c3)C3CC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(-c3cnn(c3)C3CCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(-c3cnn(c3)C3CCCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(-c3cnn(c3)C3CCOCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(-c3cnn(CC4CCOCC4)c3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(-c3cnn(CCC4CCOCC4)c3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(-c3cnn(c3)[C@@H]3C[C@@H](C3)N(C)C)c2cc1C(N)=O |r,wU:9.8,28.29,30.34,(3.74,5.8,;2.97,4.47,;3.74,3.14,;1.43,4.47,;.66,3.14,;1.43,1.8,;.66,.47,;1.43,-.86,;2.97,-.86,;3.74,-2.2,;2.97,-3.53,;3.74,-4.87,;5.28,-4.87,;6.05,-3.53,;5.28,-2.2,;7.59,-3.53,;8.36,-2.2,;8.36,-4.87,;9.9,-4.87,;11.44,-4.87,;.66,-2.2,;-.88,-2.2,;-1.65,-.86,;-3.19,-.86,;-4.09,.38,;-5.56,-.09,;-5.56,-1.63,;-4.09,-2.11,;-6.89,-2.4,;-8.38,-2.01,;-8.78,-3.49,;-7.29,-3.89,;-10.11,-4.26,;-11.44,-3.49,;-10.11,-5.8,;-.88,.47,;-1.65,1.8,;-.88,3.14,;-1.65,4.47,;-.88,5.8,;-3.19,4.47,)|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(-c3cnn(c3)C3CCN(CC3)C(=O)OC(C)(C)C)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(-c3cnn(c3)C3CCNCC3)c2cc1C(N)=O |r|
CC(C)Oc1cc2c(O[C@@H]3CCCN(C3)C(=O)CC#N)ncc(-c3cnn(c3)C3CCN(C)CC3)c2cc1C(N)=O |r|
CCO[C@H]1CC[C@@H](CC1)n1cc(cn1)-c1cnc(O[C@@H]2CCCN(C2)C(=O)CC#N)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:19.20,6.9,wD:3.2,(-12.09,-6.08,;-11,-4.99,;-9.51,-5.39,;-8.42,-4.3,;-6.94,-4.7,;-5.85,-3.61,;-6.24,-2.13,;-7.73,-1.73,;-8.82,-2.82,;-4.91,-1.36,;-3.45,-1.83,;-2.54,-.59,;-3.45,.66,;-4.91,.18,;-1,-.59,;-.23,-1.92,;1.31,-1.92,;2.08,-.59,;3.62,-.59,;4.39,-1.92,;3.62,-3.25,;4.39,-4.59,;5.93,-4.59,;6.7,-3.25,;5.93,-1.92,;8.24,-3.25,;9.01,-1.92,;9.01,-4.59,;8.24,-5.92,;7.47,-7.25,;1.31,.75,;2.08,2.08,;1.31,3.42,;2.08,4.75,;3.62,4.75,;4.39,6.08,;4.39,3.42,;-.23,3.42,;-1,2.08,;-.23,.75,;-1,4.75,;-.23,6.08,;-2.54,4.75,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@]2(CCC(=O)N2C)CC1 |r,wU:23.26,26.30,(3.8,-3.23,;3.8,-1.69,;2.46,-.92,;1.14,-1.69,;-.19,-.93,;-1.65,-1.41,;-2.56,-.16,;-1.65,1.09,;-.19,.61,;1.14,1.38,;2.46,.61,;3.8,1.38,;3.8,2.92,;5.13,.61,;6.47,1.38,;6.63,2.91,;8.13,3.23,;8.9,1.9,;10.41,1.58,;10.89,.12,;9.86,-1.03,;8.35,-.71,;7.87,.76,;-4.1,-.16,;-4.87,-1.49,;-6.41,-1.49,;-7.18,-.16,;-8.09,-1.4,;-9.55,-.93,;-9.55,.61,;-10.89,1.38,;-8.09,1.09,;-7.69,2.57,;-6.41,1.18,;-4.87,1.18,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@]2(CN(C2)C(C)=O)C[C@@H]1C |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@]2(CCC(=O)N2C)CC1 |r,wU:26.35,23.26,(3.8,-3.24,;3.8,-1.7,;2.47,-.93,;1.14,-1.7,;-.2,-.93,;-1.66,-1.4,;-2.57,-.16,;-1.66,1.09,;-.2,.61,;1.14,1.38,;2.47,.61,;3.8,1.38,;3.8,2.92,;5.14,.61,;6.47,1.38,;6.63,2.92,;8.14,3.24,;8.91,1.9,;10.41,1.58,;10.89,.12,;9.86,-1.03,;8.35,-.71,;7.88,.76,;-4.11,-.16,;-4.88,-1.49,;-6.42,-1.49,;-7.19,-.16,;-8.09,-1.4,;-9.56,-.93,;-9.56,.61,;-10.89,1.38,;-8.09,1.09,;-7.69,2.58,;-6.42,1.18,;-4.88,1.18,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@@H](CC1)C(=O)N(C)C |r,wU:23.26,26.33,(3.88,-3.24,;3.88,-1.7,;2.54,-.93,;1.21,-1.7,;-.12,-.93,;-1.59,-1.4,;-2.49,-.16,;-1.59,1.09,;-.12,.61,;1.21,1.38,;2.54,.61,;3.88,1.38,;3.88,2.92,;5.21,.61,;6.54,1.38,;6.71,2.92,;8.21,3.24,;8.98,1.9,;10.49,1.58,;10.96,.12,;9.93,-1.03,;8.43,-.71,;7.95,.76,;-4.03,-.16,;-4.8,1.18,;-6.34,1.18,;-7.11,-.16,;-6.34,-1.49,;-4.8,-1.49,;-8.65,-.16,;-9.42,1.18,;-9.42,-1.49,;-8.65,-2.82,;-10.96,-1.49,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@]2(CN(C2)C(C)=O)C[C@H]1C |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)C(=O)N(C)C |r,wU:26.33,wD:23.26,(3.88,-3.24,;3.88,-1.7,;2.54,-.93,;1.21,-1.7,;-.12,-.93,;-1.59,-1.4,;-2.49,-.16,;-1.59,1.09,;-.12,.61,;1.21,1.38,;2.54,.61,;3.88,1.38,;3.88,2.92,;5.21,.61,;6.54,1.38,;6.71,2.92,;8.21,3.24,;8.98,1.9,;10.49,1.58,;10.96,.12,;9.93,-1.03,;8.43,-.71,;7.95,.76,;-4.03,-.16,;-4.8,1.18,;-6.34,1.18,;-7.11,-.16,;-6.34,-1.49,;-4.8,-1.49,;-8.65,-.16,;-9.42,1.18,;-9.42,-1.49,;-8.65,-2.82,;-10.96,-1.49,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC2(C[C@@](C)(O)C2)CC1 |r,wU:23.26,28.33,wD:28.32,(3.59,2.06,;3.59,3.6,;2.25,4.37,;.92,3.6,;-.42,4.37,;-1.88,3.9,;-2.79,5.14,;-1.88,6.39,;-.42,5.91,;.92,6.68,;2.25,5.91,;3.59,6.68,;3.59,8.22,;4.92,5.91,;6.25,6.68,;6.41,8.21,;7.92,8.53,;8.69,7.2,;10.2,6.88,;10.67,5.42,;9.64,4.27,;8.14,4.59,;7.66,6.06,;-4.33,5.14,;-5.1,3.81,;-6.64,3.81,;-7.41,5.14,;-8.49,4.05,;-9.58,5.14,;-10.67,6.23,;-10.67,4.05,;-8.49,6.23,;-6.64,6.48,;-5.1,6.48,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@]2(CN(C)C(=O)C2)CC1 |r,wU:23.26,wD:26.36,(3.83,-3.23,;3.83,-1.69,;2.5,-.92,;1.18,-1.69,;-.15,-.93,;-1.62,-1.41,;-2.53,-.16,;-1.62,1.09,;-.15,.61,;1.17,1.38,;2.5,.61,;3.83,1.38,;3.83,2.92,;5.17,.61,;6.5,1.38,;6.66,2.91,;8.17,3.23,;8.94,1.9,;10.44,1.58,;10.92,.12,;9.89,-1.03,;8.38,-.71,;7.91,.76,;-4.07,-.16,;-4.84,-1.49,;-6.38,-1.49,;-7.15,-.16,;-7.92,1.17,;-9.42,.85,;-10.51,1.94,;-9.58,-.68,;-10.92,-1.45,;-8.18,-1.3,;-6.38,1.17,;-4.84,1.17,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC2(C[C@@](C)(O)C2)CC1 |r,wU:23.26,28.32,wD:28.33,(3.59,2.06,;3.59,3.6,;2.25,4.37,;.92,3.6,;-.42,4.37,;-1.88,3.9,;-2.79,5.14,;-1.88,6.39,;-.42,5.91,;.92,6.68,;2.25,5.91,;3.59,6.68,;3.59,8.22,;4.92,5.91,;6.25,6.68,;6.41,8.21,;7.92,8.53,;8.69,7.2,;10.2,6.88,;10.67,5.42,;9.64,4.27,;8.14,4.59,;7.66,6.06,;-4.33,5.14,;-5.1,3.81,;-6.64,3.81,;-7.41,5.14,;-8.49,6.23,;-9.58,5.14,;-10.67,6.23,;-10.67,4.05,;-8.49,4.05,;-6.64,6.48,;-5.1,6.48,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@]2(CN(C)C(=O)C2)CC1 |r,wU:23.26,wD:26.30,(3.8,-3.24,;3.8,-1.7,;2.47,-.93,;1.14,-1.7,;-.2,-.93,;-1.66,-1.4,;-2.57,-.16,;-1.66,1.09,;-.2,.61,;1.14,1.38,;2.47,.61,;3.8,1.38,;3.8,2.92,;5.14,.61,;6.47,1.38,;6.63,2.92,;8.14,3.24,;8.91,1.9,;10.42,1.58,;10.89,.12,;9.86,-1.03,;8.35,-.71,;7.88,.76,;-4.11,-.16,;-4.88,-1.49,;-6.42,-1.49,;-7.19,-.16,;-8.09,1.09,;-9.56,.61,;-10.89,1.38,;-9.56,-.93,;-10.65,-2.01,;-8.09,-1.4,;-6.42,1.18,;-4.88,1.18,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@H](O)CC1 |r,wU:23.26,26.30,(2.72,1.52,;2.72,3.06,;1.39,3.83,;.05,3.06,;-1.28,3.83,;-2.74,3.35,;-3.65,4.6,;-2.74,5.85,;-1.28,5.37,;.05,6.14,;1.39,5.37,;2.72,6.14,;2.72,7.68,;4.06,5.37,;5.39,6.14,;5.55,7.67,;7.06,7.99,;7.83,6.66,;9.33,6.34,;9.81,4.87,;8.78,3.73,;7.27,4.05,;6.8,5.51,;-5.19,4.6,;-5.96,5.93,;-7.5,5.93,;-8.27,4.6,;-9.81,4.6,;-7.5,3.27,;-5.96,3.27,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@@]2(CN(C)C(=O)C2)C[C@H]1C |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@H](O)CC1 |r,wU:23.26,wD:26.30,(2.72,1.52,;2.72,3.06,;1.39,3.83,;.05,3.06,;-1.28,3.83,;-2.74,3.35,;-3.65,4.6,;-2.74,5.85,;-1.28,5.37,;.05,6.14,;1.39,5.37,;2.72,6.14,;2.72,7.68,;4.06,5.37,;5.39,6.14,;5.55,7.67,;7.06,7.99,;7.83,6.66,;9.33,6.34,;9.81,4.87,;8.78,3.73,;7.27,4.05,;6.8,5.51,;-5.19,4.6,;-5.96,3.27,;-7.5,3.27,;-8.27,4.6,;-9.81,4.6,;-7.5,5.93,;-5.96,5.93,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@]2(CN(C)C(=O)C2)C[C@H]1C |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC[C@@H](O)C1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@]2(CN(C)C(=O)C2)C[C@H]1C |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC[C@H](O)C1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@]2(CN(C)C(=O)C2)C[C@H]1C |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@]2(CCC(=O)N2C)CC1 |r,wU:23.26,26.35,(3.8,2.63,;3.8,4.17,;2.47,4.94,;1.14,4.17,;-.2,4.94,;-1.66,4.46,;-2.57,5.71,;-1.66,6.95,;-.2,6.48,;1.14,7.25,;2.47,6.48,;3.8,7.25,;3.8,8.79,;5.14,6.48,;6.47,7.25,;6.63,8.78,;8.14,9.1,;8.91,7.77,;10.41,7.45,;10.89,5.98,;9.86,4.84,;8.35,5.16,;7.88,6.62,;-4.11,5.71,;-4.88,4.37,;-6.42,4.37,;-7.19,5.71,;-8.09,4.46,;-9.56,4.94,;-9.56,6.48,;-10.89,7.25,;-8.09,6.95,;-7.69,8.44,;-6.42,7.04,;-4.88,7.04,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@]2(COC(=O)N2C)CC1 |r,wU:23.26,26.35,(3.76,1.74,;3.76,3.28,;2.43,4.05,;1.09,3.28,;-.24,4.05,;-1.71,3.57,;-2.61,4.82,;-1.71,6.06,;-.24,5.59,;1.09,6.36,;2.43,5.59,;3.76,6.36,;3.76,7.9,;5.09,5.59,;6.43,6.36,;6.59,7.89,;8.09,8.21,;8.86,6.87,;10.37,6.55,;10.85,5.09,;9.82,3.94,;8.31,4.26,;7.83,5.73,;-4.15,4.82,;-4.92,3.48,;-6.46,3.48,;-7.23,4.82,;-8.14,6.06,;-9.6,5.59,;-9.6,4.05,;-10.85,3.14,;-8.14,3.57,;-7.66,2.1,;-6.46,6.15,;-4.92,6.15,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@]2(COC(=O)N2C)CC1 |r,wU:23.26,wD:26.35,(3.76,1.74,;3.76,3.28,;2.43,4.05,;1.09,3.28,;-.24,4.05,;-1.71,3.57,;-2.61,4.82,;-1.71,6.06,;-.24,5.59,;1.09,6.36,;2.43,5.59,;3.76,6.36,;3.76,7.9,;5.09,5.59,;6.43,6.36,;6.59,7.89,;8.09,8.21,;8.86,6.87,;10.37,6.55,;10.85,5.09,;9.82,3.95,;8.31,4.26,;7.83,5.73,;-4.15,4.82,;-4.92,3.48,;-6.46,3.48,;-7.23,4.82,;-8.14,6.06,;-9.6,5.59,;-9.6,4.05,;-10.85,3.14,;-8.14,3.57,;-7.66,2.11,;-6.46,6.15,;-4.92,6.15,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CCC[C@@H](O)C1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@H](O)[C@H](C)C1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CCC[C@H](O)C1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@@H](O)[C@H](C)C1 |r|
CC1(O)C[C@@]2(C1)CC[C@@H](CC2)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r,wU:8.12,wD:4.3,(-10.67,7.99,;-9.58,6.9,;-10.67,5.81,;-8.49,7.99,;-7.41,6.9,;-8.49,5.81,;-6.64,5.56,;-5.1,5.56,;-4.33,6.9,;-5.1,8.23,;-6.64,8.23,;-2.79,6.9,;-1.88,8.14,;-.42,7.67,;.92,8.44,;2.25,7.67,;3.59,8.44,;3.59,9.98,;4.92,7.67,;6.25,8.44,;6.41,9.97,;7.92,10.29,;8.69,8.95,;10.2,8.63,;10.67,7.17,;9.64,6.03,;8.14,6.35,;7.66,7.81,;2.25,6.13,;3.59,5.36,;3.59,3.82,;2.82,2.48,;4.36,2.48,;.92,5.36,;-.42,6.13,;-1.88,5.65,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](O)[C@H](C)C1 |r|
CC1(O)C[C@@]2(C1)CC[C@@H](CC2)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r,wU:8.12,4.4,(-10.67,7.99,;-9.58,6.9,;-10.67,5.81,;-8.49,5.81,;-7.41,6.9,;-8.49,7.99,;-6.64,5.56,;-5.1,5.56,;-4.33,6.9,;-5.1,8.23,;-6.64,8.23,;-2.79,6.9,;-1.88,8.14,;-.42,7.67,;.92,8.44,;2.25,7.67,;3.59,8.44,;3.59,9.98,;4.92,7.67,;6.25,8.44,;6.41,9.97,;7.92,10.29,;8.69,8.95,;10.2,8.63,;10.67,7.17,;9.64,6.03,;8.14,6.35,;7.66,7.81,;2.25,6.13,;3.59,5.36,;3.59,3.82,;2.82,2.48,;4.36,2.48,;.92,5.36,;-.42,6.13,;-1.88,5.65,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@H](O)[C@H](C)C1 |r|
O[C@@H]1CCC[C@@H](C1)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@H](O)[C@@H](C)C1 |r|
O[C@H]1CCC[C@@H](C1)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@H](O)[C@@H](C)C1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@@H](O)[C@@H](C)C1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)C1CCC2(CN(C2)C(C)=O)CC1
O[C@H]1CC[C@@H](CC1)n1cc2cc(C(=O)Nc3cnc4cccnn34)c(OC3CC3)cc2n1 |r,wU:1.0,wD:4.7,(-9.82,.55,;-8.28,.58,;-7.51,1.91,;-5.97,1.91,;-5.2,.58,;-5.97,-.75,;-7.51,-.75,;-3.66,.53,;-2.75,1.77,;-1.29,1.3,;.05,2.07,;1.38,1.3,;2.74,2.02,;2.79,3.56,;4.08,1.25,;5.4,2.05,;5.56,3.58,;7.06,3.9,;7.83,2.56,;9.34,2.24,;9.82,.78,;8.79,-.36,;7.28,-.04,;6.8,1.42,;1.38,-.24,;2.71,-1.02,;2.71,-2.56,;1.94,-3.9,;3.48,-3.9,;.05,-1.01,;-1.29,-.24,;-2.75,-.72,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@@H](CC1)N(C)C(C)=O |r,wU:23.26,26.33,(3.88,-3.24,;3.88,-1.7,;2.54,-.93,;1.21,-1.7,;-.12,-.93,;-1.59,-1.4,;-2.49,-.16,;-1.59,1.09,;-.12,.61,;1.21,1.38,;2.54,.61,;3.88,1.38,;3.88,2.92,;5.21,.61,;6.54,1.38,;6.71,2.92,;8.21,3.24,;8.98,1.9,;10.49,1.58,;10.96,.12,;9.93,-1.03,;8.43,-.71,;7.95,.76,;-4.03,-.16,;-4.8,1.18,;-6.34,1.18,;-7.11,-.16,;-6.34,-1.49,;-4.8,-1.49,;-8.65,-.16,;-9.42,1.18,;-9.42,-1.49,;-10.96,-1.49,;-8.65,-2.82,)|
O[C@H]1CC[C@H](CC1)N\C=C1\C=C(C(=O)Nc2cnc3cccnn23)C(OC2CC2)=CC1=N |r,wD:1.0,4.7,c:32,t:11,(-8.81,-3.93,;-7.3,-3.61,;-6.27,-4.76,;-4.77,-4.44,;-4.29,-2.97,;-5.32,-1.83,;-6.83,-2.15,;-2.78,-2.65,;-2.31,-1.19,;-.8,-.87,;-.32,.6,;1.18,.92,;1.66,2.38,;.63,3.53,;3.16,2.7,;3.64,4.17,;2.73,5.41,;3.64,6.66,;5.1,6.18,;6.44,6.95,;7.77,6.18,;7.77,4.64,;6.44,3.87,;5.1,4.64,;2.21,-.23,;3.72,.1,;4.75,-1.05,;6.21,-1.53,;5.07,-2.56,;1.74,-1.69,;.23,-2.01,;-.25,-3.47,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(C)=O |r,wU:26.33,wD:23.26,(3.87,-3.23,;3.87,-1.69,;2.54,-.92,;1.22,-1.69,;-.12,-.93,;-1.58,-1.41,;-2.49,-.16,;-1.58,1.09,;-.12,.61,;1.21,1.38,;2.54,.61,;3.87,1.38,;3.87,2.92,;5.2,.61,;6.54,1.38,;6.7,2.91,;8.21,3.23,;8.97,1.9,;10.48,1.58,;10.96,.12,;9.93,-1.03,;8.42,-.71,;7.94,.76,;-4.03,-.16,;-4.8,1.17,;-6.34,1.17,;-7.11,-.16,;-6.34,-1.49,;-4.8,-1.49,;-8.65,-.16,;-9.42,1.17,;-9.42,-1.49,;-10.96,-1.49,;-8.65,-2.83,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@]2(CN(C)C(=O)C2)CC1 |r,wU:23.26,wD:26.30,(3.8,-3.24,;3.8,-1.7,;2.47,-.93,;1.13,-1.7,;-.2,-.93,;-1.66,-1.4,;-2.57,-.16,;-1.66,1.09,;-.2,.61,;1.13,1.38,;2.47,.61,;3.8,1.38,;3.9,2.93,;5.14,.61,;6.47,1.38,;6.63,2.92,;8.14,3.24,;8.91,1.9,;10.41,1.58,;10.89,.12,;9.86,-1.03,;8.35,-.71,;7.88,.76,;-4.11,-.16,;-4.88,-1.49,;-6.42,-1.49,;-7.19,-.16,;-8.09,1.09,;-9.56,.61,;-10.89,1.58,;-9.56,-.93,;-10.89,-1.89,;-8.09,-1.4,;-6.42,1.18,;-4.88,1.18,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@@H]1CC[C@@H](CC1)N(C)C(C)=O |r,wD:23.26,26.33,(3.88,1.34,;3.88,2.88,;2.54,3.65,;1.21,2.88,;-.12,3.65,;-1.59,3.17,;-2.49,4.42,;-1.59,5.66,;-.12,5.19,;1.21,5.96,;2.54,5.19,;3.88,5.96,;3.88,7.5,;5.21,5.19,;6.54,5.96,;6.71,7.49,;8.21,7.81,;8.98,6.48,;10.49,6.16,;10.96,4.69,;9.93,3.55,;8.43,3.87,;7.95,5.33,;-4.03,4.42,;-4.8,3.09,;-6.34,3.09,;-7.11,4.42,;-6.34,5.75,;-4.8,5.75,;-8.65,4.42,;-9.42,5.75,;-9.42,3.09,;-10.96,3.09,;-8.65,1.75,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@]2(CN(C)C(=O)C2)CC1 |r,wU:23.26,26.30,(3.8,-3.24,;3.8,-1.7,;2.47,-.93,;1.13,-1.7,;-.2,-.93,;-1.66,-1.4,;-2.57,-.16,;-1.66,1.09,;-.2,.61,;1.13,1.38,;2.47,.61,;3.8,1.38,;3.9,2.93,;5.14,.61,;6.47,1.38,;6.63,2.92,;8.14,3.24,;8.91,1.9,;10.41,1.58,;10.89,.12,;9.86,-1.03,;8.35,-.71,;7.88,.76,;-4.11,-.16,;-4.88,-1.49,;-6.42,-1.49,;-7.19,-.16,;-8.09,1.09,;-9.56,.61,;-10.89,1.58,;-9.56,-.93,;-10.89,-1.89,;-8.09,-1.4,;-6.42,1.18,;-4.88,1.18,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@H](CC1)N(C)C(C)=O |r,wU:26.33,wD:23.26,(3.88,1.34,;3.88,2.88,;2.54,3.65,;1.21,2.88,;-.12,3.65,;-1.59,3.17,;-2.49,4.42,;-1.59,5.66,;-.12,5.19,;1.21,5.96,;2.54,5.19,;3.88,5.96,;3.88,7.5,;5.21,5.19,;6.54,5.96,;6.71,7.49,;8.21,7.81,;8.98,6.48,;10.49,6.16,;10.96,4.69,;9.93,3.55,;8.43,3.87,;7.95,5.33,;-4.03,4.42,;-4.8,5.75,;-6.34,5.75,;-7.11,4.42,;-6.34,3.09,;-4.8,3.09,;-8.65,4.42,;-9.42,5.75,;-9.42,3.09,;-10.96,3.09,;-8.65,1.75,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@H](O)C[C@H]1C |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@@H]1CC[C@@H](CC1)NC(=O)C1CC1 |r,wD:23.26,26.33,(4.54,2.08,;4.54,3.62,;3.21,4.39,;1.88,3.62,;.54,4.39,;-.92,3.92,;-1.83,5.16,;-.92,6.41,;.54,5.93,;1.88,6.7,;3.21,5.93,;4.54,6.7,;4.54,8.24,;5.88,5.93,;7.21,6.7,;7.37,8.23,;8.88,8.55,;9.65,7.22,;11.15,6.9,;11.63,5.43,;10.6,4.29,;9.09,4.61,;8.62,6.08,;-3.37,5.16,;-4.14,3.83,;-5.68,3.83,;-6.45,5.16,;-5.68,6.5,;-4.14,6.5,;-7.99,5.16,;-8.76,3.83,;-7.99,2.49,;-10.3,3.83,;-11.63,4.6,;-11.63,3.06,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@@H](O)C[C@H]1C |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@H](CC1)NC(=O)C1CC1 |r,wU:26.33,wD:23.26,(4.54,2.08,;4.54,3.62,;3.21,4.39,;1.88,3.62,;.54,4.39,;-.92,3.92,;-1.83,5.16,;-.92,6.41,;.54,5.93,;1.88,6.7,;3.21,5.93,;4.54,6.7,;4.54,8.24,;5.88,5.93,;7.21,6.7,;7.37,8.23,;8.88,8.55,;9.65,7.22,;11.15,6.9,;11.63,5.43,;10.6,4.29,;9.09,4.61,;8.62,6.08,;-3.37,5.16,;-4.14,6.5,;-5.68,6.5,;-6.45,5.16,;-5.68,3.83,;-4.14,3.83,;-7.99,5.16,;-8.76,3.83,;-7.99,2.49,;-10.3,3.83,;-11.63,4.6,;-11.63,3.06,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](O)C[C@@H]1C |r|
C[C@@H]1C[C@@]2(CN(C2)C(C)=O)CC[C@H]1n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](O)C[C@H]1C |r|
COC1=CC(=N)\C(=C/N[C@@H]2CC[C@@](C)(O)C[C@H]2C)C=C1C(=O)Nc1cnc2cccnn12 |r,c:19,t:2|
C[C@H]1C[C@@]2(CN(C2)C(C)=O)CC[C@H]1n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r|
COC1=CC(=N)\C(=C/N[C@@H]2CC[C@@](C)(O)C[C@@H]2C)C=C1C(=O)Nc1cnc2cccnn12 |r,c:19,t:2|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@H](C)O |wU:23.26,wD:26.33,33.39,(-2.39,-3.51,;-2.87,-4.97,;-1.84,-6.12,;-2.31,-7.58,;-1.28,-8.73,;-1.45,-10.26,;-.04,-10.89,;.99,-9.74,;.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;.28,-12.39,;1.75,-12.87,;2.07,-14.37,;.92,-15.4,;-.54,-14.93,;-.86,-13.42,;1.24,-16.91,;2.71,-17.39,;.1,-17.94,;-1.37,-17.47,;.42,-19.45,;1.88,-19.92,;-.73,-20.48,)|
CN([C@H]1CC[C@H](CC1)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1)C(C)=O |r,wD:5.8,2.1,(-9.42,6.75,;-8.65,5.42,;-7.11,5.42,;-6.34,4.08,;-4.8,4.08,;-4.03,5.42,;-4.8,6.75,;-6.34,6.75,;-2.49,5.42,;-1.59,6.66,;-.12,6.19,;1.21,6.96,;2.54,6.19,;3.88,6.96,;3.88,8.5,;5.21,6.19,;6.54,6.96,;6.71,8.49,;8.21,8.81,;8.98,7.47,;10.49,7.15,;10.96,5.69,;9.93,4.54,;8.43,4.86,;7.95,6.33,;2.54,4.65,;3.88,3.88,;3.88,2.34,;3.11,1,;4.65,1,;1.21,3.88,;-.12,4.65,;-1.59,4.17,;-9.42,4.08,;-10.96,4.08,;-8.65,2.75,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)OC(C)=O |r,wU:26.33,wD:33.38,23.26,(5.42,-2.78,;5.42,-1.24,;4.08,-.47,;2.75,-1.24,;1.42,-.47,;-.05,-.94,;-.95,.3,;-.05,1.55,;1.42,1.07,;2.75,1.84,;4.08,1.07,;5.42,1.84,;5.42,3.38,;6.75,1.07,;8.08,1.84,;8.25,3.38,;9.75,3.7,;10.52,2.36,;12.03,2.04,;12.5,.58,;11.47,-.57,;9.97,-.25,;9.49,1.22,;-2.49,.3,;-3.26,1.64,;-4.8,1.64,;-5.57,.3,;-4.8,-1.03,;-3.26,-1.03,;-7.11,.3,;-7.88,1.64,;-7.88,-1.03,;-7.11,-2.36,;-9.42,-1.03,;-10.19,.3,;-10.19,-2.36,;-11.73,-2.36,;-12.5,-3.7,;-12.5,-1.03,)|
CN([C@H]1CC[C@@H](CC1)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1)C(C)=O |r,wU:2.1,wD:5.8,(-9.42,6.75,;-8.65,5.42,;-7.11,5.42,;-6.34,6.75,;-4.8,6.75,;-4.03,5.42,;-4.8,4.08,;-6.34,4.08,;-2.49,5.42,;-1.59,6.66,;-.12,6.19,;1.21,6.96,;2.54,6.19,;3.88,6.96,;3.88,8.5,;5.21,6.19,;6.54,6.96,;6.71,8.49,;8.21,8.81,;8.98,7.47,;10.49,7.15,;10.96,5.69,;9.93,4.54,;8.43,4.86,;7.95,6.33,;2.54,4.65,;3.88,3.88,;3.88,2.34,;3.11,1,;4.65,1,;1.21,3.88,;-.12,4.65,;-1.59,4.17,;-9.42,4.08,;-10.96,4.08,;-8.65,2.75,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@H](CC1)N(C)C(=O)C1CC1 |r,wU:23.26,wD:26.33,(4.54,-3.24,;4.54,-1.7,;3.21,-.93,;1.88,-1.7,;.54,-.93,;-.92,-1.4,;-1.83,-.16,;-.92,1.09,;.54,.61,;1.88,1.38,;3.21,.61,;4.54,1.38,;4.54,2.92,;5.88,.61,;7.21,1.38,;7.37,2.92,;8.88,3.24,;9.65,1.9,;11.15,1.58,;11.63,.12,;10.6,-1.03,;9.09,-.71,;8.62,.76,;-3.37,-.16,;-4.14,-1.49,;-5.68,-1.49,;-6.45,-.16,;-5.68,1.18,;-4.14,1.18,;-7.99,-.16,;-8.76,1.18,;-8.76,-1.49,;-7.99,-2.82,;-10.3,-1.49,;-11.63,-.72,;-11.63,-2.26,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](C[C@@H]1C)N(C)C(C)=O |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)C1CC[C@@H](CC1)N(C)C(=O)[C@H]1C[C@H](O)C1 |r,wU:33.37,wD:26.33,35.40,(5.74,-3.24,;5.74,-1.7,;4.4,-.93,;3.07,-1.7,;1.73,-.93,;.27,-1.4,;-.64,-.16,;.27,1.09,;1.73,.61,;3.07,1.38,;4.4,.61,;5.74,1.38,;5.74,2.92,;7.07,.61,;8.4,1.38,;8.56,2.92,;10.07,3.24,;10.84,1.9,;12.35,1.58,;12.82,.12,;11.79,-1.03,;10.29,-.71,;9.81,.76,;-2.18,-.16,;-2.94,-1.49,;-4.49,-1.49,;-5.25,-.16,;-4.49,1.18,;-2.94,1.18,;-6.79,-.16,;-7.56,1.18,;-7.56,-1.49,;-6.79,-2.82,;-9.1,-1.49,;-10.19,-2.58,;-11.28,-1.49,;-12.82,-1.49,;-10.19,-.4,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@H](C[C@@H]1C)N(C)C(C)=O |r|
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COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@@H](C[C@H]1C)N(C)C(C)=O |r|
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COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@H](C[C@H]1C)N(C)C(C)=O |r|
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COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@H](O)C[C@@H]1C |r|
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COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@H](O)C[C@@H]1C |r|
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COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC[C@@H](O)[C@H]1C |r|
C[C@H]1C[C@H](O)CC[C@@H]1n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CCC[C@@H](O)[C@H]1C |r|
C[C@H]1C[C@@H](O)CC[C@@H]1n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC[C@H](O)[C@@H]1C |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC[C@@H](O)[C@@H]1C |r|
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COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@](C)(O)CC1 |r,wU:23.26,26.31,wD:26.30,(2.34,3.34,;2.34,4.88,;1,5.65,;-.33,4.88,;-1.66,5.65,;-3.13,5.17,;-4.03,6.42,;-3.13,7.66,;-1.66,7.19,;-.33,7.96,;1,7.19,;2.34,7.96,;2.34,9.5,;3.67,7.19,;5,7.96,;5.17,9.49,;6.67,9.81,;7.44,8.48,;8.95,8.15,;9.42,6.69,;8.39,5.55,;6.89,5.87,;6.41,7.33,;-5.57,6.42,;-6.34,5.08,;-7.88,5.08,;-8.65,6.42,;-9.42,5.08,;-9.42,7.75,;-7.88,7.75,;-6.34,7.75,)|
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COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CCC[C@@](C)(O)C1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H]1CC[C@H](O)C1 |r,wU:26.33,33.37,36.41,wD:23.26,(5.61,-9.99,;5.61,-8.45,;4.27,-7.68,;2.94,-8.45,;1.61,-7.68,;.14,-8.16,;-.76,-6.91,;.14,-5.66,;1.61,-6.14,;2.94,-5.37,;4.27,-6.14,;5.61,-5.37,;5.61,-3.83,;6.94,-6.14,;8.27,-5.37,;8.44,-3.84,;9.94,-3.52,;10.71,-4.85,;12.22,-5.17,;12.69,-6.64,;11.66,-7.78,;10.16,-7.46,;9.68,-6,;-2.3,-6.91,;-3.07,-5.58,;-4.61,-5.58,;-5.38,-6.91,;-4.61,-8.24,;-3.07,-8.24,;-6.92,-6.91,;-7.69,-5.58,;-7.69,-8.24,;-6.92,-9.58,;-9.23,-8.24,;-10.24,-7.08,;-11.66,-7.68,;-11.53,-9.21,;-12.69,-10.22,;-10.03,-9.56,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@@H]1CCC[C@@](C)(O)C1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H]1CC[C@@H](O)C1 |r,wU:33.37,wD:23.26,26.33,36.41,(5.61,-9.99,;5.61,-8.45,;4.27,-7.68,;2.94,-8.45,;1.61,-7.68,;.14,-8.16,;-.76,-6.91,;.14,-5.66,;1.61,-6.14,;2.94,-5.37,;4.27,-6.14,;5.61,-5.37,;5.61,-3.83,;6.94,-6.14,;8.27,-5.37,;8.44,-3.84,;9.94,-3.52,;10.71,-4.85,;12.22,-5.17,;12.69,-6.64,;11.66,-7.78,;10.16,-7.46,;9.68,-6,;-2.3,-6.91,;-3.07,-8.24,;-4.61,-8.24,;-5.38,-6.91,;-4.61,-5.58,;-3.07,-5.58,;-6.92,-6.91,;-7.69,-5.58,;-7.69,-8.24,;-6.92,-9.58,;-9.23,-8.24,;-10.24,-7.08,;-11.66,-7.68,;-11.53,-9.21,;-12.69,-10.22,;-10.03,-9.56,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CCC[C@](C)(O)C1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H]1CC[C@H](O)C1 |r,wU:26.33,33.37,36.41,wD:23.26,(5.61,-9.99,;5.61,-8.45,;4.27,-7.68,;2.94,-8.45,;1.61,-7.68,;.14,-8.15,;-.76,-6.91,;.14,-5.66,;1.61,-6.14,;2.94,-5.37,;4.27,-6.14,;5.61,-5.37,;5.61,-3.83,;6.94,-6.14,;8.27,-5.37,;8.44,-3.84,;9.94,-3.52,;10.71,-4.85,;12.22,-5.17,;12.69,-6.64,;11.66,-7.78,;10.16,-7.46,;9.68,-6,;-2.3,-6.91,;-3.07,-5.58,;-4.61,-5.58,;-5.38,-6.91,;-4.61,-8.24,;-3.07,-8.24,;-6.92,-6.91,;-7.69,-5.58,;-7.69,-8.24,;-6.92,-9.58,;-9.23,-8.24,;-10.24,-7.08,;-11.66,-7.68,;-11.53,-9.21,;-12.69,-10.22,;-10.03,-9.56,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@@H]1CCC[C@](C)(O)C1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)N1CC[C@H](O)C1 |r,wU:26.33,wD:23.26,36.41,(5.68,-3.24,;5.68,-1.7,;4.35,-.93,;3.02,-1.7,;1.68,-.93,;.22,-1.4,;-.69,-.16,;.22,1.09,;1.68,.61,;3.02,1.38,;4.35,.61,;5.68,1.38,;5.68,2.92,;7.02,.61,;8.35,1.38,;8.51,2.92,;10.02,3.24,;10.79,1.9,;12.3,1.58,;12.77,.12,;11.74,-1.03,;10.23,-.71,;9.76,.76,;-2.23,-.16,;-3,1.18,;-4.54,1.18,;-5.31,-.16,;-4.54,-1.49,;-3,-1.49,;-6.85,-.16,;-7.62,1.18,;-7.62,-1.49,;-6.85,-2.82,;-9.16,-1.49,;-10.06,-2.74,;-11.53,-2.26,;-11.53,-.72,;-12.77,.19,;-10.06,-.24,)|
C[C@@]1(O)CCC[C@@H](C1)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)N1CC[C@@H](O)C1 |r,wU:26.33,36.41,wD:23.26,(5.72,-3.23,;5.72,-1.69,;4.39,-.92,;3.07,-1.69,;1.74,-.93,;.27,-1.41,;-.63,-.16,;.27,1.09,;1.74,.61,;3.07,1.38,;4.39,.61,;5.72,1.38,;5.72,2.92,;7.06,.61,;8.39,1.38,;8.55,2.91,;10.06,3.23,;10.83,1.9,;12.34,1.58,;12.81,.12,;11.78,-1.03,;10.28,-.71,;9.8,.76,;-2.18,-.16,;-2.95,1.18,;-4.49,1.18,;-5.26,-.16,;-4.49,-1.49,;-2.95,-1.49,;-6.8,-.16,;-7.57,1.18,;-7.57,-1.49,;-6.8,-2.83,;-9.11,-1.49,;-10.01,-2.74,;-11.48,-2.26,;-11.48,-.72,;-12.81,.05,;-10.01,-.25,)|
C[C@@]1(O)CCC[C@H](C1)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@]2(CC1)COCC(=O)N2C |r,wU:26.39,wD:23.26,(3.44,3.31,;3.44,4.85,;2.1,5.62,;.77,4.85,;-.56,5.62,;-2.03,5.14,;-2.93,6.39,;-2.03,7.64,;-.56,7.16,;.77,7.93,;2.1,7.16,;3.44,7.93,;3.44,9.47,;4.77,7.16,;6.11,7.93,;6.11,9.47,;7.57,9.95,;8.48,8.7,;10.01,8.54,;10.63,7.13,;9.73,5.89,;8.2,6.05,;7.57,7.45,;-4.47,6.39,;-5.24,7.72,;-6.78,7.72,;-7.55,6.39,;-6.78,5.06,;-5.24,5.06,;-8.32,7.72,;-9.86,7.72,;-10.63,6.39,;-9.86,5.06,;-10.63,3.72,;-8.32,5.06,;-7.55,3.72,)|
O[C@H]1CC[C@H](CC1)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r,wU:4.7,1.0,(-9.81,.51,;-8.27,.51,;-7.5,1.84,;-5.96,1.84,;-5.19,.51,;-5.96,-.82,;-7.5,-.82,;-3.65,.51,;-2.74,1.76,;-1.28,1.28,;.05,2.05,;1.39,1.28,;2.72,2.05,;2.72,3.59,;4.06,1.28,;5.39,2.05,;5.55,3.58,;7.06,3.9,;7.83,2.57,;9.33,2.25,;9.81,.78,;8.78,-.36,;7.27,-.04,;6.8,1.42,;1.39,-.26,;2.72,-1.03,;2.72,-2.57,;1.95,-3.9,;3.49,-3.9,;.05,-1.03,;-1.28,-.26,;-2.74,-.73,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@]2(CC1)COCC(=O)N2C |r,wD:23.26,26.39,(3.44,3.31,;3.44,4.85,;2.1,5.62,;.77,4.85,;-.56,5.62,;-2.03,5.14,;-2.93,6.39,;-2.03,7.64,;-.56,7.16,;.77,7.93,;2.1,7.16,;3.44,7.93,;3.44,9.47,;4.77,7.16,;6.11,7.93,;6.11,9.47,;7.57,9.95,;8.48,8.7,;10.01,8.54,;10.63,7.13,;9.73,5.89,;8.2,6.05,;7.57,7.45,;-4.47,6.39,;-5.24,7.72,;-6.78,7.72,;-7.55,6.39,;-6.78,5.06,;-5.24,5.06,;-8.32,7.72,;-9.86,7.72,;-10.63,6.39,;-9.86,5.06,;-10.63,3.72,;-8.32,5.06,;-7.55,3.72,)|
O[C@H]1CC[C@@H](CC1)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r,wU:1.0,wD:4.7,(-9.81,.51,;-8.27,.51,;-7.5,1.84,;-5.96,1.84,;-5.19,.51,;-5.96,-.82,;-7.5,-.82,;-3.65,.51,;-2.74,1.76,;-1.28,1.28,;.05,2.05,;1.39,1.28,;2.72,2.05,;2.72,3.59,;4.06,1.28,;5.39,2.05,;5.55,3.58,;7.06,3.9,;7.83,2.57,;9.33,2.25,;9.81,.78,;8.78,-.36,;7.27,-.04,;6.8,1.42,;1.39,-.26,;2.72,-1.03,;2.72,-2.57,;1.95,-3.9,;3.49,-3.9,;.05,-1.03,;-1.28,-.26,;-2.74,-.73,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@@]2(CCC(=O)N2C)C[C@H]1C |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)O |r,wU:26.33,wD:23.26,33.39,(4.21,-3.32,;4.21,-1.78,;2.87,-1.01,;1.54,-1.78,;.2,-1.01,;-1.26,-1.49,;-2.17,-.24,;-1.26,1,;.2,.53,;1.54,1.3,;2.87,.53,;4.21,1.3,;4.21,2.84,;5.54,.53,;6.87,1.3,;6.86,2.84,;8.32,3.32,;9.24,2.08,;10.77,1.93,;11.41,.53,;10.51,-.72,;8.98,-.57,;8.34,.83,;-3.71,-.24,;-4.48,1.09,;-6.02,1.09,;-6.79,-.24,;-6.02,-1.58,;-4.48,-1.58,;-8.33,-.24,;-9.1,1.09,;-9.1,-1.58,;-8.33,-2.91,;-10.64,-1.58,;-11.41,-.24,;-11.41,-2.91,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@H](C)O |r,wU:26.33,33.39,wD:23.26,(4.21,-3.32,;4.21,-1.78,;2.87,-1.01,;1.54,-1.78,;.2,-1.01,;-1.26,-1.49,;-2.17,-.24,;-1.26,1,;.2,.53,;1.54,1.3,;2.87,.53,;4.21,1.3,;4.21,2.84,;5.54,.53,;6.87,1.3,;6.86,2.84,;8.32,3.32,;9.24,2.08,;10.77,1.93,;11.41,.53,;10.51,-.72,;8.98,-.57,;8.34,.83,;-3.71,-.24,;-4.48,1.09,;-6.02,1.09,;-6.79,-.24,;-6.02,-1.58,;-4.48,-1.58,;-8.33,-.24,;-9.1,1.09,;-9.1,-1.58,;-8.33,-2.91,;-10.64,-1.58,;-11.41,-.24,;-11.41,-2.91,)|
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@]2(CCC(=O)N2C)C[C@H]1C |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@@H]1CC[C@H](C[C@H]1C)N(C)C(C)=O |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@@H]1CC[C@H](C[C@@H]1C)N(C)C(C)=O |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@H](C[C@@H]1C)N(C)C(C)=O |r|
COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@H](C[C@@H]1C)N(C)C(C)=O |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC3)sc2c1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)[C@H]3C[C@H]3F)sc2c1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@H]3F)sc2c1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3C[C@H]3c3cccnc3)sc2c1 |r|
CO[C@H]1C[C@H](C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:4.6,24.26,2.1,wD:28.32,(-12.05,2.55,;-11.52,1.1,;-9.98,1.1,;-8.89,2.19,;-7.8,1.1,;-8.89,.01,;-6.26,1.1,;-5.49,-.23,;-5.49,2.44,;-3.95,2.44,;-3.05,3.68,;-1.58,3.21,;-.25,3.98,;1.08,3.21,;1.08,1.67,;-.25,.9,;-1.58,1.67,;-3.05,1.19,;2.42,.9,;2.42,-.64,;3.75,-1.41,;5.08,-.64,;6.42,-1.41,;7.75,-.64,;9.08,-1.41,;10.49,-.79,;11.52,-1.93,;10.75,-3.27,;9.25,-2.95,;8.1,-3.98,;5.08,.9,;3.75,1.67,)|
Cn1cc(cn1)[C@@H]1CC1C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3C[C@H]3c3ccncc3)sc2c1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3C[C@H]3C3CCOCC3)sc2c1 |r|
COc1ccc(cc1)[C@@H]1CC1C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC3)sc2c1Cl |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC3)sc2c1F |r|
CCCOCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC3)sc2c1
O[C@H]1CC(F)(F)C[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC3)sc2c1 |r|
O=C(Nc1nc2ccc(cc2s1)-c1cnc(COC2CCCC2)nc1)C1CC1
O=C(Nc1nc2ccc(cc2s1)-c1cnc(COC2CCC2)nc1)C1CC1
FC1(F)CC(C1)OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC3)sc2c1
O=C(Nc1nc2ccc(cc2s1)-c1cnc(COC[C@@H]2CCCO2)nc1)C1CC1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOCC3)sc2c1 |r,wU:5.6,wD:1.0,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,2.44,;-12.29,2.44,;-13.06,1.1,;-12.29,-.23,;-10.75,-.23,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CC(F)C3)sc2c1 |r,wU:5.6,wD:1.0,(9.96,-3.98,;11.1,-2.95,;12.61,-3.27,;13.38,-1.93,;12.35,-.79,;10.94,-1.41,;9.61,-.64,;8.28,-1.41,;6.94,-.64,;5.61,-1.41,;4.28,-.64,;4.28,.9,;5.61,1.67,;6.94,.9,;2.94,1.67,;2.94,3.21,;1.61,3.98,;.27,3.21,;-1.19,3.68,;-2.1,2.44,;-3.64,2.44,;-4.41,1.1,;-3.64,-.23,;-5.95,1.1,;-7.03,2.19,;-8.12,1.1,;-7.03,.01,;-9.66,1.1,;-10.75,2.19,;-11.84,1.1,;-13.38,1.1,;-10.75,.01,;-1.19,1.19,;.27,1.67,;1.61,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CC[C@@H](F)C3)sc2c1 |r,wU:5.6,30.33,wD:1.0,(9.91,-3.98,;11.05,-2.95,;12.56,-3.27,;13.33,-1.93,;12.3,-.79,;10.89,-1.41,;9.56,-.64,;8.23,-1.41,;6.89,-.64,;5.56,-1.41,;4.22,-.64,;4.22,.9,;5.56,1.67,;6.89,.9,;2.89,1.67,;2.89,3.21,;1.56,3.98,;.22,3.21,;-1.24,3.68,;-2.15,2.44,;-3.69,2.44,;-4.46,1.1,;-3.69,-.23,;-6,1.1,;-7.09,2.19,;-8.17,1.1,;-7.09,.01,;-9.71,1.1,;-10.62,-.14,;-12.08,.33,;-12.08,1.87,;-13.33,2.78,;-10.62,2.35,;-1.24,1.19,;.22,1.67,;1.56,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CC[C@H](F)C3)sc2c1 |r,wU:5.6,wD:1.0,30.33,(9.91,-3.98,;11.05,-2.95,;12.56,-3.27,;13.33,-1.93,;12.3,-.79,;10.89,-1.41,;9.56,-.64,;8.23,-1.41,;6.89,-.64,;5.56,-1.41,;4.22,-.64,;4.22,.9,;5.56,1.67,;6.89,.9,;2.89,1.67,;2.89,3.21,;1.56,3.98,;.22,3.21,;-1.24,3.68,;-2.15,2.44,;-3.69,2.44,;-4.46,1.1,;-3.69,-.23,;-6,1.1,;-7.09,2.19,;-8.17,1.1,;-7.09,.01,;-9.71,1.1,;-10.62,-.14,;-12.08,.33,;-12.08,1.87,;-13.33,2.78,;-10.62,2.35,;-1.24,1.19,;.22,1.67,;1.56,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCCOCC3)sc2c1 |r,wU:5.6,wD:1.0,(9.79,-3.98,;10.93,-2.95,;12.44,-3.27,;13.21,-1.93,;12.18,-.79,;10.77,-1.41,;9.44,-.64,;8.1,-1.41,;6.77,-.64,;5.44,-1.41,;4.1,-.64,;4.1,.9,;5.44,1.67,;6.77,.9,;2.77,1.67,;2.77,3.21,;1.44,3.98,;.1,3.21,;-1.36,3.68,;-2.27,2.44,;-3.81,2.44,;-4.58,1.1,;-3.81,-.23,;-6.12,1.1,;-7.21,2.19,;-8.3,1.1,;-7.21,.01,;-9.84,1.1,;-10.5,2.49,;-12.01,2.83,;-13.21,1.87,;-13.21,.33,;-12.01,-.63,;-10.5,-.29,;-1.36,1.19,;.1,1.67,;1.44,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCC(F)(F)CC3)sc2c1 |r,wU:5.6,wD:1.0,(10.31,-3.98,;11.45,-2.95,;12.96,-3.27,;13.73,-1.93,;12.7,-.79,;11.29,-1.41,;9.96,-.64,;8.62,-1.41,;7.29,-.64,;5.96,-1.41,;4.62,-.64,;4.62,.9,;5.96,1.67,;7.29,.9,;3.29,1.67,;3.29,3.21,;1.96,3.98,;.62,3.21,;-.84,3.68,;-1.75,2.44,;-3.29,2.44,;-4.06,1.1,;-3.29,-.23,;-5.6,1.1,;-6.69,2.19,;-7.78,1.1,;-6.69,.01,;-9.32,1.1,;-10.09,2.44,;-11.63,2.44,;-12.4,1.1,;-13.73,1.87,;-13.73,.33,;-11.63,-.23,;-10.09,-.23,;-.84,1.19,;.62,1.67,;1.96,.9,)|
C[C@@H]1COCCN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:29.32,1.0,wD:33.38,(-9.98,3.77,;-10.75,2.44,;-12.29,2.44,;-13.06,1.1,;-12.29,-.23,;-10.75,-.23,;-9.98,1.1,;-8.44,1.1,;-7.35,2.19,;-6.26,1.1,;-7.35,.01,;-4.72,1.1,;-3.95,-.23,;-3.95,2.44,;-2.41,2.44,;-1.51,3.68,;-.04,3.21,;1.29,3.98,;2.62,3.21,;2.62,1.67,;1.29,.9,;-.04,1.67,;-1.51,1.19,;3.96,.9,;3.96,-.64,;5.29,-1.41,;6.62,-.64,;7.96,-1.41,;9.29,-.64,;10.62,-1.41,;12.03,-.79,;13.06,-1.93,;12.29,-3.27,;10.79,-2.95,;9.64,-3.98,;6.62,.9,;5.29,1.67,)|
C[C@H]1COCCN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:29.32,wD:33.38,1.0,(-9.98,3.77,;-10.75,2.44,;-12.29,2.44,;-13.06,1.1,;-12.29,-.23,;-10.75,-.23,;-9.98,1.1,;-8.44,1.1,;-7.35,2.19,;-6.26,1.1,;-7.35,.01,;-4.72,1.1,;-3.95,-.23,;-3.95,2.44,;-2.41,2.44,;-1.51,3.68,;-.04,3.21,;1.29,3.98,;2.62,3.21,;2.62,1.67,;1.29,.9,;-.04,1.67,;-1.51,1.19,;3.96,.9,;3.96,-.64,;5.29,-1.41,;6.62,-.64,;7.96,-1.41,;9.29,-.64,;10.62,-1.41,;12.03,-.79,;13.06,-1.93,;12.29,-3.27,;10.79,-2.95,;9.64,-3.98,;6.62,.9,;5.29,1.67,)|
C[C@H]1CN(CCO1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:29.32,1.0,wD:33.38,(-13.06,3.77,;-12.29,2.44,;-10.75,2.44,;-9.98,1.1,;-10.75,-.23,;-12.29,-.23,;-13.06,1.1,;-8.44,1.1,;-7.35,2.19,;-6.26,1.1,;-7.35,.01,;-4.72,1.1,;-3.95,-.23,;-3.95,2.44,;-2.41,2.44,;-1.51,3.68,;-.04,3.21,;1.29,3.98,;2.62,3.21,;2.62,1.67,;1.29,.9,;-.04,1.67,;-1.51,1.19,;3.96,.9,;3.96,-.64,;5.29,-1.41,;6.62,-.64,;7.96,-1.41,;9.29,-.64,;10.62,-1.41,;12.03,-.79,;13.06,-1.93,;12.29,-3.27,;10.79,-2.95,;9.64,-3.98,;6.62,.9,;5.29,1.67,)|
C[C@@H]1CN(CCO1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:29.32,wD:33.38,1.0,(-13.06,3.77,;-12.29,2.44,;-10.75,2.44,;-9.98,1.1,;-10.75,-.23,;-12.29,-.23,;-13.06,1.1,;-8.44,1.1,;-7.35,2.19,;-6.26,1.1,;-7.35,.01,;-4.72,1.1,;-3.95,-.23,;-3.95,2.44,;-2.41,2.44,;-1.51,3.68,;-.04,3.21,;1.29,3.98,;2.62,3.21,;2.62,1.67,;1.29,.9,;-.04,1.67,;-1.51,1.19,;3.96,.9,;3.96,-.64,;5.29,-1.41,;6.62,-.64,;7.96,-1.41,;9.29,-.64,;10.62,-1.41,;12.03,-.79,;13.06,-1.93,;12.29,-3.27,;10.79,-2.95,;9.64,-3.98,;6.62,.9,;5.29,1.67,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CC4CC(C3)O4)sc2c1 |r,wU:5.6,wD:1.0,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,2.44,;-12.29,2.44,;-11.52,1.1,;-12.29,-.23,;-10.75,-.23,;-13.06,1.1,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCCC(F)(F)C3)sc2c1 |r,wU:5.6,wD:1.0,(9.92,-3.98,;11.07,-2.95,;12.57,-3.27,;13.34,-1.93,;12.31,-.79,;10.91,-1.41,;9.57,-.64,;8.24,-1.41,;6.91,-.64,;5.57,-1.41,;4.24,-.64,;4.24,.9,;5.57,1.67,;6.91,.9,;2.9,1.67,;2.9,3.21,;1.57,3.98,;.24,3.21,;-1.23,3.68,;-2.13,2.44,;-3.67,2.44,;-4.44,1.1,;-3.67,-.23,;-5.98,1.1,;-7.07,2.19,;-8.16,1.1,;-7.07,.01,;-9.7,1.1,;-10.47,-.23,;-12.01,-.23,;-12.78,1.1,;-12.01,2.44,;-12.41,3.92,;-13.34,3.21,;-10.47,2.44,;-1.23,1.19,;.24,1.67,;1.57,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCC(F)CC3)sc2c1 |r,wU:5.6,wD:1.0,(10.41,-3.98,;11.56,-2.95,;13.06,-3.27,;13.83,-1.93,;12.8,-.79,;11.39,-1.41,;10.06,-.64,;8.73,-1.41,;7.39,-.64,;6.06,-1.41,;4.73,-.64,;4.73,.9,;6.06,1.67,;7.39,.9,;3.39,1.67,;3.39,3.21,;2.06,3.98,;.73,3.21,;-.74,3.68,;-1.64,2.44,;-3.18,2.44,;-3.95,1.1,;-3.18,-.23,;-5.49,1.1,;-6.58,2.19,;-7.67,1.1,;-6.58,.01,;-9.21,1.1,;-9.98,2.44,;-11.52,2.44,;-12.29,1.1,;-13.83,1.1,;-11.52,-.23,;-9.98,-.23,;-.74,1.19,;.73,1.67,;2.06,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CC(F)(F)C3)sc2c1 |r,wU:5.6,wD:1.0,(9.86,-3.98,;11,-2.95,;12.51,-3.27,;13.28,-1.93,;12.25,-.79,;10.84,-1.41,;9.51,-.64,;8.17,-1.41,;6.84,-.64,;5.51,-1.41,;4.17,-.64,;4.17,.9,;5.51,1.67,;6.84,.9,;2.84,1.67,;2.84,3.21,;1.5,3.98,;.17,3.21,;-1.29,3.68,;-2.2,2.44,;-3.74,2.44,;-4.51,1.1,;-3.74,-.23,;-6.05,1.1,;-7.14,2.19,;-8.23,1.1,;-7.14,.01,;-9.77,1.1,;-10.86,2.19,;-11.94,1.1,;-13.28,1.87,;-13.28,.33,;-10.86,.01,;-1.29,1.19,;.17,1.67,;1.5,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCC(F)(F)C3)sc2c1 |r,wU:5.6,wD:1.0,(10.06,-3.98,;11.2,-2.95,;12.71,-3.27,;13.48,-1.93,;12.45,-.79,;11.04,-1.41,;9.71,-.64,;8.37,-1.41,;7.04,-.64,;5.71,-1.41,;4.37,-.64,;4.37,.9,;5.71,1.67,;7.04,.9,;3.04,1.67,;3.04,3.21,;1.7,3.98,;.37,3.21,;-1.09,3.68,;-2,2.44,;-3.54,2.44,;-4.31,1.1,;-3.54,-.23,;-5.85,1.1,;-6.94,2.19,;-8.03,1.1,;-6.94,.01,;-9.57,1.1,;-10.47,2.35,;-11.94,1.87,;-11.94,.33,;-13.48,.33,;-12.71,-1,;-10.47,-.14,;-1.09,1.19,;.37,1.67,;1.7,.9,)|
CO[C@H]1CCN(C1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:29.32,2.1,wD:33.38,(-14.03,.05,;-12.63,-.57,;-11.38,.33,;-11.38,1.87,;-9.92,2.35,;-9.01,1.1,;-9.92,-.14,;-7.47,1.1,;-6.38,2.19,;-5.29,1.1,;-6.38,.01,;-3.75,1.1,;-2.98,-.23,;-2.98,2.44,;-1.44,2.44,;-.54,3.68,;.93,3.21,;2.26,3.98,;3.59,3.21,;3.59,1.67,;2.26,.9,;.93,1.67,;-.54,1.19,;4.93,.9,;4.93,-.64,;6.26,-1.41,;7.6,-.64,;8.93,-1.41,;10.26,-.64,;11.6,-1.41,;13,-.79,;14.03,-1.93,;13.26,-3.27,;11.76,-2.95,;10.61,-3.98,;7.6,.9,;6.26,1.67,)|
CO[C@@H]1CCN(C1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:29.32,wD:33.38,2.1,(-14.03,.05,;-12.63,-.57,;-11.38,.33,;-11.38,1.87,;-9.92,2.35,;-9.01,1.1,;-9.92,-.14,;-7.47,1.1,;-6.38,2.19,;-5.29,1.1,;-6.38,.01,;-3.75,1.1,;-2.98,-.23,;-2.98,2.44,;-1.44,2.44,;-.54,3.68,;.93,3.21,;2.26,3.98,;3.59,3.21,;3.59,1.67,;2.26,.9,;.93,1.67,;-.54,1.19,;4.93,.9,;4.93,-.64,;6.26,-1.41,;7.6,-.64,;8.93,-1.41,;10.26,-.64,;11.6,-1.41,;13,-.79,;14.03,-1.93,;13.26,-3.27,;11.76,-2.95,;10.61,-3.98,;7.6,.9,;6.26,1.67,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCC[C@@H](F)C3)sc2c1 |r,wU:5.6,31.34,wD:1.0,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,-.23,;-12.29,-.23,;-13.06,1.1,;-12.29,2.44,;-13.06,3.77,;-10.75,2.44,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCC[C@H](F)C3)sc2c1 |r,wU:5.6,wD:1.0,31.34,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,-.23,;-12.29,-.23,;-13.06,1.1,;-12.29,2.44,;-13.06,3.77,;-10.75,2.44,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
CC1(C)CN(CCO1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:30.33,wD:34.39,(-12.01,-1.77,;-12.01,-.23,;-13.34,-1,;-10.47,-.23,;-9.7,1.1,;-10.47,2.44,;-12.01,2.44,;-12.78,1.1,;-8.16,1.1,;-7.07,2.19,;-5.98,1.1,;-7.07,.01,;-4.44,1.1,;-3.67,-.23,;-3.67,2.44,;-2.13,2.44,;-1.23,3.68,;.24,3.21,;1.57,3.98,;2.9,3.21,;2.9,1.67,;1.57,.9,;.24,1.67,;-1.23,1.19,;4.24,.9,;4.24,-.64,;5.57,-1.41,;6.91,-.64,;8.24,-1.41,;9.57,-.64,;10.91,-1.41,;12.31,-.79,;13.34,-1.93,;12.57,-3.27,;11.07,-2.95,;9.92,-3.98,;6.91,.9,;5.57,1.67,)|
C[C@H]1CN(C[C@@H](C)O1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:30.33,5.5,1.0,wD:34.39,(-13.06,3.77,;-12.29,2.44,;-10.75,2.44,;-9.98,1.1,;-10.75,-.23,;-12.29,-.23,;-13.06,-1.57,;-13.06,1.1,;-8.44,1.1,;-7.35,2.19,;-6.26,1.1,;-7.35,.01,;-4.72,1.1,;-3.95,-.23,;-3.95,2.44,;-2.41,2.44,;-1.51,3.68,;-.04,3.21,;1.29,3.98,;2.62,3.21,;2.62,1.67,;1.29,.9,;-.04,1.67,;-1.51,1.19,;3.96,.9,;3.96,-.64,;5.29,-1.41,;6.62,-.64,;7.96,-1.41,;9.29,-.64,;10.62,-1.41,;12.03,-.79,;13.06,-1.93,;12.29,-3.27,;10.79,-2.95,;9.64,-3.98,;6.62,.9,;5.29,1.67,)|
CC[C@H]1COCCN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:30.33,2.1,wD:34.39,(-10.75,-2.9,;-9.98,-1.57,;-10.75,-.23,;-12.29,-.23,;-13.06,1.1,;-12.29,2.44,;-10.75,2.44,;-9.98,1.1,;-8.44,1.1,;-7.35,2.19,;-6.26,1.1,;-7.35,.01,;-4.72,1.1,;-3.95,-.23,;-3.95,2.44,;-2.41,2.44,;-1.51,3.68,;-.04,3.21,;1.29,3.98,;2.62,3.21,;2.62,1.67,;1.29,.9,;-.04,1.67,;-1.51,1.19,;3.96,.9,;3.96,-.64,;5.29,-1.41,;6.62,-.64,;7.96,-1.41,;9.29,-.64,;10.62,-1.41,;12.03,-.79,;13.06,-1.93,;12.29,-3.27,;10.79,-2.95,;9.64,-3.98,;6.62,.9,;5.29,1.67,)|
CC[C@@H]1COCCN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:30.33,wD:34.39,2.1,(-10.75,-2.9,;-9.98,-1.57,;-10.75,-.23,;-12.29,-.23,;-13.06,1.1,;-12.29,2.44,;-10.75,2.44,;-9.98,1.1,;-8.44,1.1,;-7.35,2.19,;-6.26,1.1,;-7.35,.01,;-4.72,1.1,;-3.95,-.23,;-3.95,2.44,;-2.41,2.44,;-1.51,3.68,;-.04,3.21,;1.29,3.98,;2.62,3.21,;2.62,1.67,;1.29,.9,;-.04,1.67,;-1.51,1.19,;3.96,.9,;3.96,-.64,;5.29,-1.41,;6.62,-.64,;7.96,-1.41,;9.29,-.64,;10.62,-1.41,;12.03,-.79,;13.06,-1.93,;12.29,-3.27,;10.79,-2.95,;9.64,-3.98,;6.62,.9,;5.29,1.67,)|
CN1CCN(CC1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:29.32,wD:33.38,(-13.83,1.1,;-12.29,1.1,;-11.52,-.23,;-9.98,-.23,;-9.21,1.1,;-9.98,2.44,;-11.52,2.44,;-7.67,1.1,;-6.58,2.19,;-5.49,1.1,;-6.58,.01,;-3.95,1.1,;-3.18,-.23,;-3.18,2.44,;-1.64,2.44,;-.74,3.68,;.73,3.21,;2.06,3.98,;3.39,3.21,;3.39,1.67,;2.06,.9,;.73,1.67,;-.74,1.19,;4.73,.9,;4.73,-.64,;6.06,-1.41,;7.39,-.64,;8.73,-1.41,;10.06,-.64,;11.39,-1.41,;12.8,-.79,;13.83,-1.93,;13.06,-3.27,;11.56,-2.95,;10.41,-3.98,;7.39,.9,;6.06,1.67,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCN(CC(F)(F)F)CC3)sc2c1 |r,wU:5.6,wD:1.0,(10.8,-3.98,;11.94,-2.95,;13.45,-3.27,;14.22,-1.93,;13.19,-.79,;11.78,-1.41,;10.45,-.64,;9.11,-1.41,;7.78,-.64,;6.45,-1.41,;5.11,-.64,;5.11,.9,;6.45,1.67,;7.78,.9,;3.78,1.67,;3.78,3.21,;2.44,3.98,;1.11,3.21,;-.35,3.68,;-1.26,2.44,;-2.8,2.44,;-3.57,1.1,;-2.8,-.23,;-5.11,1.1,;-6.2,2.19,;-7.29,1.1,;-6.2,.01,;-8.83,1.1,;-9.6,-.23,;-11.14,-.23,;-11.91,1.1,;-13.45,1.1,;-14.22,-.23,;-15.76,-.23,;-13.45,-1.56,;-14.99,-1.56,;-11.14,2.44,;-9.6,2.44,;-.35,1.19,;1.11,1.67,;2.44,.9,)|
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C[C@@H]1CCCN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:28.31,wD:32.37,1.0,(-10.77,-1.61,;-11.24,-.14,;-12.71,.33,;-12.71,1.87,;-11.24,2.35,;-10.34,1.1,;-8.8,1.1,;-7.71,2.19,;-6.62,1.1,;-7.71,.01,;-5.08,1.1,;-4.31,-.23,;-4.31,2.44,;-2.77,2.44,;-1.86,3.68,;-.4,3.21,;.93,3.98,;2.27,3.21,;2.27,1.67,;.93,.9,;-.4,1.67,;-1.86,1.19,;3.6,.9,;3.6,-.64,;4.94,-1.41,;6.27,-.64,;7.6,-1.41,;8.94,-.64,;10.27,-1.41,;11.68,-.79,;12.71,-1.93,;11.94,-3.27,;10.43,-2.95,;9.29,-3.98,;6.27,.9,;4.94,1.67,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCN(CC3)C3CC3)sc2c1 |r,wU:5.6,wD:1.0,(11.08,-3.98,;12.22,-2.95,;13.73,-3.27,;14.5,-1.93,;13.47,-.79,;12.06,-1.41,;10.73,-.64,;9.39,-1.41,;8.06,-.64,;6.73,-1.41,;5.39,-.64,;5.39,.9,;6.73,1.67,;8.06,.9,;4.06,1.67,;4.06,3.21,;2.73,3.98,;1.39,3.21,;-.07,3.68,;-.98,2.44,;-2.52,2.44,;-3.29,1.1,;-2.52,-.23,;-4.83,1.1,;-5.92,2.19,;-7.01,1.1,;-5.92,.01,;-8.55,1.1,;-9.32,2.44,;-10.86,2.44,;-11.63,1.1,;-10.86,-.23,;-9.32,-.23,;-13.17,1.1,;-14.5,1.87,;-14.5,.33,;-.07,1.19,;1.39,1.67,;2.73,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC34CC(C3)C4)sc2c1 |r,wU:5.6,wD:1.0,(9.23,-3.98,;10.37,-2.95,;11.88,-3.27,;12.65,-1.93,;11.62,-.79,;10.21,-1.41,;8.88,-.64,;7.55,-1.41,;6.21,-.64,;4.88,-1.41,;3.55,-.64,;3.55,.9,;4.88,1.67,;6.21,.9,;2.21,1.67,;2.21,3.21,;.88,3.98,;-.46,3.21,;-1.92,3.68,;-2.83,2.44,;-4.37,2.44,;-5.14,1.1,;-4.37,-.23,;-6.68,1.1,;-7.76,2.19,;-8.85,1.1,;-7.76,.01,;-10.39,1.1,;-11.16,-.23,;-12.65,-.63,;-12.25,-2.12,;-10.76,-1.72,;-11.98,-1.1,;-1.92,1.19,;-.46,1.67,;.88,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOC(C3)C3CC3)sc2c1 |r,wU:5.6,wD:1.0,(10.31,-3.98,;11.45,-2.95,;12.96,-3.27,;13.73,-1.93,;12.7,-.79,;11.29,-1.41,;9.96,-.64,;8.62,-1.41,;7.29,-.64,;5.96,-1.41,;4.62,-.64,;4.62,.9,;5.96,1.67,;7.29,.9,;3.29,1.67,;3.29,3.21,;1.96,3.98,;.62,3.21,;-.84,3.68,;-1.75,2.44,;-3.29,2.44,;-4.06,1.1,;-3.29,-.23,;-5.6,1.1,;-6.69,2.19,;-7.78,1.1,;-6.69,.01,;-9.32,1.1,;-10.09,2.44,;-11.63,2.44,;-12.4,1.1,;-11.63,-.23,;-10.09,-.23,;-12.4,-1.57,;-13.73,-2.34,;-12.4,-3.11,;-.84,1.19,;.62,1.67,;1.96,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3C[C@@H]4C[C@H]3CO4)sc2c1 |r,wU:5.6,31.33,29.32,wD:1.0,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,2.44,;-12.29,2.44,;-11.17,1.32,;-10.75,-.23,;-12.29,-.23,;-13.06,1.1,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
CC(C)[C@H]1COCCN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:31.34,3.2,wD:35.40,(-10.75,-2.9,;-9.98,-1.57,;-8.44,-1.57,;-10.75,-.23,;-12.29,-.23,;-13.06,1.1,;-12.29,2.44,;-10.75,2.44,;-9.98,1.1,;-8.44,1.1,;-7.35,2.19,;-6.26,1.1,;-7.35,.01,;-4.72,1.1,;-3.95,-.23,;-3.95,2.44,;-2.41,2.44,;-1.51,3.68,;-.04,3.21,;1.29,3.98,;2.62,3.21,;2.62,1.67,;1.29,.9,;-.04,1.67,;-1.51,1.19,;3.96,.9,;3.96,-.64,;5.29,-1.41,;6.62,-.64,;7.96,-1.41,;9.29,-.64,;10.62,-1.41,;12.03,-.79,;13.06,-1.93,;12.29,-3.27,;10.79,-2.95,;9.64,-3.98,;6.62,.9,;5.29,1.67,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOCC33CCC3)sc2c1 |r,wU:5.6,wD:1.0,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,2.44,;-12.29,2.44,;-13.06,1.1,;-12.29,-.23,;-10.75,-.23,;-11.16,-1.72,;-9.67,-2.12,;-9.27,-.64,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
CC(C)[C@@H]1COCCN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:31.34,wD:35.40,3.2,(-10.75,-2.9,;-9.98,-1.57,;-8.44,-1.57,;-10.75,-.23,;-12.29,-.23,;-13.06,1.1,;-12.29,2.44,;-10.75,2.44,;-9.98,1.1,;-8.44,1.1,;-7.35,2.19,;-6.26,1.1,;-7.35,.01,;-4.72,1.1,;-3.95,-.23,;-3.95,2.44,;-2.41,2.44,;-1.51,3.68,;-.04,3.21,;1.29,3.98,;2.62,3.21,;2.62,1.67,;1.29,.9,;-.04,1.67,;-1.51,1.19,;3.96,.9,;3.96,-.64,;5.29,-1.41,;6.62,-.64,;7.96,-1.41,;9.29,-.64,;10.62,-1.41,;12.03,-.79,;13.06,-1.93,;12.29,-3.27,;10.79,-2.95,;9.64,-3.98,;6.62,.9,;5.29,1.67,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOCC(F)(F)C3)sc2c1 |r,wU:5.6,wD:1.0,(9.79,-4.15,;10.93,-3.12,;12.44,-3.44,;13.21,-2.1,;12.18,-.96,;10.77,-1.59,;9.44,-.82,;8.1,-1.59,;6.77,-.82,;5.44,-1.59,;4.1,-.82,;4.1,.72,;5.44,1.49,;6.77,.72,;2.77,1.49,;2.77,3.03,;1.44,3.8,;.1,3.03,;-1.36,3.51,;-2.27,2.26,;-3.81,2.26,;-4.58,.93,;-3.81,-.4,;-6.12,.93,;-7.21,2.02,;-8.3,.93,;-7.21,-.16,;-9.84,.93,;-10.5,-.46,;-12.01,-.8,;-13.21,.16,;-13.21,1.7,;-12.01,2.66,;-11.61,4.15,;-13.09,3.75,;-10.5,2.32,;-1.36,1.02,;.1,1.49,;1.44,.72,)|
CC1COCCCN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:30.33,wD:34.39,(-9.54,-1.49,;-10.5,-.29,;-12.01,-.63,;-13.21,.33,;-13.21,1.87,;-12.01,2.83,;-10.5,2.49,;-9.84,1.1,;-8.3,1.1,;-7.21,2.19,;-6.12,1.1,;-7.21,.01,;-4.58,1.1,;-3.81,-.23,;-3.81,2.44,;-2.27,2.44,;-1.36,3.68,;.1,3.21,;1.44,3.98,;2.77,3.21,;2.77,1.67,;1.44,.9,;.1,1.67,;-1.36,1.19,;4.1,.9,;4.1,-.64,;5.44,-1.41,;6.77,-.64,;8.1,-1.41,;9.44,-.64,;10.77,-1.41,;12.18,-.79,;13.21,-1.93,;12.44,-3.27,;10.93,-2.95,;9.79,-3.98,;6.77,.9,;5.44,1.67,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOCC33CC3)sc2c1 |r,wU:5.6,wD:1.0,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,2.44,;-12.29,2.44,;-13.06,1.1,;-12.29,-.23,;-10.75,-.23,;-10.76,-1.77,;-9.42,-1.01,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
CC(=O)N1CCN(CC1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:31.34,wD:35.40,(-14.22,2.44,;-13.45,1.1,;-14.22,-.23,;-11.91,1.1,;-11.14,2.44,;-9.6,2.44,;-8.83,1.1,;-9.6,-.23,;-11.14,-.23,;-7.29,1.1,;-6.2,2.19,;-5.11,1.1,;-6.2,.01,;-3.57,1.1,;-2.8,-.23,;-2.8,2.44,;-1.26,2.44,;-.35,3.68,;1.11,3.21,;2.44,3.98,;3.78,3.21,;3.78,1.67,;2.44,.9,;1.11,1.67,;-.35,1.19,;5.11,.9,;5.11,-.64,;6.45,-1.41,;7.78,-.64,;9.11,-1.41,;10.45,-.64,;11.78,-1.41,;13.19,-.79,;14.22,-1.93,;13.45,-3.27,;11.94,-2.95,;10.8,-3.98,;7.78,.9,;6.45,1.67,)|
COC[C@@H]1CCN(C1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:30.33,wD:34.39,3.2,(-14.66,-.85,;-13.41,.05,;-12,-.57,;-10.76,.33,;-10.76,1.87,;-9.29,2.35,;-8.39,1.1,;-9.29,-.14,;-6.85,1.1,;-5.76,2.19,;-4.67,1.1,;-5.76,.01,;-3.13,1.1,;-2.36,-.23,;-2.36,2.44,;-.82,2.44,;.09,3.68,;1.55,3.21,;2.88,3.98,;4.22,3.21,;4.22,1.67,;2.88,.9,;1.55,1.67,;.09,1.19,;5.55,.9,;5.55,-.64,;6.88,-1.41,;8.22,-.64,;9.55,-1.41,;10.89,-.64,;12.22,-1.41,;13.63,-.79,;14.66,-1.93,;13.89,-3.27,;12.38,-2.95,;11.24,-3.98,;8.22,.9,;6.88,1.67,)|
O[C@H]1CCN(C1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:28.31,1.0,wD:32.37,(-13.33,-.57,;-12.08,.33,;-12.08,1.87,;-10.62,2.35,;-9.71,1.1,;-10.62,-.14,;-8.17,1.1,;-7.09,2.19,;-6,1.1,;-7.09,.01,;-4.46,1.1,;-3.69,-.23,;-3.69,2.44,;-2.15,2.44,;-1.24,3.68,;.22,3.21,;1.56,3.98,;2.89,3.21,;2.89,1.67,;1.56,.9,;.22,1.67,;-1.24,1.19,;4.22,.9,;4.22,-.64,;5.56,-1.41,;6.89,-.64,;8.23,-1.41,;9.56,-.64,;10.89,-1.41,;12.3,-.79,;13.33,-1.93,;12.56,-3.27,;11.05,-2.95,;9.91,-3.98,;6.89,.9,;5.56,1.67,)|
CN1CCN(CC(F)(F)C1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:32.35,wD:36.41,(-13.9,-.51,;-12.52,.16,;-11.31,-.8,;-9.81,-.46,;-9.14,.93,;-9.81,2.32,;-11.31,2.66,;-10.91,4.15,;-12.4,3.75,;-12.52,1.7,;-7.6,.93,;-6.51,2.02,;-5.42,.93,;-6.51,-.16,;-3.88,.93,;-3.11,-.4,;-3.11,2.26,;-1.57,2.26,;-.67,3.51,;.8,3.03,;2.13,3.8,;3.46,3.03,;3.46,1.49,;2.13,.72,;.8,1.49,;-.67,1.02,;4.8,.72,;4.8,-.82,;6.13,-1.59,;7.46,-.82,;8.8,-1.59,;10.13,-.82,;11.47,-1.59,;12.87,-.96,;13.9,-2.1,;13.13,-3.44,;11.63,-3.12,;10.48,-4.15,;7.46,.72,;6.13,1.49,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC34CC(C3)(C4)C#N)sc2c1 |r,wU:5.6,wD:1.0,(9.8,-3.57,;10.95,-2.54,;12.45,-2.86,;13.22,-1.53,;12.19,-.38,;10.78,-1.01,;9.45,-.24,;8.12,-1.01,;6.78,-.24,;5.45,-1.01,;4.12,-.24,;4.12,1.3,;5.45,2.07,;6.78,1.3,;2.78,2.07,;2.78,3.61,;1.45,4.38,;.11,3.61,;-1.35,4.09,;-2.25,2.84,;-3.79,2.84,;-4.56,1.51,;-3.79,.17,;-6.1,1.51,;-7.19,2.6,;-8.28,1.51,;-7.19,.42,;-9.82,1.51,;-10.59,.17,;-12.08,-.23,;-11.71,-1.89,;-10.19,-1.31,;-11.5,-.53,;-12.45,-3.24,;-13.18,-4.59,;-1.35,1.59,;.11,2.07,;1.45,1.3,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCC[C@@H]3C(F)(F)F)sc2c1 |r,wU:5.6,31.35,wD:1.0,(9.29,-3.98,;10.43,-2.95,;11.94,-3.27,;12.71,-1.93,;11.68,-.79,;10.27,-1.41,;8.94,-.64,;7.6,-1.41,;6.27,-.64,;4.94,-1.41,;3.6,-.64,;3.6,.9,;4.94,1.67,;6.27,.9,;2.27,1.67,;2.27,3.21,;.93,3.98,;-.4,3.21,;-1.86,3.68,;-2.77,2.44,;-4.31,2.44,;-5.08,1.1,;-4.31,-.23,;-6.62,1.1,;-7.71,2.19,;-8.8,1.1,;-7.71,.01,;-10.34,1.1,;-11.24,2.35,;-12.71,1.87,;-12.71,.33,;-11.21,-.25,;-10.74,-1.72,;-10.27,-3.19,;-12.21,-2.19,;-9.27,-1.25,;-1.86,1.19,;-.4,1.67,;.93,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCC[C@H]3C(F)(F)F)sc2c1 |r,wU:5.6,wD:1.0,31.35,(9.29,-3.98,;10.43,-2.95,;11.94,-3.27,;12.71,-1.93,;11.68,-.79,;10.27,-1.41,;8.94,-.64,;7.6,-1.41,;6.27,-.64,;4.94,-1.41,;3.6,-.64,;3.6,.9,;4.94,1.67,;6.27,.9,;2.27,1.67,;2.27,3.21,;.93,3.98,;-.4,3.21,;-1.86,3.68,;-2.77,2.44,;-4.31,2.44,;-5.08,1.1,;-4.31,-.23,;-6.62,1.1,;-7.71,2.19,;-8.8,1.1,;-7.71,.01,;-10.34,1.1,;-11.24,2.35,;-12.71,1.87,;-12.71,.33,;-11.21,-.25,;-10.74,-1.72,;-10.27,-3.19,;-12.21,-2.19,;-9.27,-1.25,;-1.86,1.19,;-.4,1.67,;.93,.9,)|
CC1CC(F)(F)CN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:30.33,wD:34.39,(-10.02,-1.61,;-10.5,-.14,;-11.96,.33,;-11.96,1.87,;-12.73,3.21,;-13.45,2.27,;-10.5,2.35,;-9.59,1.1,;-8.05,1.1,;-6.96,2.19,;-5.88,1.1,;-6.96,.01,;-4.34,1.1,;-3.57,-.23,;-3.57,2.44,;-2.03,2.44,;-1.12,3.68,;.34,3.21,;1.68,3.98,;3.01,3.21,;3.01,1.67,;1.68,.9,;.34,1.67,;-1.12,1.19,;4.35,.9,;4.35,-.64,;5.68,-1.41,;7.01,-.64,;8.35,-1.41,;9.68,-.64,;11.01,-1.41,;12.42,-.79,;13.45,-1.93,;12.68,-3.27,;11.17,-2.95,;10.03,-3.98,;7.01,.9,;5.68,1.67,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC3CC3)sc2c1 |r,wU:5.6,wD:1.0,(9.15,-3.98,;10.3,-2.95,;11.8,-3.27,;12.57,-1.93,;11.54,-.79,;10.14,-1.41,;8.8,-.64,;7.47,-1.41,;6.14,-.64,;4.8,-1.41,;3.47,-.64,;3.47,.9,;4.8,1.67,;6.14,.9,;2.13,1.67,;2.13,3.21,;.8,3.98,;-.53,3.21,;-2,3.68,;-2.9,2.44,;-4.44,2.44,;-5.21,1.1,;-4.44,-.23,;-6.75,1.1,;-7.84,2.19,;-8.93,1.1,;-7.84,.01,;-10.47,1.1,;-11.24,-.23,;-12.57,-1,;-11.24,-1.77,;-2,1.19,;-.53,1.67,;.8,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC3CCC3)sc2c1 |r,wU:5.6,wD:1.0,(9.23,-3.98,;10.37,-2.95,;11.88,-3.27,;12.65,-1.93,;11.62,-.79,;10.21,-1.41,;8.88,-.64,;7.55,-1.41,;6.21,-.64,;4.88,-1.41,;3.55,-.64,;3.55,.9,;4.88,1.67,;6.21,.9,;2.21,1.67,;2.21,3.21,;.88,3.98,;-.46,3.21,;-1.92,3.68,;-2.83,2.44,;-4.37,2.44,;-5.14,1.1,;-4.37,-.23,;-6.68,1.1,;-7.76,2.19,;-8.85,1.1,;-7.76,.01,;-10.39,1.1,;-11.16,-.23,;-12.65,-.63,;-12.25,-2.12,;-10.76,-1.72,;-1.92,1.19,;-.46,1.67,;.88,.9,)|
CC12CC(C1)(C2)NC1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:29.33,wD:33.39,(-12.84,-3.45,;-12.07,-2.12,;-12.47,-.63,;-10.98,-.23,;-10.58,-1.72,;-11.77,-.99,;-10.21,1.1,;-8.67,1.1,;-7.58,2.19,;-6.49,1.1,;-7.58,.01,;-4.95,1.1,;-4.18,-.23,;-4.18,2.44,;-2.64,2.44,;-1.73,3.68,;-.27,3.21,;1.06,3.98,;2.4,3.21,;2.4,1.67,;1.06,.9,;-.27,1.67,;-1.73,1.19,;3.73,.9,;3.73,-.64,;5.06,-1.41,;6.4,-.64,;7.73,-1.41,;9.07,-.64,;10.4,-1.41,;11.81,-.79,;12.84,-1.93,;12.07,-3.27,;10.56,-2.95,;9.42,-3.98,;6.4,.9,;5.06,1.67,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC3CCCC3)sc2c1 |r,wU:5.6,wD:1.0,(9.41,-3.98,;10.56,-2.95,;12.06,-3.27,;12.83,-1.93,;11.8,-.79,;10.4,-1.41,;9.06,-.64,;7.73,-1.41,;6.39,-.64,;5.06,-1.41,;3.73,-.64,;3.73,.9,;5.06,1.67,;6.39,.9,;2.39,1.67,;2.39,3.21,;1.06,3.98,;-.27,3.21,;-1.74,3.68,;-2.64,2.44,;-4.18,2.44,;-4.95,1.1,;-4.18,-.23,;-6.49,1.1,;-7.58,2.19,;-8.67,1.1,;-7.58,.01,;-10.21,1.1,;-10.98,-.23,;-12.51,-.39,;-12.83,-1.9,;-11.5,-2.67,;-10.35,-1.64,;-1.74,1.19,;-.27,1.67,;1.06,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CC[C@@H](C3)OC(F)F)sc2c1 |r,wU:5.6,30.35,wD:1.0,(11.24,-3.98,;12.38,-2.95,;13.89,-3.27,;14.66,-1.93,;13.63,-.79,;12.22,-1.41,;10.89,-.64,;9.55,-1.41,;8.22,-.64,;6.88,-1.41,;5.55,-.64,;5.55,.9,;6.88,1.67,;8.22,.9,;4.22,1.67,;4.22,3.21,;2.88,3.98,;1.55,3.21,;.09,3.68,;-.82,2.44,;-2.36,2.44,;-3.13,1.1,;-2.36,-.23,;-4.67,1.1,;-5.76,2.19,;-6.85,1.1,;-5.76,.01,;-8.39,1.1,;-9.29,2.35,;-10.76,1.87,;-10.76,.33,;-9.29,-.14,;-12,-.57,;-13.41,.05,;-14.66,-.85,;-13.57,1.59,;.09,1.19,;1.55,1.67,;2.88,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NCC(F)F)sc2c1 |r,wU:5.6,wD:1.0,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,-.23,;-12.29,-.23,;-13.06,-1.57,;-13.06,1.1,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
CN(CC(F)F)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:28.30,wD:32.36,(-10.75,2.44,;-9.98,1.1,;-10.75,-.23,;-12.29,-.23,;-13.06,-1.57,;-13.06,1.1,;-8.44,1.1,;-7.35,2.19,;-6.26,1.1,;-7.35,.01,;-4.72,1.1,;-3.95,-.23,;-3.95,2.44,;-2.41,2.44,;-1.51,3.68,;-.04,3.21,;1.29,3.98,;2.62,3.21,;2.62,1.67,;1.29,.9,;-.04,1.67,;-1.51,1.19,;3.96,.9,;3.96,-.64,;5.29,-1.41,;6.62,-.64,;7.96,-1.41,;9.29,-.64,;10.62,-1.41,;12.03,-.79,;13.06,-1.93,;12.29,-3.27,;10.79,-2.95,;9.64,-3.98,;6.62,.9,;5.29,1.67,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOC[C@@H]3C(F)(F)F)sc2c1 |r,wU:5.6,32.36,wD:1.0,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,2.44,;-12.29,2.44,;-13.06,1.1,;-12.29,-.23,;-10.73,-.34,;-9.98,-1.69,;-9.22,-3.03,;-8.63,-.93,;-11.32,-2.44,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOC[C@H]3C(F)(F)F)sc2c1 |r,wU:5.6,wD:1.0,32.36,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,2.44,;-12.29,2.44,;-13.06,1.1,;-12.29,-.23,;-10.73,-.34,;-9.98,-1.69,;-9.22,-3.03,;-8.63,-.93,;-11.32,-2.44,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC3(CC3)C(F)F)sc2c1 |r,wU:5.6,wD:1.0,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,-.23,;-10.75,-1.77,;-9.42,-1,;-12.29,-.23,;-13.06,-1.57,;-13.06,1.1,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC3(CC3)C(F)(F)F)sc2c1 |r,wU:5.6,wD:1.0,(10.03,-3.98,;11.17,-2.95,;12.68,-3.27,;13.45,-1.93,;12.42,-.79,;11.01,-1.41,;9.68,-.64,;8.34,-1.41,;7.01,-.64,;5.68,-1.41,;4.34,-.64,;4.34,.9,;5.68,1.67,;7.01,.9,;3.01,1.67,;3.01,3.21,;1.67,3.98,;.34,3.21,;-1.12,3.68,;-2.03,2.44,;-3.57,2.44,;-4.34,1.1,;-3.57,-.23,;-5.88,1.1,;-6.97,2.19,;-8.06,1.1,;-6.97,.01,;-9.6,1.1,;-10.37,-.23,;-10.37,-1.77,;-9.03,-1,;-11.91,-.23,;-12.68,-1.57,;-12.68,1.1,;-13.45,-.23,;-1.12,1.19,;.34,1.67,;1.67,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N[C@@H]3C[C@H]3C(F)(F)F)sc2c1 |r,wU:5.6,30.34,wD:1.0,28.30,(9.92,-3.98,;11.07,-2.95,;12.57,-3.27,;13.34,-1.93,;12.31,-.79,;10.91,-1.41,;9.57,-.64,;8.24,-1.41,;6.91,-.64,;5.57,-1.41,;4.24,-.64,;4.24,.9,;5.57,1.67,;6.91,.9,;2.9,1.67,;2.9,3.21,;1.57,3.98,;.24,3.21,;-1.23,3.68,;-2.13,2.44,;-3.67,2.44,;-4.44,1.1,;-3.67,-.23,;-5.98,1.1,;-7.07,2.19,;-8.16,1.1,;-7.07,.01,;-9.7,1.1,;-10.47,-.23,;-10.47,-1.77,;-11.8,-1,;-13.34,-1,;-14.11,.33,;-14.11,-2.34,;-14.88,-1,;-1.23,1.19,;.24,1.67,;1.57,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC3(CC3)C#N)sc2c1 |r,wU:1.0,wD:5.6,(9.93,6.15,;11.08,5.12,;12.58,5.44,;13.35,4.11,;12.32,2.97,;10.91,3.59,;9.58,2.82,;8.25,3.59,;6.91,2.82,;5.58,3.59,;4.25,2.82,;4.25,1.28,;5.58,.51,;6.91,1.28,;2.91,.51,;2.91,-1.03,;1.58,-1.8,;.25,-1.03,;-1.22,-1.5,;-2.12,-.26,;-3.66,-.26,;-4.43,-1.59,;-3.66,-2.93,;-5.97,-1.59,;-7.06,-2.68,;-8.15,-1.59,;-7.06,-.5,;-9.69,-1.59,;-10.46,-2.93,;-11.64,-3.92,;-11.91,-2.4,;-9.28,-3.92,;-8.1,-4.91,;-1.22,.99,;.25,.51,;1.58,1.28,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC34CC(C3)(C4)C(F)(F)F)sc2c1 |r,wU:5.6,wD:1.0,(9.42,-3.98,;10.56,-2.95,;12.07,-3.27,;12.84,-1.93,;11.81,-.79,;10.4,-1.41,;9.07,-.64,;7.73,-1.41,;6.4,-.64,;5.06,-1.41,;3.73,-.64,;3.73,.9,;5.06,1.67,;6.4,.9,;2.4,1.67,;2.4,3.21,;1.06,3.98,;-.27,3.21,;-1.73,3.68,;-2.64,2.44,;-4.18,2.44,;-4.95,1.1,;-4.18,-.23,;-6.49,1.1,;-7.58,2.19,;-8.67,1.1,;-7.58,.01,;-10.21,1.1,;-10.98,-.23,;-12.47,-.63,;-12.07,-2.12,;-10.58,-1.72,;-11.77,-.99,;-12.84,-3.45,;-14.38,-3.45,;-12.07,-4.78,;-13.61,-4.78,;-1.73,1.19,;-.27,1.67,;1.06,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOC(C3)C(F)(F)F)sc2c1 |r,wU:5.6,wD:1.0,(9.64,-3.98,;10.79,-2.95,;12.29,-3.27,;13.06,-1.93,;12.03,-.79,;10.62,-1.41,;9.29,-.64,;7.96,-1.41,;6.62,-.64,;5.29,-1.41,;3.96,-.64,;3.96,.9,;5.29,1.67,;6.62,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,2.44,;-12.29,2.44,;-13.06,1.1,;-12.29,-.23,;-10.75,-.23,;-13.06,-1.57,;-14.6,-1.57,;-12.29,-2.9,;-13.83,-2.9,;-1.51,1.19,;-.04,1.67,;1.29,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CC[C@H](C3)OC(F)F)sc2c1 |r,wU:5.6,wD:1.0,30.35,(11.24,-3.98,;12.38,-2.95,;13.89,-3.27,;14.66,-1.93,;13.63,-.79,;12.22,-1.41,;10.89,-.64,;9.55,-1.41,;8.22,-.64,;6.88,-1.41,;5.55,-.64,;5.55,.9,;6.88,1.67,;8.22,.9,;4.22,1.67,;4.22,3.21,;2.88,3.98,;1.55,3.21,;.09,3.68,;-.82,2.44,;-2.36,2.44,;-3.13,1.1,;-2.36,-.23,;-4.67,1.1,;-5.76,2.19,;-6.85,1.1,;-5.76,.01,;-8.39,1.1,;-9.29,2.35,;-10.76,1.87,;-10.76,.33,;-9.29,-.14,;-12,-.57,;-13.41,.05,;-14.66,-.85,;-13.57,1.59,;.09,1.19,;1.55,1.67,;2.88,.9,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOC4(CCC4)C3)sc2c1 |r,wU:5.6,wD:1.0,(10,-3.98,;11.14,-2.95,;12.65,-3.27,;13.42,-1.93,;12.39,-.79,;10.98,-1.41,;9.65,-.64,;8.32,-1.41,;6.98,-.64,;5.65,-1.41,;4.32,-.64,;4.32,.9,;5.65,1.67,;6.98,.9,;2.98,1.67,;2.98,3.21,;1.65,3.98,;.31,3.21,;-1.15,3.68,;-2.06,2.44,;-3.6,2.44,;-4.37,1.1,;-3.6,-.23,;-5.91,1.1,;-6.99,2.19,;-8.08,1.1,;-6.99,.01,;-9.62,1.1,;-10.39,2.44,;-11.93,2.44,;-12.7,1.1,;-11.93,-.23,;-13.42,-.63,;-13.02,-2.12,;-11.53,-1.72,;-10.39,-.23,;-1.15,1.19,;.31,1.67,;1.65,.9,)|
Cn1cc(NC2CC(C2)C(=O)Nc2nc3ccc(cc3s2)-c2cnc(CO[C@H]3CCC[C@@H]3O)nc2)cn1 |r,wU:27.29,wD:31.35,(-11.34,-4.09,;-11.5,-2.56,;-10.35,-1.53,;-10.98,-.12,;-10.21,1.21,;-8.67,1.21,;-7.58,2.3,;-6.49,1.21,;-7.58,.13,;-4.95,1.21,;-4.18,-.12,;-4.18,2.55,;-2.64,2.55,;-1.74,3.79,;-.27,3.32,;1.06,4.09,;2.39,3.32,;2.39,1.78,;1.06,1.01,;-.27,1.78,;-1.74,1.3,;3.73,1.01,;3.73,-.53,;5.06,-1.3,;6.39,-.53,;7.73,-1.3,;9.06,-.53,;10.4,-1.3,;11.8,-.68,;12.83,-1.82,;12.06,-3.15,;10.56,-2.83,;9.41,-3.86,;6.39,1.01,;5.06,1.78,;-12.51,-.28,;-12.83,-1.79,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCc4ccccc34)sc2c1 |r,wU:5.6,wD:1.0,(9.86,-4.43,;11,-3.4,;12.51,-3.72,;13.28,-2.39,;12.25,-1.24,;10.84,-1.87,;9.51,-1.1,;8.17,-1.87,;6.84,-1.1,;5.51,-1.87,;4.17,-1.1,;4.17,.44,;5.51,1.21,;6.84,.44,;2.84,1.21,;2.84,2.75,;1.51,3.52,;.17,2.75,;-1.29,3.23,;-2.2,1.98,;-3.74,1.98,;-4.51,.65,;-3.74,-.69,;-6.05,.65,;-7.14,1.74,;-8.23,.65,;-7.14,-.44,;-9.77,.65,;-10.67,-.6,;-12.13,-.12,;-12.13,1.42,;-13.28,2.45,;-12.96,3.95,;-11.49,4.43,;-10.35,3.4,;-10.67,1.89,;-1.29,.74,;.17,1.21,;1.51,.44,)|
CC(C)C[C@H]1COCCN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:32.35,4.3,wD:36.41,(-12.26,-2.77,;-10.72,-2.77,;-9.95,-4.1,;-9.95,-1.44,;-10.72,-.1,;-12.26,-.1,;-13.03,1.23,;-12.26,2.56,;-10.72,2.56,;-9.95,1.23,;-8.41,1.23,;-7.32,2.32,;-6.23,1.23,;-7.32,.14,;-4.69,1.23,;-3.92,-.1,;-3.92,2.56,;-2.38,2.56,;-1.48,3.81,;-.01,3.33,;1.32,4.1,;2.66,3.33,;2.66,1.79,;1.32,1.02,;-.01,1.79,;-1.48,1.32,;3.99,1.02,;3.99,-.52,;5.32,-1.29,;6.66,-.52,;7.99,-1.29,;9.32,-.52,;10.66,-1.29,;12.12,-.81,;13.03,-2.06,;12.12,-3.3,;10.66,-2.83,;9.32,-3.6,;6.66,1.02,;5.32,1.79,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOCC3C3CC3)sc2c1 |r,wU:5.6,wD:1.0,(9.32,-3.85,;10.66,-3.08,;12.12,-3.56,;13.03,-2.31,;12.12,-1.06,;10.66,-1.54,;9.32,-.77,;7.99,-1.54,;6.66,-.77,;5.32,-1.54,;3.99,-.77,;3.99,.77,;5.32,1.54,;6.66,.77,;2.66,1.54,;2.66,3.08,;1.32,3.85,;-.01,3.08,;-1.48,3.56,;-2.38,2.31,;-3.92,2.31,;-4.69,.98,;-3.92,-.36,;-6.23,.98,;-7.32,2.07,;-8.41,.98,;-7.32,-.11,;-9.95,.98,;-10.72,2.31,;-12.26,2.31,;-13.03,.98,;-12.26,-.36,;-10.72,-.36,;-9.95,-1.69,;-9.95,-3.23,;-8.61,-2.46,;-1.48,1.06,;-.01,1.54,;1.32,.77,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCO[C@@H]4CCC[C@H]34)sc2c1 |r,wU:5.6,wD:1.0,35.37,31.34,(9.32,-4.26,;10.66,-3.49,;12.12,-3.97,;13.03,-2.72,;12.12,-1.48,;10.66,-1.95,;9.32,-1.18,;7.99,-1.95,;6.66,-1.18,;5.32,-1.95,;3.99,-1.18,;3.99,.36,;5.32,1.13,;6.66,.36,;2.66,1.13,;2.66,2.67,;1.32,3.44,;-.01,2.67,;-1.48,3.14,;-2.38,1.9,;-3.92,1.9,;-4.69,.56,;-3.92,-.77,;-6.23,.56,;-7.32,1.65,;-8.41,.56,;-7.32,-.53,;-9.95,.56,;-10.72,-.77,;-12.26,-.77,;-13.03,.56,;-12.26,1.9,;-12.73,3.36,;-11.49,4.26,;-10.24,3.36,;-10.72,1.9,;-1.48,.65,;-.01,1.13,;1.32,.36,)|
CC1(C)CN(C2CC(C2)C(=O)Nc2nc3ccc(cc3s2)-c2cnc(CO[C@H]3CCC[C@@H]3O)nc2)[C@@H]2CCC[C@H]2O1 |r,wU:27.29,39.43,wD:31.35,35.40,(-11.98,3.85,;-11.98,2.31,;-13.31,3.08,;-10.44,2.31,;-9.67,.98,;-8.13,.98,;-7.04,2.07,;-5.95,.98,;-7.04,-.11,;-4.41,.98,;-3.64,-.36,;-3.64,2.31,;-2.1,2.31,;-1.19,3.56,;.27,3.08,;1.6,3.85,;2.94,3.08,;2.94,1.54,;1.6,.77,;.27,1.54,;-1.19,1.06,;4.27,.77,;4.27,-.77,;5.61,-1.54,;6.94,-.77,;8.27,-1.54,;9.61,-.77,;10.94,-1.54,;12.41,-1.06,;13.31,-2.31,;12.41,-3.56,;10.94,-3.08,;9.61,-3.85,;6.94,.77,;5.61,1.54,;-10.44,-.36,;-9.96,-1.82,;-11.21,-2.73,;-12.45,-1.82,;-11.98,-.36,;-12.75,.98,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOCC3CC3CC3)sc2c1 |r,wU:5.6,wD:1.0,(9.32,-3.49,;10.66,-2.72,;12.12,-3.2,;13.03,-1.95,;12.12,-.71,;10.66,-1.18,;9.32,-.41,;7.99,-1.18,;6.66,-.41,;5.32,-1.18,;3.99,-.41,;3.99,1.13,;5.32,1.9,;6.66,1.13,;2.66,1.9,;2.66,3.44,;1.32,4.21,;-.01,3.44,;-1.48,3.91,;-2.38,2.67,;-3.92,2.67,;-4.69,1.33,;-3.92,,;-6.23,1.33,;-7.32,2.42,;-8.41,1.33,;-7.32,.24,;-9.95,1.33,;-10.72,2.67,;-12.26,2.67,;-13.03,1.33,;-12.26,,;-10.72,,;-9.95,-1.33,;-10.72,-2.67,;-12.05,-3.44,;-10.72,-4.21,;-1.48,1.42,;-.01,1.9,;1.32,1.13,)|
CN(CCO)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:27.29,wD:31.35,(-10.72,2.31,;-9.95,.98,;-10.72,-.36,;-12.26,-.36,;-13.03,-1.69,;-8.41,.98,;-7.32,2.07,;-6.23,.98,;-7.32,-.11,;-4.69,.98,;-3.92,-.36,;-3.92,2.31,;-2.38,2.31,;-1.48,3.56,;-.01,3.08,;1.32,3.85,;2.66,3.08,;2.66,1.54,;1.32,.77,;-.01,1.54,;-1.48,1.06,;3.99,.77,;3.99,-.77,;5.32,-1.54,;6.66,-.77,;7.99,-1.54,;9.32,-.77,;10.66,-1.54,;12.12,-1.06,;13.03,-2.31,;12.12,-3.56,;10.66,-3.08,;9.32,-3.85,;6.66,.77,;5.32,1.54,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCC4(COC4)CC3)sc2c1 |r,wU:5.6,wD:1.0,(10.41,-3.85,;11.75,-3.08,;13.21,-3.56,;14.12,-2.31,;13.21,-1.06,;11.75,-1.54,;10.41,-.77,;9.08,-1.54,;7.75,-.77,;6.41,-1.54,;5.08,-.77,;5.08,.77,;6.41,1.54,;7.75,.77,;3.75,1.54,;3.75,3.08,;2.41,3.85,;1.08,3.08,;-.39,3.56,;-1.29,2.31,;-2.83,2.31,;-3.6,.98,;-2.83,-.36,;-5.14,.98,;-6.23,2.07,;-7.32,.98,;-6.23,-.11,;-8.86,.98,;-9.63,-.36,;-11.17,-.36,;-11.94,.98,;-13.03,2.07,;-14.12,.98,;-13.03,-.11,;-11.17,2.31,;-9.63,2.31,;-.39,1.06,;1.08,1.54,;2.41,.77,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC3C4CC3C4)sc2c1 |r,wU:5.6,wD:1.0,(8.91,-3.85,;10.25,-3.08,;11.71,-3.56,;12.62,-2.31,;11.71,-1.06,;10.25,-1.54,;8.91,-.77,;7.58,-1.54,;6.25,-.77,;4.91,-1.54,;3.58,-.77,;3.58,.77,;4.91,1.54,;6.25,.77,;2.25,1.54,;2.25,3.08,;.91,3.85,;-.42,3.08,;-1.89,3.56,;-2.79,2.31,;-4.33,2.31,;-5.1,.98,;-4.33,-.36,;-6.64,.98,;-7.73,2.07,;-8.82,.98,;-7.73,-.11,;-10.36,.98,;-11.13,-.36,;-12.62,-.76,;-12.22,-2.24,;-10.73,-1.84,;-11.58,-1.04,;-1.89,1.06,;-.42,1.54,;.91,.77,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCCCO3)sc2c1 |r,wU:5.6,wD:1.0,(9.32,-3.85,;10.66,-3.08,;12.12,-3.56,;13.03,-2.31,;12.12,-1.06,;10.66,-1.54,;9.32,-.77,;7.99,-1.54,;6.66,-.77,;5.32,-1.54,;3.99,-.77,;3.99,.77,;5.32,1.54,;6.66,.77,;2.66,1.54,;2.66,3.08,;1.32,3.85,;-.01,3.08,;-1.48,3.56,;-2.38,2.31,;-3.92,2.31,;-4.69,.98,;-3.92,-.36,;-6.23,.98,;-7.32,2.07,;-8.41,.98,;-7.32,-.11,;-9.95,.98,;-10.72,2.31,;-12.26,2.31,;-13.03,.98,;-12.26,-.36,;-10.72,-.36,;-1.48,1.06,;-.01,1.54,;1.32,.77,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC3(COC3)C(F)(F)F)sc2c1 |r,wU:1.0,wD:5.6,(8.44,8.04,;9.58,7.01,;11.09,7.33,;11.86,5.99,;10.83,4.85,;9.42,5.47,;8.09,4.7,;8.09,3.16,;6.75,2.39,;6.75,.85,;5.42,.08,;4.09,.85,;4.09,2.39,;5.42,3.16,;2.75,.08,;2.75,-1.46,;1.42,-2.23,;.09,-1.46,;-1.38,-1.93,;-2.28,-.69,;-3.82,-.69,;-4.59,-2.02,;-3.82,-3.35,;-6.13,-2.02,;-7.22,-3.11,;-8.31,-2.02,;-7.22,-.93,;-9.85,-2.02,;-10.62,-3.35,;-11.39,-4.69,;-12.73,-3.92,;-11.96,-2.58,;-9.29,-4.12,;-7.95,-4.89,;-10.06,-5.46,;-8.52,-2.79,;-1.38,.56,;.09,.08,;1.42,.85,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC3(CCC3)C(F)(F)F)sc2c1 |r,wU:1.0,wD:5.6,(8.44,8.04,;9.58,7.01,;11.09,7.33,;11.86,5.99,;10.83,4.85,;9.42,5.47,;8.09,4.7,;8.09,3.16,;6.75,2.39,;6.75,.85,;5.42,.08,;4.09,.85,;4.09,2.39,;5.42,3.16,;2.75,.08,;2.75,-1.46,;1.42,-2.23,;.09,-1.46,;-1.38,-1.93,;-2.28,-.69,;-3.82,-.69,;-4.59,-2.02,;-3.82,-3.35,;-6.13,-2.02,;-7.22,-3.11,;-8.31,-2.02,;-7.22,-.93,;-9.85,-2.02,;-10.62,-3.35,;-11.39,-4.69,;-12.73,-3.92,;-11.96,-2.58,;-9.29,-4.12,;-7.95,-4.89,;-10.06,-5.46,;-8.52,-2.79,;-1.38,.56,;.09,.08,;1.42,.85,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NC3(CCCC3)C(F)(F)F)sc2c1 |r,wU:1.0,wD:5.6,(8.65,8.02,;9.8,6.99,;11.3,7.31,;12.07,5.98,;11.04,4.83,;9.63,5.46,;8.3,4.69,;8.3,3.15,;6.97,2.38,;6.97,.84,;5.63,.07,;4.3,.84,;4.3,2.38,;5.63,3.15,;2.97,.07,;2.97,-1.47,;1.63,-2.24,;.3,-1.47,;-1.17,-1.95,;-2.07,-.7,;-3.61,-.7,;-4.38,-2.03,;-3.61,-3.37,;-5.92,-2.03,;-7.01,-3.12,;-8.1,-2.03,;-7.01,-.94,;-9.64,-2.03,;-10.41,-3.37,;-11.44,-4.51,;-10.67,-5.85,;-9.16,-5.53,;-9,-3.99,;-11.65,-2.46,;-12.9,-1.56,;-10.75,-1.22,;-12.56,-3.71,;-1.17,.55,;.3,.07,;1.63,.84,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCOC4(CCCC4)C3)sc2c1 |r,wU:5.6,wD:1.0,(9.95,-4.26,;11.28,-3.49,;12.75,-3.97,;13.65,-2.72,;12.75,-1.48,;11.28,-1.95,;9.95,-1.18,;8.61,-1.95,;7.28,-1.18,;5.95,-1.95,;4.61,-1.18,;4.61,.36,;5.95,1.13,;7.28,.36,;3.28,1.13,;3.28,2.67,;1.95,3.44,;.61,2.67,;-.85,3.14,;-1.76,1.9,;-3.3,1.9,;-4.07,.56,;-3.3,-.77,;-5.61,.56,;-6.7,1.65,;-7.79,.56,;-6.7,-.53,;-9.33,.56,;-10.1,-.77,;-11.64,-.77,;-12.41,.56,;-11.64,1.9,;-11.16,3.36,;-12.41,4.26,;-13.65,3.36,;-13.18,1.9,;-10.1,1.9,;-.85,.65,;.61,1.13,;1.95,.36,)|
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O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N3CCCCC3)sc2c1 |r,wU:5.6,wD:1.0,(9.32,-3.85,;10.66,-3.08,;12.12,-3.56,;13.03,-2.31,;12.12,-1.06,;10.66,-1.54,;9.32,-.77,;7.99,-1.54,;6.66,-.77,;5.32,-1.54,;3.99,-.77,;3.99,.77,;5.32,1.54,;6.66,.77,;2.66,1.54,;2.66,3.08,;1.32,3.85,;-.01,3.08,;-1.48,3.56,;-2.38,2.31,;-3.92,2.31,;-4.69,.98,;-3.92,-.36,;-6.23,.98,;-7.32,2.07,;-8.41,.98,;-7.32,-.11,;-9.95,.98,;-10.72,2.31,;-12.26,2.31,;-13.03,.98,;-12.26,-.36,;-10.72,-.36,;-1.48,1.06,;-.01,1.54,;1.32,.77,)|
C[C@@H]1CCCCN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:29.32,wD:33.38,1.0,(-9.95,-1.69,;-10.72,-.36,;-12.26,-.36,;-13.03,.98,;-12.26,2.31,;-10.72,2.31,;-9.95,.98,;-8.41,.98,;-7.32,2.07,;-6.23,.98,;-7.32,-.11,;-4.69,.98,;-3.92,-.36,;-3.92,2.31,;-2.38,2.31,;-1.48,3.56,;-.01,3.08,;1.32,3.85,;2.66,3.08,;2.66,1.54,;1.32,.77,;-.01,1.54,;-1.48,1.06,;3.99,.77,;3.99,-.77,;5.32,-1.54,;6.66,-.77,;7.99,-1.54,;9.32,-.77,;10.66,-1.54,;12.12,-1.06,;13.03,-2.31,;12.12,-3.56,;10.66,-3.08,;9.32,-3.85,;6.66,.77,;5.32,1.54,)|
CC(C)[C@@H]1[C@H](O)CCCN1C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:32.35,wD:36.41,3.2,4.4,(-10.72,-3.02,;-9.95,-1.69,;-8.41,-1.69,;-10.72,-.36,;-12.26,-.36,;-13.03,-1.69,;-13.03,.98,;-12.26,2.31,;-10.72,2.31,;-9.95,.98,;-8.41,.98,;-7.32,2.07,;-6.23,.98,;-7.32,-.11,;-4.69,.98,;-3.92,-.36,;-3.92,2.31,;-2.38,2.31,;-1.48,3.56,;-.01,3.08,;1.32,3.85,;2.66,3.08,;2.66,1.54,;1.32,.77,;-.01,1.54,;-1.48,1.06,;3.99,.77,;3.99,-.77,;5.32,-1.54,;6.66,-.77,;7.99,-1.54,;9.32,-.77,;10.66,-1.54,;12.12,-1.06,;13.03,-2.31,;12.12,-3.56,;10.66,-3.08,;9.32,-3.85,;6.66,.77,;5.32,1.54,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NCc3nccs3)sc2c1 |r,wU:5.6,wD:1.0,(10.12,-3.85,;11.46,-3.08,;12.92,-3.56,;13.83,-2.31,;12.92,-1.06,;11.46,-1.54,;10.12,-.77,;8.79,-1.54,;7.46,-.77,;6.12,-1.54,;4.79,-.77,;4.79,.77,;6.12,1.54,;7.46,.77,;3.46,1.54,;3.46,3.08,;2.12,3.85,;.79,3.08,;-.68,3.56,;-1.58,2.31,;-3.12,2.31,;-3.89,.98,;-3.12,-.36,;-5.43,.98,;-6.52,2.07,;-7.61,.98,;-6.52,-.11,;-9.15,.98,;-9.92,-.36,;-11.46,-.36,;-12.36,-1.6,;-13.83,-1.13,;-13.83,.41,;-12.36,.89,;-.68,1.06,;.79,1.54,;2.12,.77,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)NCc3ccsn3)sc2c1 |r,wU:5.6,wD:1.0,(10.12,-3.85,;11.46,-3.08,;12.92,-3.56,;13.83,-2.31,;12.92,-1.06,;11.46,-1.54,;10.12,-.77,;8.79,-1.54,;7.46,-.77,;6.12,-1.54,;4.79,-.77,;4.79,.77,;6.12,1.54,;7.46,.77,;3.46,1.54,;3.46,3.08,;2.12,3.85,;.79,3.08,;-.68,3.56,;-1.58,2.31,;-3.12,2.31,;-3.89,.98,;-3.12,-.36,;-5.43,.98,;-6.52,2.07,;-7.61,.98,;-6.52,-.11,;-9.15,.98,;-9.92,-.36,;-11.46,-.36,;-12.36,.89,;-13.83,.41,;-13.83,-1.13,;-12.36,-1.6,;-.68,1.06,;.79,1.54,;2.12,.77,)|
CN(C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1)C12CC(C1)C2 |r,wU:24.26,wD:28.32,(-11.16,2.44,;-10.39,1.1,;-8.85,1.1,;-7.76,2.19,;-6.68,1.1,;-7.76,.01,;-5.14,1.1,;-4.37,-.23,;-4.37,2.44,;-2.83,2.44,;-1.92,3.68,;-.46,3.21,;.88,3.98,;2.21,3.21,;2.21,1.67,;.88,.9,;-.46,1.67,;-1.92,1.19,;3.55,.9,;3.55,-.64,;4.88,-1.41,;6.21,-.64,;7.55,-1.41,;8.88,-.64,;10.21,-1.41,;11.62,-.79,;12.65,-1.93,;11.88,-3.27,;10.37,-2.95,;9.23,-3.98,;6.21,.9,;4.88,1.67,;-11.16,-.23,;-12.24,-.87,;-12.25,-2.12,;-12.65,-.63,;-10.77,-1.72,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(C3)N(CCC(F)(F)F)C34CC(C3)C4)sc2c1 |r,wU:5.6,wD:1.0,(9.32,-3.85,;10.66,-3.08,;12.12,-3.56,;13.03,-2.31,;12.12,-1.06,;10.66,-1.54,;9.32,-.77,;7.99,-1.54,;6.66,-.77,;5.32,-1.54,;3.99,-.77,;3.99,.77,;5.32,1.54,;6.66,.77,;2.66,1.54,;2.66,3.08,;1.32,3.85,;-.01,3.08,;-1.48,3.56,;-2.38,2.31,;-3.92,2.31,;-4.69,.98,;-3.92,-.36,;-6.23,.98,;-7.32,2.07,;-8.41,.98,;-7.32,-.11,;-9.95,.98,;-10.72,2.31,;-12.26,2.31,;-13.03,3.64,;-12.26,4.98,;-14.57,3.64,;-13.8,4.98,;-10.72,-.36,;-12.21,-.76,;-11.81,-2.24,;-10.32,-1.84,;-11.43,-1.07,;-1.48,1.06,;-.01,1.54,;1.32,.77,)|
CN(C1CC1)C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:27.30,wD:31.36,(-11.21,2.31,;-10.44,.98,;-11.21,-.36,;-12.54,-1.13,;-11.21,-1.9,;-8.9,.98,;-7.81,2.07,;-6.72,.98,;-7.81,-.11,;-5.18,.98,;-4.41,-.36,;-4.41,2.31,;-2.87,2.31,;-1.96,3.56,;-.5,3.08,;.83,3.85,;2.17,3.08,;2.17,1.54,;.83,.77,;-.5,1.54,;-1.96,1.06,;3.5,.77,;3.5,-.77,;4.84,-1.54,;6.17,-.77,;7.5,-1.54,;8.84,-.77,;10.17,-1.54,;11.64,-1.06,;12.54,-2.31,;11.64,-3.56,;10.17,-3.08,;8.84,-3.85,;6.17,.77,;4.84,1.54,)|
CN(C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1)C12CC(C)(C1)C2 |r,wU:24.26,wD:28.32,(-10.94,2.31,;-10.17,.98,;-8.63,.98,;-7.55,2.07,;-6.46,.98,;-7.55,-.11,;-4.92,.98,;-4.15,-.36,;-4.15,2.31,;-2.61,2.31,;-1.7,3.56,;-.24,3.08,;1.1,3.85,;2.43,3.08,;2.43,1.54,;1.1,.77,;-.24,1.54,;-1.7,1.06,;3.76,.77,;3.76,-.77,;5.1,-1.54,;6.43,-.77,;7.77,-1.54,;9.1,-.77,;10.43,-1.54,;11.9,-1.06,;12.8,-2.31,;11.9,-3.56,;10.43,-3.08,;9.1,-3.85,;6.43,.77,;5.1,1.54,;-10.94,-.36,;-12.43,-.76,;-12.03,-2.24,;-12.8,-3.58,;-10.55,-1.84,;-11.66,-1.07,)|
CN(C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1)C1(CC1)C(F)F |r,wU:24.26,wD:28.32,(-10.72,2.31,;-9.95,.98,;-8.41,.98,;-7.32,2.07,;-6.23,.98,;-7.32,-.11,;-4.69,.98,;-3.92,-.36,;-3.92,2.31,;-2.38,2.31,;-1.48,3.56,;-.01,3.08,;1.32,3.85,;2.66,3.08,;2.66,1.54,;1.32,.77,;-.01,1.54,;-1.48,1.06,;3.99,.77,;3.99,-.77,;5.32,-1.54,;6.66,-.77,;7.99,-1.54,;9.32,-.77,;10.66,-1.54,;12.12,-1.06,;13.03,-2.31,;12.12,-3.56,;10.66,-3.08,;9.32,-3.85,;6.66,.77,;5.32,1.54,;-10.72,-.36,;-10.72,-1.9,;-9.38,-1.13,;-12.26,-.36,;-13.03,-1.69,;-13.03,.98,)|
CN(C1CC(C1)C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1)C12CC(C1)(C2)C#N |r,wU:24.26,wD:28.32,(-10.56,2.84,;-9.79,1.51,;-8.25,1.51,;-7.16,2.6,;-6.07,1.51,;-7.16,.42,;-4.53,1.51,;-3.76,.17,;-3.76,2.84,;-2.22,2.84,;-1.32,4.09,;.15,3.61,;1.48,4.38,;2.82,3.61,;2.82,2.07,;1.48,1.3,;.15,2.07,;-1.32,1.59,;4.15,1.3,;4.15,-.24,;5.48,-1.01,;6.82,-.24,;8.15,-1.01,;9.48,-.24,;10.82,-1.01,;12.28,-.53,;13.19,-1.78,;12.28,-3.03,;10.82,-2.55,;9.48,-3.32,;6.82,1.3,;5.48,2.07,;-10.56,.17,;-12.05,-.23,;-11.7,-1.92,;-10.16,-1.31,;-11.27,-.54,;-12.44,-3.27,;-13.17,-4.63,)|
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COc1c(ccc2nc(NC(=O)C3CC3)sc12)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
COc1c(ccc2nc(NC(=O)[C@@H]3C[C@H]3C)sc12)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
COc1c(ccc2nc(NC(=O)[C@H]3C[C@H]3F)sc12)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
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COc1c(ccc2nc(NC(=O)C3CC33CC3)sc12)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
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COc1c(ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc12)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
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COc1c(ccc2nc(NC(=O)[C@@H]3C[C@@H](C3)N3CCOC[C@@H]3C)sc12)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r,wU:12.11,31.34,14.16,21.23,wD:35.40,(-.04,-1.41,;1.29,-.64,;1.29,.9,;2.62,1.67,;2.62,3.21,;1.29,3.98,;-.04,3.21,;-1.51,3.68,;-2.41,2.44,;-3.95,2.44,;-4.72,1.1,;-3.95,-.23,;-6.26,1.1,;-7.35,2.19,;-8.44,1.1,;-7.35,.01,;-9.98,1.1,;-10.75,2.44,;-12.29,2.44,;-13.06,1.1,;-12.29,-.23,;-10.75,-.23,;-9.98,-1.57,;-1.51,1.19,;-.04,1.67,;3.96,.9,;3.96,-.64,;5.29,-1.41,;6.62,-.64,;7.96,-1.41,;9.29,-.64,;10.63,-1.41,;12.03,-.79,;13.06,-1.93,;12.29,-3.27,;10.79,-2.95,;9.64,-3.98,;6.62,.9,;5.29,1.67,)|
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COc1c(ccc2nc(NC(=O)C3CC3)sc12)-c1cnc(CO[C@H]2CC(F)(F)C[C@@H]2O)nc1 |r|
CCOc1c(ccc2nc(NC(=O)C3CC3)sc12)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
COCCOc1c(ccc2nc(NC(=O)C3CC3)sc12)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
CN1CC(F)(COc2c(ccc3nc(NC(=O)C4CC4)sc23)-c2cnc(CO[C@H]3CCC[C@@H]3O)nc2)C1 |r|
OCCOc1c(ccc2nc(NC(=O)C3CC3)sc12)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC3)sc2c1OCc1nccs1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC3)sc2c1OC[C@H]1CCOC1 |r|
Cc1c(ccc2nc(NC(=O)C3CC3)sc12)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
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O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC4(C3)CC(F)(F)C4)sc2c1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC4(COC4)C3)sc2c1 |r|
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CC(=O)N1CCC2(CC(C2)C(=O)Nc2nc3ccc(cc3s2)-c2cnc(CO[C@H]3CCC[C@@H]3O)nc2)CC1 |r|
CC(C)C(=O)N1CCC2(CC(C2)C(=O)Nc2nc3ccc(cc3s2)-c2cnc(CO[C@H]3CCC[C@@H]3O)nc2)CC1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC4(C3)CCN(CC4)C(=O)c3ccccn3)sc2c1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC4(C3)CCN(CC4)C(=O)c3cccnc3)sc2c1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC4(C3)CCN(CC(F)(F)F)CC4)sc2c1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC4(C3)CCN(CC4)C(=O)C3COC3)sc2c1 |r|
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O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccc2nc(NC(=O)C3CC(CN4CC(F)C4)C3)sc2c1 |r,wU:5.6,wD:1.0,(9.42,-4.82,;10.56,-3.79,;12.07,-4.11,;12.84,-2.77,;11.81,-1.63,;10.4,-2.25,;9.07,-1.48,;7.73,-2.25,;6.4,-1.48,;5.06,-2.25,;3.73,-1.48,;3.73,.06,;5.06,.83,;6.4,.06,;2.4,.83,;2.4,2.37,;1.06,3.14,;-.27,2.37,;-1.73,2.84,;-2.64,1.6,;-4.18,1.6,;-4.95,.26,;-4.18,-1.07,;-6.49,.26,;-7.58,1.35,;-8.67,.26,;-10.21,.26,;-10.98,1.6,;-10.58,3.08,;-12.07,3.48,;-12.84,4.82,;-12.46,1.99,;-7.58,-.83,;-1.73,.35,;-.27,.83,;1.06,.06,)|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
O[C@H]1CCC[C@@H]1OCc1ncc(cn1)-c1ccn2nc(NC(=O)[C@@H]3C[C@H]3F)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
C[C@H]1CN(CCN1[C@H]1C[C@H](C1)C(=O)Nc1cc2cc(ccn2n1)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1)C(=O)c1ccnc(C)c1 |r,wU:29.32,7.7,9.12,1.0,wD:33.38,(-6.76,-2.5,;-7.6,-1.21,;-9.14,-1.29,;-9.98,0,;-9.28,1.38,;-7.74,1.46,;-6.9,.17,;-5.36,.25,;-4.33,1.39,;-3.19,.36,;-4.22,-.78,;-1.65,.44,;-.81,-.85,;-.95,1.81,;.59,1.89,;1.55,.7,;2.99,1.25,;4.36,.55,;5.66,1.39,;5.58,2.93,;4.2,3.63,;2.91,2.79,;1.42,3.18,;7.03,.69,;7.11,-.85,;8.48,-1.55,;9.77,-.71,;11.14,-1.41,;12.44,-.57,;13.81,-1.27,;15.18,-.57,;16.27,-1.66,;15.57,-3.03,;14.05,-2.79,;12.96,-3.88,;9.69,.83,;8.32,1.53,;-11.52,-.08,;-12.22,-1.45,;-12.35,1.22,;-11.66,2.59,;-12.49,3.88,;-14.03,3.8,;-14.73,2.43,;-16.27,2.35,;-13.89,1.13,)|
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COc1c(ccn2nc(NC(=O)C3CC3)cc12)-c1cnc(CO[C@H]2CCC[C@@H]2O)nc1 |r|
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CN(CCCCOCCCCc1cccc2n(C3CCC(=O)NC3=O)c(=O)n(C)c12)C[C@H]1CC[C@@H](CC1)n1cc(NC(=O)c2coc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(F)F |r,wU:31.33,wD:34.40,(.69,-.07,;.69,-1.61,;2.02,-2.38,;3.36,-1.61,;4.69,-2.38,;6.02,-1.61,;7.36,-2.38,;8.69,-1.61,;10.02,-2.38,;11.36,-1.61,;12.69,-2.38,;14.03,-1.61,;14.03,-.07,;15.36,.7,;16.69,-.07,;16.69,-1.61,;17.84,-2.64,;19.32,-2.24,;20.41,-3.33,;21.9,-2.93,;22.3,-1.45,;23.79,-1.05,;21.21,-.36,;19.72,-.76,;18.63,.33,;17.21,-4.05,;17.98,-5.38,;15.68,-3.89,;14.59,-4.98,;15.36,-2.38,;-.65,-2.38,;-1.98,-1.61,;-3.31,-2.38,;-4.65,-1.61,;-4.65,-.07,;-3.31,.7,;-1.98,-.07,;-5.98,.7,;-7.44,.22,;-8.35,1.47,;-9.89,1.47,;-10.66,.14,;-9.89,-1.2,;-12.2,.14,;-13.11,1.38,;-14.57,.91,;-14.57,-.63,;-13.11,-1.11,;-15.66,-1.72,;-15.26,-3.21,;-16.35,-4.3,;-17.84,-3.9,;-18.24,-2.41,;-19.72,-2.02,;-20.81,-3.1,;-22.3,-2.71,;-23.39,-1.62,;-23.79,-3.1,;-17.15,-1.33,;-7.44,2.71,;-5.98,2.24,;-8.21,4.05,;-9.75,4.05,;-7.44,5.38,)|
CN(C[C@H]1CC[C@@H](CC1)n1cc(NC(=O)c2coc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(F)F)C1CCN(Cc2cccc3n(C4CCC(=O)NC4=O)c(=O)n(C)c23)CC1 |r,wU:3.2,wD:6.9,(4.83,-3.86,;5.23,-2.38,;4.14,-1.29,;2.66,-1.69,;2.26,-3.17,;.77,-3.57,;-.32,-2.48,;.08,-.99,;1.57,-.6,;-1.81,-2.88,;-3.05,-1.98,;-4.3,-2.88,;-5.79,-2.48,;-6.19,-.99,;-5.1,.09,;-7.67,-.6,;-8.15,.87,;-9.69,.87,;-10.16,-.6,;-8.92,-1.5,;-11.65,-.99,;-12.05,-2.48,;-13.54,-2.88,;-14.63,-1.79,;-14.23,-.3,;-15.32,.78,;-16.81,.39,;-17.89,1.47,;-18.29,2.96,;-19.38,1.87,;-12.74,.09,;-3.82,-4.35,;-2.28,-4.35,;-4.91,-5.43,;-4.51,-6.92,;-6.4,-5.04,;6.72,-1.98,;7.12,-.49,;8.61,-.09,;9.69,-1.18,;11.18,-.78,;11.58,.71,;10.55,1.85,;11.03,3.32,;12.53,3.64,;13.56,2.49,;15.1,2.49,;16.17,3.6,;17.67,3.23,;18.74,4.33,;18.31,5.81,;19.38,6.92,;16.82,6.19,;15.75,5.08,;14.25,5.45,;15.58,1.03,;17.07,.63,;14.33,.12,;14.33,-1.42,;13.09,1.03,;9.3,-2.67,;7.81,-3.07,)|
CN(C[C@H]1CC[C@@H](CC1)n1cc(NC(=O)c2coc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(F)F)CC1CCN(Cc2cccc3n(C4CCC(=O)NC4=O)c(=O)n(C)c23)CC1 |r,wU:3.2,wD:6.9,(4.59,-2.07,;4.2,-3.56,;2.71,-3.96,;1.62,-2.87,;.13,-3.27,;-.96,-2.18,;-.56,-.69,;.93,-.3,;2.02,-1.38,;-1.65,.4,;-3.19,.4,;-3.66,1.86,;-5.15,2.26,;-6.24,1.17,;-5.84,-.32,;-7.73,1.57,;-8.2,3.03,;-9.74,3.03,;-10.22,1.57,;-8.97,.66,;-11.71,1.17,;-12.1,-.32,;-13.59,-.72,;-14.68,.37,;-14.28,1.86,;-15.37,2.95,;-16.86,2.55,;-17.95,3.64,;-18.35,5.13,;-19.44,4.04,;-12.79,2.26,;-2.42,2.76,;-1.17,1.86,;-2.82,4.25,;-1.73,5.34,;-4.3,4.65,;5.29,-4.65,;6.77,-4.25,;7.17,-2.76,;8.66,-2.37,;9.75,-3.46,;11.24,-3.06,;11.63,-1.57,;10.6,-.42,;11.08,1.04,;12.59,1.36,;13.62,.22,;15.16,.22,;16.23,1.32,;17.72,.95,;18.79,2.06,;18.37,3.54,;19.44,4.65,;16.87,3.91,;15.8,2.8,;14.31,3.18,;15.63,-1.25,;17.12,-1.65,;14.39,-2.15,;14.39,-3.69,;13.14,-1.25,;9.35,-4.94,;7.86,-5.34,)|
FC(F)c1nn(cc1NC(=O)c1coc(n1)-c1ccnc(NCC2CC2)c1)[C@H]1CC[C@H](CNCCOCCOCCCc2ccc3c(c2)n(C2CCC(=O)NC2=O)c2ncccc32)CC1 |r,wU:27.30,wD:30.34,(-6.16,-6.71,;-6.93,-5.38,;-8.47,-5.38,;-6.16,-4.04,;-4.7,-3.57,;-4.7,-2.03,;-6.16,-1.55,;-7.07,-2.8,;-8.61,-2.8,;-9.38,-1.46,;-8.61,-.13,;-10.92,-1.46,;-11.82,-2.71,;-13.29,-2.23,;-13.29,-.69,;-11.82,-.22,;-14.38,.4,;-13.98,1.88,;-15.07,2.97,;-16.55,2.57,;-16.95,1.09,;-18.44,.69,;-19.53,1.78,;-21.02,1.38,;-22.5,1.78,;-22.1,.29,;-15.86,-0,;-3.36,-1.26,;-3.36,.28,;-2.03,1.05,;-.7,.28,;.64,1.05,;1.97,.28,;3.31,1.05,;4.64,.28,;5.97,1.05,;7.31,.28,;8.64,1.05,;9.97,.28,;11.31,1.05,;12.64,.28,;13.97,1.05,;15.31,.28,;15.31,-1.26,;16.64,-2.03,;17.98,-1.26,;17.98,.28,;16.64,1.05,;19.44,.76,;19.84,2.25,;18.75,3.34,;19.15,4.82,;20.64,5.22,;21.03,6.71,;21.73,4.13,;21.33,2.65,;22.42,1.56,;20.35,-.49,;21.88,-.65,;22.5,-2.05,;21.6,-3.3,;20.07,-3.14,;19.44,-1.73,;-.7,-1.26,;-2.03,-2.03,)|
FC(F)c1nn(cc1NC(=O)c1coc(n1)-c1ccnc(NCC2CC2)c1)[C@H]1CC[C@H](CNCCOCCOCCCc2ccnc3n(C4CCC(=O)NC4=O)c4ccccc4c23)CC1 |r,wU:27.30,wD:30.34,(-13.42,-6.02,;-12.33,-7.11,;-12.73,-8.6,;-10.84,-6.71,;-9.59,-7.62,;-8.35,-6.71,;-8.82,-5.25,;-10.36,-5.25,;-11.45,-4.16,;-11.05,-2.67,;-9.57,-2.27,;-12.14,-1.58,;-13.68,-1.58,;-14.16,-.12,;-12.91,.79,;-11.67,-.12,;-13.31,2.27,;-14.65,3.04,;-14.65,4.58,;-13.31,5.35,;-11.98,4.58,;-10.64,5.35,;-10.64,6.89,;-9.31,7.66,;-7.77,7.66,;-8.54,9,;-11.98,3.04,;-6.86,-7.11,;-5.77,-6.02,;-4.28,-6.42,;-3.89,-7.91,;-2.4,-8.31,;-1.31,-7.22,;.18,-7.62,;1.27,-6.53,;2.76,-6.93,;3.84,-5.84,;5.33,-6.24,;6.42,-5.15,;7.91,-5.55,;9,-4.46,;10.48,-4.86,;11.57,-3.77,;13.06,-4.17,;14.15,-3.08,;13.75,-1.59,;12.26,-1.19,;11.57,.18,;12.34,1.52,;11.57,2.85,;12.34,4.18,;13.88,4.18,;14.65,5.52,;14.65,2.85,;13.88,1.52,;14.65,.18,;10.04,-.06,;8.85,.91,;7.41,.36,;7.17,-1.16,;8.37,-2.13,;9.8,-1.58,;11.18,-2.28,;-4.97,-9,;-6.46,-8.6,)|
CN(C[C@H]1CC[C@H](CC1)n1cc(NC(=O)c2coc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(F)F)C[C@@H]1CN(CCCc2ccc3n(C4CCC(=O)NC4=O)c(=O)n(C)c3c2)CCO1 |r,wU:37.41,wD:3.2,6.9,(3.61,-1.1,;3.61,-2.64,;2.28,-3.41,;.95,-2.64,;.95,-1.1,;-.39,-.33,;-1.72,-1.1,;-1.72,-2.64,;-.39,-3.41,;-3.05,-.33,;-4.52,-.8,;-5.42,.44,;-6.96,.44,;-7.73,-.89,;-6.96,-2.23,;-9.27,-.89,;-10.18,.35,;-11.64,-.12,;-11.64,-1.66,;-10.18,-2.14,;-12.73,-2.75,;-12.33,-4.24,;-13.42,-5.33,;-14.91,-4.93,;-15.31,-3.44,;-16.8,-3.04,;-17.89,-4.13,;-19.37,-3.73,;-20.46,-2.64,;-20.86,-4.13,;-14.22,-2.35,;-4.52,1.69,;-3.05,1.21,;-5.29,3.02,;-6.83,3.02,;-4.52,4.35,;4.95,-3.41,;6.28,-2.64,;7.62,-3.41,;8.95,-2.64,;10.28,-3.41,;11.62,-2.64,;12.95,-3.41,;14.28,-2.64,;14.28,-1.1,;15.62,-.33,;16.95,-1.1,;18.42,-.62,;18.81,.87,;20.3,1.26,;20.7,2.75,;19.61,3.84,;20.01,5.33,;18.12,3.44,;17.73,1.95,;16.24,1.56,;19.32,-1.87,;20.86,-1.87,;18.42,-3.11,;18.81,-4.6,;16.95,-2.64,;15.62,-3.41,;8.95,-1.1,;7.62,-.33,;6.28,-1.1,)|
Fc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)C1CCC[C@H](C1)NC(=O)C=C |r|
C=CC(=O)N[C@@H]1CCCC(C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 |r|
Cc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)C1CCC[C@H](C1)NC(=O)C=C |r|
C=CC(=O)N[C@H]1CCCC(C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 |r|
C=CC(=O)N[C@@H]1CNCC(C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 |r|
Fc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)C1CNC[C@H](C1)NC(=O)C=C |r|
CN1C[C@H](CC(C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1)NC(=O)C=C |r|
Fc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)C12CC(C1)(C2)NC(=O)C=C
C=CC(=O)N1CC2(CC(C2)n2cc(nn2)-c2ccc(NC(=O)c3cccc(n3)-c3cnoc3)nc2)C1
C=CC(=O)N1CC2(CC(C2)n2cc(nn2)-c2ccc(NC(=O)c3cccc(n3)-c3ccn[nH]3)nc2)C1
C=CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1 |r|
C=CC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 |r|
C=CC(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 |r|
C=CC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2cnoc2)nc1 |r|
C=CC(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2cnoc2)nc1 |r|
Fc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)[C@H]1CCCN(C1)C(=O)C=C |r|
Fc1cc(NC(=O)c2cccc(n2)-c2cnoc2)ccc1NC(=O)[C@H]1CCCN(C1)C(=O)C=C |r|
Fc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)[C@@H]1CCCN(C1)C(=O)C=C |r|
Fc1cc(NC(=O)c2cccc(n2)-c2cnoc2)ccc1NC(=O)[C@@H]1CCCN(C1)C(=O)C=C |r|
FC(F)(F)CN1C[C@H](C[C@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1)NC(=O)C=C |r|
FC(F)CN1C[C@H](C[C@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1)NC(=O)C=C |r|
CN(C)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
CCCn1c2ccc(CO)cc2[nH]\c1=N/C(=O)c1cccc(c1)C(N)=O
NC(=O)c1cccc(c1)C(=O)\N=c1/[nH]c2cc(CN3CCCCC3)ccc2n1C1CC[C@H](O)CC1 |r,wU:31.35,(7.11,15.57,;7.88,16.91,;9.42,16.91,;7.11,18.24,;7.88,19.57,;7.11,20.91,;5.57,20.91,;4.8,19.57,;5.57,18.24,;3.26,19.57,;2.49,20.91,;2.49,18.24,;.95,18.24,;.05,19.49,;-1.42,19.01,;-2.75,19.78,;-4.09,19.01,;-5.42,19.78,;-6.75,19.01,;-8.09,19.78,;-9.42,19.01,;-9.42,17.47,;-8.09,16.7,;-6.75,17.47,;-4.09,17.47,;-2.75,16.7,;-1.42,17.47,;.05,16.99,;.52,15.53,;-.51,14.39,;-.03,12.92,;1.47,12.6,;1.95,11.14,;2.5,13.75,;2.03,15.21,)|
CCCn1c2cc(CO)ccc2[nH]\c1=N/C(=O)c1cccc(c1)C(N)=O
CCCn1c2cc(CN3CCCCC3)ccc2[nH]\c1=N/C(=O)c1cccc(c1)C(N)=O
NC(=O)c1cccc(c1)C(=O)\N=c1/[nH]c2ccc(CN3CCCCC3)cc2n1C1CC[C@H](O)CC1 |r,wU:31.35,(7.11,-16.44,;7.88,-15.11,;9.42,-15.11,;7.11,-13.77,;7.88,-12.44,;7.11,-11.11,;5.57,-11.11,;4.8,-12.44,;5.57,-13.77,;3.26,-12.44,;2.49,-11.11,;2.49,-13.77,;.95,-13.77,;.05,-12.53,;-1.42,-13,;-2.75,-12.23,;-4.09,-13,;-4.09,-14.54,;-5.42,-15.31,;-6.75,-14.54,;-6.75,-13,;-8.09,-12.23,;-9.42,-13,;-9.42,-14.54,;-8.09,-15.31,;-2.75,-15.31,;-1.42,-14.54,;.05,-15.02,;.52,-16.48,;-.51,-17.63,;-.03,-19.09,;1.47,-19.41,;1.95,-20.88,;2.5,-18.27,;2.03,-16.8,)|
NC(=O)c1cccc(c1)C(=O)\N=c1/[nH]c2ccc(CO)cc2n1C1CC[C@H](O)CC1 |r,wU:26.29,(6.13,-28.42,;6.9,-27.09,;8.44,-27.09,;6.13,-25.76,;6.9,-24.42,;6.13,-23.09,;4.59,-23.09,;3.82,-24.42,;4.59,-25.76,;2.28,-24.42,;1.51,-23.09,;1.51,-25.76,;-.03,-25.76,;-.94,-24.51,;-2.4,-24.99,;-3.73,-24.22,;-5.07,-24.99,;-5.07,-26.53,;-6.4,-27.3,;-7.73,-26.53,;-3.73,-27.3,;-2.4,-26.53,;-.94,-27,;-.46,-28.47,;-1.49,-29.61,;-1.01,-31.08,;.49,-31.4,;.97,-32.86,;1.52,-30.25,;1.05,-28.79,)|
CCCn1c2ccc(CN3CCCCC3)cc2[nH]\c1=N/C(=O)c1cccc(c1)C(N)=O
CCCn1c2cc(CN(C)C)ccc2[nH]\c1=N/C(=O)c1cccc(c1)C(N)=O
CC12CCC(CC1)(CO2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC3CCC3)cc2n1 |(-10.28,-4.89,;-8.74,-4.89,;-7.97,-6.22,;-6.43,-6.22,;-5.66,-4.89,;-7.05,-4.48,;-7.51,-5.25,;-6.43,-3.56,;-7.97,-3.56,;-4.12,-4.89,;-3.22,-3.65,;-1.75,-4.12,;-.42,-3.35,;.92,-4.12,;2.25,-3.35,;2.25,-1.81,;3.58,-4.12,;4.92,-3.35,;4.92,-1.81,;6.25,-1.04,;7.58,-1.81,;7.58,-3.35,;8.92,-4.12,;9.69,-5.45,;10.46,-4.12,;6.25,-4.12,;6.25,-5.66,;.92,-5.66,;2.25,-6.43,;2.25,-7.97,;1.16,-9.06,;2.25,-10.15,;3.34,-9.06,;-.42,-6.43,;-1.75,-5.66,;-3.22,-6.14,)|
CCC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC(C)C)cc2n1 |(-10.57,-16.66,;-9.16,-17.29,;-7.92,-16.38,;-6.45,-16.86,;-5.55,-15.61,;-7.04,-15.21,;-6.45,-14.37,;-7.92,-14.84,;-4.01,-15.61,;-3.1,-14.37,;-1.64,-14.84,;-.3,-14.07,;1.03,-14.84,;2.36,-14.07,;2.36,-12.53,;3.7,-14.84,;5.03,-14.07,;5.03,-12.53,;6.36,-11.76,;7.7,-12.53,;7.7,-14.07,;9.03,-14.84,;9.8,-16.18,;10.57,-14.84,;6.36,-14.84,;6.36,-16.38,;1.03,-16.38,;2.36,-17.15,;2.36,-18.69,;3.7,-19.46,;1.03,-19.46,;-.3,-17.15,;-1.64,-16.38,;-3.1,-16.86,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CCC(C)(CC1)OC2
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(C)(C1)OC2 |(3.04,-17.45,;1.7,-16.68,;.37,-17.45,;1.7,-15.14,;.37,-14.37,;-.96,-15.14,;-2.3,-14.37,;-3.76,-14.84,;-4.67,-13.6,;-3.76,-12.35,;-2.3,-12.83,;-.96,-12.06,;.37,-12.83,;1.7,-12.06,;1.7,-10.52,;3.04,-12.83,;4.37,-12.06,;4.37,-10.52,;5.7,-9.75,;7.04,-10.52,;7.04,-12.06,;8.37,-12.83,;9.14,-14.16,;9.91,-12.83,;5.7,-12.83,;5.7,-14.37,;-6.21,-13.6,;-7.11,-14.84,;-8.58,-14.37,;-9.91,-15.14,;-7.7,-13.2,;-8.58,-12.83,;-7.11,-12.35,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@]12CC[C@@](CF)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@]12CC[C@](CF)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(CF)(C1)OC2 |(3.04,-17.45,;1.7,-16.68,;.37,-17.45,;1.7,-15.14,;.37,-14.37,;-.96,-15.14,;-2.3,-14.37,;-3.76,-14.84,;-4.67,-13.6,;-3.76,-12.35,;-2.3,-12.83,;-.96,-12.06,;.37,-12.83,;1.7,-12.06,;1.7,-10.52,;3.04,-12.83,;4.37,-12.06,;4.37,-10.52,;5.7,-9.75,;7.04,-10.52,;7.04,-12.06,;8.37,-12.83,;9.14,-14.16,;9.91,-12.83,;5.7,-12.83,;5.7,-14.37,;-6.21,-13.6,;-7.11,-14.84,;-8.58,-14.37,;-9.91,-15.14,;-9.91,-16.68,;-7.7,-13.2,;-8.58,-12.83,;-7.11,-12.35,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(CF)(C1)OC2 |(3.04,-17.45,;1.7,-16.68,;.37,-17.45,;1.7,-15.14,;.37,-14.37,;-.96,-15.14,;-2.3,-14.37,;-3.76,-14.84,;-4.67,-13.6,;-3.76,-12.35,;-2.3,-12.83,;-.96,-12.06,;.37,-12.83,;1.7,-12.06,;1.7,-10.52,;3.04,-12.83,;4.37,-12.06,;4.37,-10.52,;5.7,-9.75,;7.04,-10.52,;7.04,-12.06,;8.37,-12.83,;9.14,-14.16,;9.91,-12.83,;5.7,-12.83,;5.7,-14.37,;-6.21,-13.6,;-7.11,-14.84,;-8.58,-14.37,;-9.91,-15.14,;-9.91,-16.68,;-7.7,-13.2,;-8.58,-12.83,;-7.11,-12.35,)|
COCC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC(C)C)cc2n1 |(-10.58,-17.88,;-9.24,-17.11,;-9.24,-15.57,;-7.91,-14.8,;-6.45,-15.28,;-5.54,-14.03,;-7.03,-13.64,;-6.45,-12.79,;-7.91,-13.26,;-4,-14.03,;-3.1,-12.79,;-1.63,-13.26,;-.3,-12.49,;1.04,-13.26,;2.37,-12.49,;2.37,-10.95,;3.7,-13.26,;5.04,-12.49,;5.04,-10.95,;6.37,-10.18,;7.7,-10.95,;7.7,-12.49,;9.04,-13.26,;9.81,-14.6,;10.58,-13.26,;6.37,-13.26,;6.37,-14.8,;1.04,-14.8,;2.37,-15.57,;2.37,-17.11,;3.7,-17.88,;1.04,-17.88,;-.3,-15.57,;-1.63,-14.8,;-3.1,-15.28,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC[C@@H](C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(CF)(C1)OC2 |r,wU:2.2,(4.33,-12.43,;2.99,-13.2,;1.66,-12.43,;.33,-13.2,;1.66,-10.89,;.33,-10.12,;-1.01,-10.89,;-2.34,-10.12,;-3.81,-10.6,;-4.71,-9.35,;-3.81,-8.11,;-2.34,-8.58,;-1.01,-7.81,;.33,-8.58,;1.66,-7.81,;1.66,-6.27,;2.99,-8.58,;4.33,-7.81,;4.33,-6.27,;5.66,-5.5,;6.99,-6.27,;6.99,-7.81,;8.33,-8.58,;9.1,-9.92,;9.87,-8.58,;5.66,-8.58,;5.66,-10.12,;-6.25,-9.35,;-7.16,-10.6,;-8.62,-10.12,;-9.87,-11.03,;-9.87,-12.57,;-7.74,-8.95,;-8.62,-8.58,;-7.16,-8.11,)|
CC[C@H](C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(CF)(C1)OC2 |r,wD:2.2,(4.33,-12.43,;2.99,-13.2,;1.66,-12.43,;.33,-13.2,;1.66,-10.89,;.33,-10.12,;-1.01,-10.89,;-2.34,-10.12,;-3.81,-10.6,;-4.71,-9.35,;-3.81,-8.11,;-2.34,-8.58,;-1.01,-7.81,;.33,-8.58,;1.66,-7.81,;1.66,-6.27,;2.99,-8.58,;4.33,-7.81,;4.33,-6.27,;5.66,-5.5,;6.99,-6.27,;6.99,-7.81,;8.33,-8.58,;9.1,-9.92,;9.87,-8.58,;5.66,-8.58,;5.66,-10.12,;-6.25,-9.35,;-7.16,-10.6,;-8.62,-10.12,;-9.87,-11.03,;-9.87,-12.57,;-7.74,-8.95,;-8.62,-8.58,;-7.16,-8.11,)|
C[C@@]12CC[C@@](CO1)(C2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC3CCC3)nc2n1 |r|
C[C@]12CC[C@](CO1)(C2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC3CCC3)nc2n1 |r|
CC(C)Oc1c(cn2cc(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)C6CC6
CC[C@H](C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(C)(C1)OC2 |r,wD:2.2,(4.33,-3.08,;2.99,-3.85,;1.66,-3.08,;.33,-3.85,;1.66,-1.54,;.33,-.77,;-1.01,-1.54,;-2.34,-.77,;-3.81,-1.25,;-4.71,,;-3.81,1.25,;-2.34,.77,;-1.01,1.54,;.33,.77,;1.66,1.54,;1.66,3.08,;2.99,.77,;4.33,1.54,;4.33,3.08,;5.66,3.85,;6.99,3.08,;6.99,1.54,;8.33,.77,;9.1,-.56,;9.87,.77,;5.66,.77,;5.66,-.77,;-6.25,,;-7.16,-1.25,;-8.62,-.77,;-9.87,-1.68,;-7.79,,;-8.62,.77,;-7.16,1.25,)|
CCC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC[C@@H](C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC[C@H](C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC12CCC(CO1)(C2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC3CCC3)cc2n1
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(c1=O)C1(C)CC1)C12CC(C)(C1)OC2 |(3.43,-10.86,;2.1,-10.09,;.76,-10.86,;2.1,-8.55,;.76,-7.78,;-.57,-8.55,;-1.9,-7.78,;-3.37,-8.26,;-4.27,-7.01,;-3.37,-5.76,;-1.9,-6.24,;-.57,-5.47,;.76,-6.24,;2.1,-5.47,;2.1,-3.93,;3.43,-6.24,;4.76,-5.47,;4.76,-3.93,;6.1,-3.16,;7.43,-3.93,;7.43,-5.47,;6.1,-6.24,;6.1,-7.78,;8.77,-6.24,;9.54,-4.91,;9.54,-7.57,;10.31,-6.24,;-5.81,-7.01,;-6.72,-8.26,;-8.18,-7.78,;-9.52,-8.55,;-7.3,-6.61,;-8.18,-6.24,;-6.72,-5.76,)|
C[C@@]12CC[C@@](CO1)(C2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC3CCC3)cc2n1 |r|
C[C@]12CC[C@](CO1)(C2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC3CCC3)cc2n1 |r|
CC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC3CCC3)cc2n1 |(-9.52,-9.46,;-8.18,-8.69,;-6.72,-9.16,;-5.81,-7.92,;-7.3,-7.52,;-6.72,-6.67,;-8.18,-7.15,;-4.27,-7.92,;-3.37,-6.67,;-1.9,-7.15,;-.57,-6.38,;.76,-7.15,;2.1,-6.38,;2.1,-4.84,;3.43,-7.15,;4.76,-6.38,;4.76,-4.84,;6.1,-4.07,;7.43,-4.84,;7.43,-6.38,;8.77,-7.15,;9.54,-8.48,;10.31,-7.15,;6.1,-7.15,;6.1,-8.69,;.76,-8.69,;2.1,-9.46,;2.1,-11,;1.01,-12.09,;2.1,-13.17,;3.19,-12.09,;-.57,-9.46,;-1.9,-8.69,;-3.37,-9.16,)|
C[C@@H](CF)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(C)(C1)OC2 |r,wD:1.0,(.76,-12.47,;2.1,-11.7,;3.43,-12.47,;4.76,-11.7,;2.1,-10.16,;.76,-9.39,;-.57,-10.16,;-1.9,-9.39,;-3.37,-9.87,;-4.27,-8.62,;-3.37,-7.37,;-1.9,-7.85,;-.57,-7.08,;.76,-7.85,;2.1,-7.08,;2.1,-5.54,;3.43,-7.85,;4.76,-7.08,;4.76,-5.54,;6.1,-4.77,;7.43,-5.54,;7.43,-7.08,;8.77,-7.85,;9.54,-9.18,;10.31,-7.85,;6.1,-7.85,;6.1,-9.39,;-5.81,-8.62,;-6.72,-9.87,;-8.18,-9.39,;-9.52,-10.16,;-7.3,-8.22,;-8.18,-7.85,;-6.72,-7.37,)|
C[C@H](CF)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(C)(C1)OC2 |r,wU:1.0,(.76,-12.47,;2.1,-11.7,;3.43,-12.47,;4.76,-11.7,;2.1,-10.16,;.76,-9.39,;-.57,-10.16,;-1.9,-9.39,;-3.37,-9.87,;-4.27,-8.62,;-3.37,-7.37,;-1.9,-7.85,;-.57,-7.08,;.76,-7.85,;2.1,-7.08,;2.1,-5.54,;3.43,-7.85,;4.76,-7.08,;4.76,-5.54,;6.1,-4.77,;7.43,-5.54,;7.43,-7.08,;8.77,-7.85,;9.54,-9.18,;10.31,-7.85,;6.1,-7.85,;6.1,-9.39,;-5.81,-8.62,;-6.72,-9.87,;-8.18,-9.39,;-9.52,-10.16,;-7.3,-8.22,;-8.18,-7.85,;-6.72,-7.37,)|
C[C@@H](CF)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CCC(C)(C1)OC2 |r|
CCC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC(C)C)nc2n1 |(-10.58,-6.3,;-9.24,-7.07,;-7.91,-6.3,;-6.45,-6.78,;-5.54,-5.53,;-7.03,-5.13,;-6.45,-4.29,;-7.91,-4.76,;-4,-5.53,;-3.1,-4.29,;-1.63,-4.76,;-.3,-3.99,;1.04,-4.76,;2.37,-3.99,;2.37,-2.45,;3.7,-4.76,;5.04,-3.99,;5.04,-2.45,;6.37,-1.68,;7.7,-2.45,;7.7,-3.99,;9.04,-4.76,;9.81,-6.1,;10.58,-4.76,;6.37,-4.76,;6.37,-6.3,;1.04,-6.3,;2.37,-7.07,;2.37,-8.61,;3.7,-9.38,;1.04,-9.38,;-.3,-7.07,;-1.63,-6.3,;-3.1,-6.78,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CCC(C1)OC2
FCC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC3CCC3)nc2n1 |(-10.58,-12.45,;-9.24,-13.22,;-7.91,-12.45,;-6.45,-12.93,;-5.54,-11.68,;-7.03,-11.28,;-6.45,-10.44,;-7.91,-10.91,;-4,-11.68,;-3.1,-10.44,;-1.63,-10.91,;-.3,-10.14,;1.04,-10.91,;2.37,-10.14,;2.37,-8.6,;3.7,-10.91,;5.04,-10.14,;5.04,-8.6,;6.37,-7.83,;7.7,-8.6,;7.7,-10.14,;9.04,-10.91,;9.81,-12.25,;10.58,-10.91,;6.37,-10.91,;6.37,-12.45,;1.04,-12.45,;2.37,-13.22,;2.37,-14.76,;1.28,-15.85,;2.37,-16.94,;3.46,-15.85,;-.3,-13.22,;-1.63,-12.45,;-3.1,-12.93,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(C1)OC2 |(.65,-12.47,;1.98,-11.7,;3.32,-12.47,;1.98,-10.16,;.65,-9.39,;-.69,-10.16,;-2.02,-9.39,;-3.48,-9.87,;-4.39,-8.62,;-3.48,-7.37,;-2.02,-7.85,;-.69,-7.08,;.65,-7.85,;1.98,-7.08,;1.98,-5.54,;3.32,-7.85,;4.65,-7.08,;4.65,-5.54,;5.98,-4.77,;7.32,-5.54,;7.32,-7.08,;8.65,-7.85,;9.42,-9.18,;10.19,-7.85,;5.98,-7.85,;5.98,-9.39,;-5.93,-8.62,;-6.83,-9.87,;-8.3,-9.39,;-7.42,-8.22,;-8.3,-7.85,;-6.83,-7.37,)|
COCC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC(C)C)cc2n1 |(-11.12,-11.05,;-9.78,-10.28,;-8.45,-11.05,;-7.12,-10.28,;-5.65,-10.76,;-4.75,-9.51,;-6.24,-9.11,;-5.65,-8.27,;-7.12,-8.74,;-3.21,-9.51,;-2.3,-8.27,;-.84,-8.74,;.5,-7.97,;1.83,-8.74,;3.16,-7.97,;3.16,-6.43,;4.5,-8.74,;5.83,-7.97,;5.83,-6.43,;7.16,-5.66,;8.5,-6.43,;8.5,-7.97,;9.83,-8.74,;10.6,-10.08,;11.37,-8.74,;7.16,-8.74,;7.16,-10.28,;1.83,-10.28,;3.16,-11.05,;3.16,-12.59,;1.83,-13.36,;4.5,-13.36,;.5,-11.05,;-.84,-10.28,;-2.3,-10.76,)|
O=C(Nc1cccn(C2CC2)c1=O)c1cn2cc(nc2cc1OC1CCC1)C12CC(C1)OC2 |(1.98,-4.84,;1.98,-6.38,;3.32,-7.15,;4.65,-6.38,;4.65,-4.84,;5.98,-4.07,;7.32,-4.84,;7.32,-6.38,;8.65,-7.15,;9.42,-8.48,;10.19,-7.15,;5.98,-7.15,;5.98,-8.69,;.65,-7.15,;-.69,-6.38,;-2.02,-7.15,;-3.48,-6.67,;-4.39,-7.92,;-3.48,-9.16,;-2.02,-8.69,;-.69,-9.46,;.65,-8.69,;1.98,-9.46,;1.98,-11,;.89,-12.09,;1.98,-13.17,;3.07,-12.09,;-5.93,-7.92,;-6.83,-9.16,;-8.3,-8.69,;-7.42,-7.52,;-8.3,-7.15,;-6.83,-6.67,)|
O=C(Nc1cccn(C2CC2)c1=O)c1cn2cc(nc2cc1OC1CCC1)C12CC(C1)OC2 |(1.92,-4.07,;1.92,-5.61,;3.26,-6.38,;4.6,-5.61,;4.62,-4.05,;5.96,-3.3,;7.32,-4.08,;7.33,-5.68,;8.67,-6.45,;10.2,-6.48,;9.45,-7.74,;6,-6.36,;6,-7.89,;.59,-6.38,;-.84,-5.66,;-2.21,-6.45,;-3.68,-5.96,;-4.62,-7.2,;-3.71,-8.47,;-2.21,-7.95,;-.75,-8.7,;.56,-7.95,;1.89,-8.72,;1.89,-10.26,;.8,-11.32,;1.89,-12.38,;2.98,-11.32,;-6.16,-7.2,;-7.47,-7,;-8.48,-7.95,;-7.01,-8.43,;-8.54,-6.48,;-7,-5.99,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CCC(C1)OC2
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@]12CC[C@@H](C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@]12CC[C@H](C1)OC2 |r|
CC[C@@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:22.23,2.2,24.27,(4.77,-15.57,;3.43,-16.34,;2.1,-15.57,;.76,-16.34,;2.1,-14.03,;.76,-13.26,;-.59,-14.09,;-1.99,-13.3,;-3.48,-13.84,;-4.4,-12.59,;-3.48,-11.34,;-1.98,-11.84,;-.66,-11.01,;.77,-11.74,;2.11,-10.97,;2.11,-9.43,;3.44,-11.74,;4.78,-10.97,;4.81,-9.44,;6.14,-8.7,;7.5,-9.44,;7.5,-11.03,;8.83,-11.8,;9.61,-13.06,;10.36,-11.85,;11.69,-11.08,;6.14,-11.71,;6.14,-13.25,;-5.94,-12.59,;-7.25,-12.31,;-8.3,-13.13,;-9.64,-13.9,;-6.89,-13.74,;-8.24,-11.7,;-6.68,-11.32,)|
CC[C@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:22.23,24.27,wD:2.2,(4.77,-15.57,;3.43,-16.34,;2.1,-15.57,;.76,-16.34,;2.1,-14.03,;.76,-13.26,;-.59,-14.09,;-1.99,-13.3,;-3.48,-13.84,;-4.4,-12.59,;-3.48,-11.34,;-1.98,-11.84,;-.66,-11.01,;.77,-11.74,;2.11,-10.97,;2.11,-9.43,;3.44,-11.74,;4.78,-10.97,;4.81,-9.44,;6.14,-8.7,;7.5,-9.44,;7.5,-11.03,;8.83,-11.8,;9.61,-13.06,;10.36,-11.85,;11.69,-11.08,;6.14,-11.71,;6.14,-13.25,;-5.94,-12.59,;-7.25,-12.31,;-8.3,-13.13,;-9.64,-13.9,;-6.89,-13.74,;-8.24,-11.7,;-6.68,-11.32,)|
CCOc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(C)(C1)OC2 |(3.3,-9.96,;1.97,-9.19,;1.97,-7.65,;.64,-6.88,;-.66,-7.73,;-2.14,-7.01,;-3.56,-7.6,;-4.57,-6.36,;-3.67,-5.11,;-2.14,-5.53,;-.83,-4.68,;.64,-5.34,;1.97,-4.57,;1.97,-3.03,;3.31,-5.34,;4.64,-4.57,;4.67,-3.06,;6.02,-2.34,;7.43,-3.06,;7.43,-4.64,;8.76,-5.41,;10.3,-5.45,;9.55,-6.68,;6.05,-5.3,;6.05,-6.84,;-6.11,-6.36,;-7.45,-6.18,;-8.48,-7.08,;-9.73,-7.98,;-6.94,-7.56,;-8.46,-5.64,;-6.94,-5.17,)|
CCC12CCC(CO1)(C2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC(C)C)nc2n1
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CCC(CF)(C1)OC2
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@]12CC[C@@](CF)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@]12CC[C@](CF)(C1)OC2 |r|
CC[C@@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC[C@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC[C@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC[C@@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(CF)(C1)OC2 |r,wU:21.22,23.26,(.61,-16.64,;1.95,-15.87,;3.28,-16.64,;1.95,-14.33,;.61,-13.56,;-.76,-14.38,;-2.13,-13.56,;-3.64,-14.08,;-4.55,-12.84,;-3.64,-11.6,;-2.13,-12.12,;-.76,-11.34,;.65,-12.06,;1.98,-11.29,;1.98,-9.75,;3.31,-12.06,;4.65,-11.29,;4.69,-9.75,;6.04,-9.04,;7.41,-9.81,;7.39,-11.38,;8.73,-12.15,;9.48,-13.38,;10.26,-12.19,;11.6,-11.42,;6.01,-12.02,;6.01,-13.56,;-6.09,-12.84,;-7.44,-12.65,;-8.45,-13.56,;-9.7,-14.47,;-11.1,-13.84,;-6.98,-14.05,;-8.48,-12.12,;-7,-11.62,)|
COCC12CCC(CO1)(C2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC(C)C)nc2n1
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(C1)OC2 |(.65,-11.96,;1.98,-11.19,;3.32,-11.96,;1.98,-9.65,;.65,-8.88,;-.69,-9.65,;-2.02,-8.88,;-3.48,-9.36,;-4.39,-8.11,;-3.48,-6.86,;-2.02,-7.34,;-.69,-6.57,;.65,-7.34,;1.98,-6.57,;1.98,-5.03,;3.32,-7.34,;4.65,-6.57,;4.65,-5.03,;5.98,-4.26,;7.32,-5.03,;7.32,-6.57,;8.65,-7.34,;10.19,-7.34,;9.42,-8.67,;5.98,-7.34,;5.98,-8.88,;-5.93,-8.11,;-7.3,-7.92,;-8.3,-8.88,;-6.83,-9.36,;-8.3,-7.34,;-6.83,-6.86,)|
CC[C@@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CCC(CF)(C1)OC2 |r|
CC[C@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CCC(CF)(C1)OC2 |r|
CC[C@@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:22.23,2.2,24.27,(3.41,-13.31,;2.08,-14.08,;.75,-13.31,;-.59,-14.08,;.75,-11.77,;-.59,-11,;-1.92,-11.77,;-3.26,-11,;-4.72,-11.48,;-5.63,-10.23,;-4.72,-8.99,;-3.26,-9.46,;-1.92,-8.69,;-.59,-9.46,;.75,-8.69,;.75,-7.15,;2.08,-9.46,;3.41,-8.69,;3.41,-7.15,;4.75,-6.38,;6.08,-7.15,;6.08,-8.69,;7.41,-9.46,;8.18,-10.8,;8.95,-9.46,;10.29,-8.69,;4.75,-9.46,;4.75,-11,;-7.17,-10.23,;-8.07,-11.48,;-9.54,-11,;-10.78,-11.91,;-8.53,-10.07,;-9.54,-9.46,;-8.07,-8.99,)|
CC[C@@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:2.2,wD:22.23,24.27,(3.41,-13.31,;2.08,-14.08,;.74,-13.31,;-.59,-14.08,;.74,-11.77,;-.59,-11,;-1.92,-11.77,;-3.26,-11,;-4.72,-11.48,;-5.63,-10.23,;-4.72,-8.99,;-3.26,-9.46,;-1.92,-8.69,;-.59,-9.46,;.74,-8.69,;.74,-7.15,;2.08,-9.46,;3.41,-8.69,;3.41,-7.15,;4.75,-6.38,;6.08,-7.15,;6.08,-8.69,;7.41,-9.46,;8.18,-10.8,;8.95,-9.46,;10.29,-8.69,;4.75,-9.46,;4.75,-11,;-7.17,-10.23,;-8.07,-11.48,;-9.54,-11,;-10.78,-11.91,;-8.53,-10.07,;-9.54,-9.46,;-8.07,-8.99,)|
CC[C@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:22.23,24.27,wD:2.2,(2.04,9.03,;.71,8.26,;-.63,9.03,;-1.96,8.26,;-.63,10.57,;-1.96,11.34,;-3.3,10.57,;-4.63,11.34,;-6.09,10.86,;-7,12.11,;-6.09,13.36,;-4.63,12.88,;-3.3,13.65,;-1.96,12.88,;-.63,13.65,;-.63,15.19,;.71,12.88,;2.04,13.65,;2.04,15.19,;3.37,15.96,;4.71,15.19,;4.71,13.65,;6.04,12.88,;6.81,11.55,;7.58,12.88,;8.91,13.65,;3.37,12.88,;3.37,11.34,;-8.54,12.11,;-9.44,10.86,;-10.91,11.34,;-12.15,10.44,;-9.91,12.27,;-10.91,12.88,;-9.44,13.36,)|
CC[C@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wD:22.23,2.2,24.27,(2.04,9.03,;.71,8.26,;-.63,9.03,;-1.96,8.26,;-.63,10.57,;-1.96,11.34,;-3.3,10.57,;-4.63,11.34,;-6.09,10.87,;-7,12.11,;-6.09,13.36,;-4.63,12.88,;-3.3,13.65,;-1.96,12.88,;-.63,13.65,;-.63,15.19,;.71,12.88,;2.04,13.65,;2.04,15.19,;3.37,15.96,;4.71,15.19,;4.71,13.65,;6.04,12.88,;6.81,11.55,;7.58,12.88,;8.91,13.65,;3.37,12.88,;3.37,11.34,;-8.54,12.11,;-9.44,10.87,;-10.91,11.34,;-12.16,10.44,;-9.91,12.27,;-10.91,12.88,;-9.44,13.36,)|
CC(C)Oc1c(F)c2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(C)(C1)OC2 |(.76,-9.87,;2.1,-9.1,;3.43,-9.87,;2.1,-7.56,;.76,-6.79,;-.57,-7.56,;-.57,-9.1,;-1.9,-6.79,;-3.37,-7.27,;-4.27,-6.02,;-3.37,-4.78,;-1.9,-5.25,;-.57,-4.48,;.76,-5.25,;2.1,-4.48,;2.1,-2.94,;3.43,-5.25,;4.76,-4.48,;4.76,-2.94,;6.1,-2.17,;7.43,-2.94,;7.43,-4.48,;8.76,-5.25,;10.3,-5.25,;9.53,-6.59,;6.1,-5.25,;6.1,-6.79,;-5.81,-6.02,;-7.19,-5.83,;-8.18,-6.79,;-9.43,-7.7,;-6.72,-7.27,;-8.18,-5.25,;-6.72,-4.78,)|
COC12CC(C1)(C2)c1cn2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC(C)C)cc2n1
CC[C@@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(C)(C1)OC2 |r,wU:2.2,(4.33,-12.86,;2.99,-13.63,;1.66,-12.86,;.33,-13.63,;1.66,-11.32,;.33,-10.55,;-1.01,-11.32,;-2.34,-10.55,;-3.81,-11.03,;-4.71,-9.78,;-3.81,-8.53,;-2.34,-9.01,;-1.01,-8.24,;.33,-9.01,;1.66,-8.24,;1.66,-6.7,;2.99,-9.01,;4.33,-8.24,;4.33,-6.7,;5.66,-5.93,;6.99,-6.7,;6.99,-8.24,;8.33,-9.01,;9.87,-9.01,;9.1,-10.34,;5.66,-9.01,;5.66,-10.55,;-6.25,-9.78,;-7.62,-9.59,;-8.62,-10.55,;-9.87,-11.46,;-7.16,-11.03,;-8.62,-9.01,;-7.16,-8.53,)|
CC[C@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(C)(C1)OC2 |r,wD:2.2,(4.33,-12.86,;2.99,-13.63,;1.66,-12.86,;.33,-13.63,;1.66,-11.32,;.33,-10.55,;-1.01,-11.32,;-2.34,-10.55,;-3.81,-11.03,;-4.71,-9.78,;-3.81,-8.53,;-2.34,-9.01,;-1.01,-8.24,;.33,-9.01,;1.66,-8.24,;1.66,-6.7,;2.99,-9.01,;4.33,-8.24,;4.33,-6.7,;5.66,-5.93,;6.99,-6.7,;6.99,-8.24,;8.33,-9.01,;9.87,-9.01,;9.1,-10.34,;5.66,-9.01,;5.66,-10.55,;-6.25,-9.78,;-7.62,-9.59,;-8.62,-10.55,;-9.87,-11.46,;-7.16,-11.03,;-8.62,-9.01,;-7.16,-8.53,)|
CC[C@@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(CF)(C1)OC2 |r,wU:2.2,(5.02,-13.92,;3.69,-14.69,;2.35,-13.92,;1.02,-14.69,;2.35,-12.38,;1.02,-11.61,;-.32,-12.38,;-1.65,-11.61,;-3.11,-12.08,;-4.02,-10.84,;-3.11,-9.59,;-1.65,-10.07,;-.32,-9.3,;1.02,-10.07,;2.35,-9.3,;2.35,-7.76,;3.69,-10.07,;5.02,-9.3,;5.02,-7.76,;6.35,-6.99,;7.69,-7.76,;7.69,-9.3,;9.02,-10.07,;10.56,-10.07,;9.79,-11.4,;6.35,-10.07,;6.35,-11.61,;-5.56,-10.84,;-6.93,-10.65,;-7.93,-11.61,;-9.18,-12.51,;-10.58,-11.89,;-6.47,-12.08,;-7.93,-10.07,;-6.47,-9.59,)|
CC[C@H](C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(CF)(C1)OC2 |r,wD:2.2,(5.02,-13.92,;3.69,-14.69,;2.35,-13.92,;1.02,-14.69,;2.35,-12.38,;1.02,-11.61,;-.32,-12.38,;-1.65,-11.61,;-3.11,-12.08,;-4.02,-10.84,;-3.11,-9.59,;-1.65,-10.07,;-.32,-9.3,;1.02,-10.07,;2.35,-9.3,;2.35,-7.76,;3.69,-10.07,;5.02,-9.3,;5.02,-7.76,;6.35,-6.99,;7.69,-7.76,;7.69,-9.3,;9.02,-10.07,;10.56,-10.07,;9.79,-11.4,;6.35,-10.07,;6.35,-11.61,;-5.56,-10.84,;-6.93,-10.65,;-7.93,-11.61,;-9.18,-12.51,;-10.58,-11.89,;-6.47,-12.08,;-7.93,-10.07,;-6.47,-9.59,)|
CC(C)Oc1c(F)c2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1c(F)c2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@@H]1COCCO1 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@H]1COCCO1 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1ccnn(C2CC2)c1=O)C12CC(C)(C1)OC2 |(.76,-8.17,;2.1,-7.4,;3.43,-8.17,;2.1,-5.86,;.76,-5.09,;-.57,-5.86,;-1.9,-5.09,;-3.37,-5.57,;-4.27,-4.32,;-3.37,-3.08,;-1.9,-3.55,;-.57,-2.78,;.76,-3.55,;2.1,-2.78,;2.1,-1.24,;3.43,-3.55,;4.76,-2.78,;4.76,-1.24,;6.1,-.47,;7.43,-1.24,;7.43,-2.78,;8.76,-3.55,;10.3,-3.55,;9.53,-4.89,;6.1,-3.55,;6.1,-5.09,;-5.81,-4.32,;-7.19,-4.13,;-8.18,-5.09,;-9.43,-6,;-6.72,-5.57,;-8.18,-3.55,;-6.72,-3.08,)|
CC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3ccnn(C4CC4)c3=O)c(OC3CCC3)nc2n1 |(-9.43,-5.96,;-8.18,-5.06,;-7.19,-4.1,;-5.81,-4.29,;-6.72,-5.53,;-6.72,-3.04,;-8.18,-3.52,;-4.27,-4.29,;-3.37,-3.04,;-1.9,-3.52,;-.57,-2.75,;.76,-3.52,;2.1,-2.75,;2.1,-1.21,;3.43,-3.52,;4.76,-2.75,;4.76,-1.21,;6.1,-.44,;7.43,-1.21,;7.43,-2.75,;8.76,-3.52,;9.53,-4.85,;10.3,-3.52,;6.1,-3.52,;6.1,-5.06,;.76,-5.06,;2.1,-5.83,;2.1,-7.37,;1.01,-8.46,;2.1,-9.55,;3.19,-8.46,;-.57,-5.83,;-1.9,-5.06,;-3.37,-5.53,)|
CC(C)Oc1c(F)c2nc(cn2cc1C(=O)Nc1ccnn(C2CC2)c1=O)C12CC(C)(C1)OC2 |(.76,-8.27,;2.1,-7.5,;3.43,-8.27,;2.1,-5.96,;.76,-5.19,;-.57,-5.96,;-.57,-7.5,;-1.9,-5.19,;-3.37,-5.67,;-4.27,-4.42,;-3.37,-3.18,;-1.9,-3.65,;-.57,-2.88,;.76,-3.65,;2.1,-2.88,;2.1,-1.34,;3.43,-3.65,;4.76,-2.88,;4.76,-1.34,;6.1,-.57,;7.43,-1.34,;7.43,-2.88,;8.76,-3.65,;10.3,-3.65,;9.53,-4.99,;6.1,-3.65,;6.1,-5.19,;-5.81,-4.42,;-7.19,-4.23,;-8.18,-5.19,;-9.43,-6.1,;-6.72,-5.67,;-8.18,-3.65,;-6.72,-3.18,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1ccnn(C2CC2)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1ccnn(C2CC2)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1ccnn(C2CC2)c1=O)C12CC(C)(C1)OC2 |(.76,-8.04,;2.1,-7.27,;3.43,-8.04,;2.1,-5.73,;.76,-4.96,;-.57,-5.73,;-1.9,-4.96,;-3.37,-5.44,;-4.27,-4.19,;-3.37,-2.95,;-1.9,-3.42,;-.57,-2.65,;.76,-3.42,;2.1,-2.65,;2.1,-1.11,;3.43,-3.42,;4.76,-2.65,;4.76,-1.11,;6.1,-.34,;7.43,-1.11,;7.43,-2.65,;8.76,-3.42,;10.3,-3.42,;9.53,-4.76,;6.1,-3.42,;6.1,-4.96,;-5.81,-4.19,;-7.19,-4,;-8.18,-4.96,;-9.43,-5.87,;-6.72,-5.44,;-8.18,-3.42,;-6.72,-2.95,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CCC(C)(CC1)OC2
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2CC2(C)C)c1=O)C12CC(C)(C1)OC2 |r,wU:21.22,(12.9,.77,;14.24,1.54,;15.57,.77,;14.24,3.08,;12.9,3.85,;11.57,3.08,;10.24,3.85,;8.77,3.37,;7.87,4.62,;8.77,5.87,;10.24,5.39,;11.57,6.16,;12.9,5.39,;14.24,6.16,;14.24,7.7,;15.57,5.39,;16.9,6.16,;16.9,7.7,;18.24,8.47,;19.57,7.7,;19.57,6.16,;20.91,5.39,;21.68,4.06,;20.08,4.09,;18.55,4.29,;19.38,2.72,;18.24,5.39,;18.24,3.85,;6.33,4.62,;4.95,4.81,;3.96,3.85,;2.71,2.95,;5.42,3.37,;3.96,5.39,;5.42,5.87,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2CC2(C)C)c1=O)C12CC(C)(C1)OC2 |r,wD:21.22,(12.9,.77,;14.24,1.54,;15.57,.77,;14.24,3.08,;12.9,3.85,;11.57,3.08,;10.23,3.85,;8.77,3.37,;7.86,4.62,;8.77,5.87,;10.23,5.39,;11.57,6.16,;12.9,5.39,;14.24,6.16,;14.24,7.7,;15.57,5.39,;16.9,6.16,;16.9,7.7,;18.24,8.47,;19.57,7.7,;19.57,6.16,;20.9,5.39,;21.67,4.06,;20.07,4.09,;18.55,4.28,;19.38,2.72,;18.24,5.39,;18.24,3.85,;6.32,4.62,;4.95,4.81,;3.95,3.85,;2.71,2.95,;5.42,3.37,;3.95,5.39,;5.42,5.87,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2CC2)c1=O)C12CC(C1)(C2)C#N
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:23.26,(2.33,-3.85,;.99,-3.08,;-.34,-3.85,;.99,-1.54,;-.34,-.77,;-1.68,-1.54,;-3.01,-.77,;-4.47,-1.25,;-5.38,,;-4.47,1.25,;-3.01,.77,;-1.68,1.54,;-.34,.77,;.99,1.54,;.99,3.08,;2.33,.77,;3.66,1.54,;3.66,3.08,;4.99,3.85,;6.33,3.08,;6.33,1.54,;7.66,.77,;8.43,-.56,;9.2,.77,;10.53,1.54,;4.99,.77,;4.99,-.77,;-6.92,,;-7.82,-1.25,;-9.29,-.77,;-10.53,-1.68,;-8.2,.32,;-9.29,.77,;-7.82,1.25,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:23.26,wD:21.22,(1.46,2.2,;.12,2.97,;-1.21,2.2,;.12,4.51,;-1.21,5.28,;-2.54,4.51,;-3.88,5.28,;-5.34,4.8,;-6.25,6.05,;-5.34,7.3,;-3.88,6.82,;-2.54,7.59,;-1.21,6.82,;.12,7.59,;.12,9.13,;1.46,6.82,;2.79,7.59,;2.79,9.13,;4.12,9.9,;5.46,9.13,;5.46,7.59,;6.79,6.82,;7.56,5.49,;8.33,6.82,;9.67,7.59,;4.12,6.82,;4.12,5.28,;-7.79,6.05,;-8.69,4.8,;-10.16,5.28,;-11.4,4.37,;-9.07,6.37,;-10.16,6.82,;-8.69,7.3,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:21.22,wD:23.26,(1.46,2.2,;.12,2.97,;-1.21,2.2,;.12,4.51,;-1.21,5.28,;-2.54,4.51,;-3.88,5.28,;-5.34,4.8,;-6.25,6.05,;-5.34,7.3,;-3.88,6.82,;-2.54,7.59,;-1.21,6.82,;.12,7.59,;.12,9.13,;1.46,6.82,;2.79,7.59,;2.79,9.13,;4.12,9.9,;5.46,9.13,;5.46,7.59,;6.79,6.82,;7.56,5.49,;8.33,6.82,;9.67,7.59,;4.12,6.82,;4.12,5.28,;-7.79,6.05,;-8.69,4.8,;-10.16,5.28,;-11.4,4.37,;-9.07,6.37,;-10.16,6.82,;-8.69,7.3,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2CC2(F)F)c1=O)C12CC(C)(C1)OC2 |(2.25,-3.85,;.92,-3.08,;-.42,-3.85,;.92,-1.54,;-.42,-.77,;-1.75,-1.54,;-3.09,-.77,;-4.55,-1.25,;-5.46,,;-4.55,1.25,;-3.09,.77,;-1.75,1.54,;-.42,.77,;.92,1.54,;.92,3.08,;2.25,.77,;3.58,1.54,;3.58,3.08,;4.92,3.85,;6.25,3.08,;6.25,1.54,;7.58,.77,;8.35,-.56,;9.12,.77,;9.52,2.26,;10.61,.37,;4.92,.77,;4.92,-.77,;-7,,;-7.9,-1.25,;-9.37,-.77,;-10.61,-1.67,;-8.28,.32,;-9.37,.77,;-7.9,1.25,)|
CC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn([C@@H]4C[C@@H]4F)c3=O)c(OC3CCC3)cc2n1 |r,wU:20.21,22.25,(-10.4,-2.67,;-9.15,-3.57,;-8.16,-4.53,;-6.78,-4.34,;-7.69,-3.1,;-7.69,-5.59,;-9.15,-5.11,;-5.03,-4.34,;-4.13,-3.1,;-2.66,-3.57,;-1.33,-2.8,;0,-3.57,;1.34,-2.8,;1.34,-1.26,;2.67,-3.57,;4.01,-2.8,;4.01,-1.26,;5.34,-.49,;6.67,-1.26,;6.67,-2.8,;8.01,-3.57,;8.78,-4.91,;9.55,-3.57,;10.88,-2.8,;5.34,-3.57,;5.34,-5.11,;0,-5.11,;1.34,-5.88,;1.34,-7.42,;.1,-8.66,;1.34,-9.9,;2.58,-8.66,;-1.33,-5.88,;-2.66,-5.11,;-4.13,-5.59,)|
F[C@H]1C[C@H]1n1cccc(NC(=O)c2cn3cc(nc3nc2OC2CCC2)C23CC(C2)OC3)c1=O |r,wU:3.4,1.0,(10.11,-2.59,;8.78,-3.36,;8.01,-4.7,;7.24,-3.36,;5.91,-2.59,;5.91,-1.05,;4.57,-.28,;3.24,-1.05,;3.24,-2.59,;1.9,-3.36,;.57,-2.59,;.57,-1.05,;-.76,-3.36,;-2.1,-2.59,;-3.43,-3.36,;-4.89,-2.89,;-5.8,-4.13,;-4.89,-5.38,;-3.43,-4.9,;-2.1,-5.67,;-.76,-4.9,;.57,-5.67,;.57,-7.21,;-.67,-8.45,;.57,-9.69,;1.81,-8.45,;-7.34,-4.13,;-8.71,-3.94,;-9.71,-4.9,;-8.25,-5.38,;-9.71,-3.36,;-8.25,-2.89,;4.57,-3.36,;4.57,-4.9,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C1)OC2 |r,wU:21.22,23.26,(-.76,-8,;.57,-7.23,;1.9,-8,;.57,-5.69,;-.76,-4.92,;-2.1,-5.69,;-3.43,-4.92,;-4.89,-5.39,;-5.8,-4.15,;-4.89,-2.9,;-3.43,-3.38,;-2.1,-2.61,;-.76,-3.38,;.57,-2.61,;.57,-1.07,;1.9,-3.38,;3.24,-2.61,;3.24,-1.07,;4.57,-.3,;5.91,-1.07,;5.91,-2.61,;7.24,-3.38,;8.01,-4.71,;8.78,-3.38,;10.11,-2.61,;4.57,-3.38,;4.57,-4.92,;-7.34,-4.15,;-8.71,-3.96,;-9.71,-4.92,;-8.25,-5.39,;-9.71,-3.38,;-8.25,-2.9,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C1)OC2 |r,wU:21.22,23.26,(1.7,1.52,;.37,2.29,;-.96,1.52,;.37,3.83,;-.96,4.6,;-2.3,3.83,;-3.63,4.6,;-5.1,4.13,;-6,5.37,;-5.1,6.62,;-3.63,6.14,;-2.3,6.91,;-.96,6.14,;.37,6.91,;.37,8.45,;1.7,6.14,;3.04,6.91,;3.04,8.45,;4.37,9.22,;5.7,8.45,;5.7,6.91,;7.04,6.14,;7.81,4.81,;8.58,6.14,;9.91,6.91,;4.37,6.14,;4.37,4.6,;-7.54,5.37,;-8.45,4.13,;-9.91,4.6,;-8.82,5.69,;-9.91,6.14,;-8.45,6.62,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O)C12CC(C1)OC2 |r,wD:21.22,23.26,(1.7,1.52,;.37,2.29,;-.96,1.52,;.37,3.83,;-.96,4.6,;-2.3,3.83,;-3.63,4.6,;-5.1,4.13,;-6,5.37,;-5.1,6.62,;-3.63,6.14,;-2.3,6.91,;-.96,6.14,;.37,6.91,;.37,8.45,;1.7,6.14,;3.04,6.91,;3.04,8.45,;4.37,9.22,;5.7,8.45,;5.7,6.91,;7.04,6.14,;7.81,4.81,;8.58,6.14,;9.91,6.91,;4.37,6.14,;4.37,4.6,;-7.54,5.37,;-8.45,4.13,;-9.91,4.6,;-8.82,5.69,;-9.91,6.14,;-8.45,6.62,)|
COCC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn([C@@H]4C[C@@H]4F)c3=O)c(OC(C)C)cc2n1 |r,wU:22.23,24.27,(-11.69,-6.83,;-10.44,-5.93,;-9.04,-6.55,;-7.79,-5.65,;-6.79,-4.69,;-5.42,-4.88,;-6.33,-6.13,;-6.33,-3.63,;-7.79,-4.11,;-3.88,-4.88,;-2.98,-3.63,;-1.51,-4.11,;-.18,-3.34,;1.16,-4.11,;2.49,-3.34,;2.49,-1.8,;3.82,-4.11,;5.16,-3.34,;5.16,-1.8,;6.49,-1.03,;7.82,-1.8,;7.82,-3.34,;9.16,-4.11,;9.93,-5.44,;10.7,-4.11,;12.03,-3.34,;6.49,-4.11,;6.49,-5.65,;1.16,-5.65,;2.49,-6.42,;2.49,-7.96,;1.16,-8.73,;3.82,-8.73,;-.18,-6.42,;-1.51,-5.65,;-2.98,-6.13,)|
CC(C)Oc1c(F)c2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:22.23,24.27,(0,-8.4,;1.34,-7.63,;2.67,-8.4,;1.34,-6.09,;0,-5.32,;-1.33,-6.09,;-1.33,-7.63,;-2.66,-5.32,;-4.13,-5.79,;-5.03,-4.55,;-4.13,-3.3,;-2.66,-3.78,;-1.33,-3.01,;0,-3.78,;1.34,-3.01,;1.34,-1.47,;2.67,-3.78,;4,-3.01,;4,-1.47,;5.34,-.7,;6.67,-1.47,;6.67,-3.01,;8.01,-3.78,;8.78,-5.11,;9.55,-3.78,;10.88,-3.01,;5.34,-3.78,;5.34,-5.32,;-6.78,-4.55,;-8.16,-4.74,;-9.15,-3.78,;-10.4,-2.87,;-7.69,-3.3,;-9.15,-5.32,;-7.69,-5.79,)|
CC(C)Oc1c(F)c2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:22.23,24.27,(2.33,3.91,;.99,4.68,;-.34,3.91,;.99,6.22,;-.34,6.99,;-1.68,6.22,;-1.68,4.68,;-3.01,6.99,;-4.47,6.51,;-5.38,7.76,;-4.47,9,;-3.01,8.53,;-1.68,9.3,;-.34,8.53,;.99,9.3,;.99,10.84,;2.33,8.53,;3.66,9.3,;3.66,10.84,;4.99,11.61,;6.33,10.84,;6.33,9.3,;7.66,8.53,;8.43,7.2,;9.2,8.53,;10.53,9.3,;4.99,8.53,;4.99,6.99,;-6.92,7.76,;-7.82,9,;-9.29,8.53,;-10.53,9.43,;-8.41,7.36,;-9.29,6.99,;-7.82,6.51,)|
CC(C)Oc1c(F)c2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wD:22.23,24.27,(2.33,3.91,;.99,4.68,;-.34,3.91,;.99,6.22,;-.34,6.99,;-1.68,6.22,;-1.68,4.68,;-3.01,6.99,;-4.47,6.51,;-5.38,7.76,;-4.47,9,;-3.01,8.53,;-1.68,9.3,;-.34,8.53,;.99,9.3,;.99,10.84,;2.33,8.53,;3.66,9.3,;3.66,10.84,;4.99,11.61,;6.33,10.84,;6.33,9.3,;7.66,8.53,;8.43,7.2,;9.2,8.53,;10.53,9.3,;4.99,8.53,;4.99,6.99,;-6.92,7.76,;-7.82,9,;-9.29,8.53,;-10.53,9.43,;-8.41,7.36,;-9.29,6.99,;-7.82,6.51,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:21.22,23.26,(0,-8.4,;1.34,-7.63,;2.67,-8.4,;1.34,-6.09,;0,-5.32,;-1.33,-6.09,;-2.66,-5.32,;-4.13,-5.79,;-5.03,-4.55,;-4.13,-3.3,;-2.66,-3.78,;-1.33,-3.01,;0,-3.78,;1.34,-3.01,;1.34,-1.47,;2.67,-3.78,;4,-3.01,;4,-1.47,;5.34,-.7,;6.67,-1.47,;6.67,-3.01,;8.01,-3.78,;8.78,-5.11,;9.55,-3.78,;10.88,-3.01,;5.34,-3.78,;5.34,-5.32,;-6.78,-4.55,;-8.16,-4.74,;-9.15,-3.78,;-10.4,-2.87,;-7.69,-3.3,;-9.15,-5.32,;-7.69,-5.79,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@H]2C)c1=O)C12CC(C)(C1)OC2 |r,wU:21.22,wD:23.26,(.1,-8.16,;1.43,-7.39,;2.77,-8.16,;1.43,-5.85,;.1,-5.08,;-1.23,-5.85,;-2.57,-5.08,;-4.03,-5.56,;-4.94,-4.31,;-4.03,-3.07,;-2.57,-3.54,;-1.23,-2.77,;.1,-3.54,;1.43,-2.77,;1.43,-1.23,;2.77,-3.54,;4.1,-2.77,;4.1,-1.23,;5.43,-.46,;6.77,-1.23,;6.77,-2.77,;8.1,-3.54,;8.87,-4.88,;9.64,-3.54,;10.97,-2.77,;5.43,-3.54,;5.43,-5.08,;-6.48,-4.31,;-7.85,-4.12,;-8.85,-5.08,;-10.09,-5.99,;-7.38,-5.56,;-8.85,-3.54,;-7.38,-3.07,)|
CC[C@H](C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:22.23,24.27,wD:2.2,(3.91,-7.42,;2.58,-8.19,;1.25,-7.42,;-.09,-8.19,;1.25,-5.88,;-.09,-5.11,;-1.42,-5.88,;-2.76,-5.11,;-4.22,-5.59,;-5.13,-4.34,;-4.22,-3.1,;-2.76,-3.57,;-1.42,-2.8,;-.09,-3.57,;1.25,-2.8,;1.25,-1.26,;2.58,-3.57,;3.91,-2.8,;3.91,-1.26,;5.25,-.49,;6.58,-1.26,;6.58,-2.8,;7.91,-3.57,;8.68,-4.9,;9.45,-3.57,;10.54,-2.48,;5.25,-3.57,;5.25,-5.11,;-6.67,-4.34,;-8.04,-4.15,;-9.04,-5.11,;-10.28,-6.02,;-7.57,-5.59,;-9.04,-3.57,;-7.57,-3.1,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:21.22,23.26,(-.22,-8.19,;1.11,-7.42,;2.45,-8.19,;1.11,-5.88,;-.22,-5.11,;-1.55,-5.88,;-2.89,-5.11,;-4.35,-5.59,;-5.26,-4.34,;-4.35,-3.1,;-2.89,-3.57,;-1.55,-2.8,;-.22,-3.57,;1.11,-2.8,;1.11,-1.26,;2.45,-3.57,;3.78,-2.8,;3.78,-1.26,;5.12,-.49,;6.45,-1.26,;6.45,-2.8,;7.78,-3.57,;8.55,-4.9,;9.32,-3.57,;10.41,-2.48,;5.12,-3.57,;5.12,-5.11,;-6.8,-4.34,;-8.17,-4.15,;-9.17,-5.11,;-10.41,-6.02,;-7.7,-5.59,;-9.17,-3.57,;-7.7,-3.1,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2C[C@H]2C)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2C[C@@H]2F)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2C[C@@H]2F)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2C[C@@H]2F)c1=O)C12CCC(C)(C1)OC2 |r|
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CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2C)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC[C@@H]1C[C@H]1n1cccc(NC(=O)c2cn3cc(nc3nc2OC(C)C)C23CC(C)(C2)OC3)c1=O |r,wU:4.5,wD:2.1,(11.39,-6.36,;10.05,-5.59,;8.72,-6.36,;7.95,-7.69,;7.18,-6.36,;5.85,-5.59,;5.85,-4.05,;4.51,-3.28,;3.18,-4.05,;3.18,-5.59,;1.84,-6.36,;.51,-5.59,;.51,-4.05,;-.82,-6.36,;-2.16,-5.59,;-3.49,-6.36,;-4.95,-5.88,;-5.86,-7.13,;-4.95,-8.38,;-3.49,-7.9,;-2.16,-8.67,;-.82,-7.9,;.51,-8.67,;.51,-10.21,;-.82,-10.98,;1.84,-10.98,;-7.4,-7.13,;-8.3,-8.38,;-9.72,-7.89,;-10.96,-8.81,;-8.89,-6.73,;-9.77,-6.36,;-8.3,-5.88,;4.51,-6.36,;4.51,-7.9,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C2C[C@]2(C)C(F)F)c1=O)C12CC(C)(C1)OC2 |r,wU:23.27,wD:23.26,(-.73,-11.09,;.6,-10.32,;1.93,-11.09,;.6,-8.78,;-.73,-8.01,;-2.07,-8.78,;-3.4,-8.01,;-4.87,-8.49,;-5.77,-7.24,;-4.87,-5.99,;-3.4,-6.47,;-2.07,-5.7,;-.73,-6.47,;.6,-5.7,;.6,-4.16,;1.93,-6.47,;3.27,-5.7,;3.27,-4.16,;4.6,-3.39,;5.93,-4.16,;5.93,-5.7,;7.27,-6.47,;8.04,-7.8,;8.81,-6.47,;10.14,-5.7,;9.76,-7.68,;11.28,-7.46,;9.19,-9.11,;4.6,-6.47,;4.6,-8.01,;-7.31,-7.24,;-8.22,-8.49,;-9.63,-8,;-10.87,-8.92,;-8.8,-6.84,;-9.68,-6.47,;-8.22,-5.99,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@@]2(C)C(F)F)c1=O)C12CC(C)(C1)OC2 |r,wU:23.26,wD:21.22,23.27,(-.73,-11.09,;.6,-10.32,;1.93,-11.09,;.6,-8.78,;-.73,-8.01,;-2.07,-8.78,;-3.4,-8.01,;-4.87,-8.49,;-5.77,-7.24,;-4.87,-5.99,;-3.4,-6.47,;-2.07,-5.7,;-.73,-6.47,;.6,-5.7,;.6,-4.16,;1.93,-6.47,;3.27,-5.7,;3.27,-4.16,;4.6,-3.39,;5.93,-4.16,;5.93,-5.7,;7.27,-6.47,;8.04,-7.8,;8.81,-6.47,;10.14,-5.7,;9.76,-7.68,;11.28,-7.46,;9.19,-9.11,;4.6,-6.47,;4.6,-8.01,;-7.31,-7.24,;-8.22,-8.49,;-9.63,-8,;-10.87,-8.92,;-8.8,-6.84,;-9.68,-6.47,;-8.22,-5.99,)|
CC(C)Oc1c(F)c2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@H]2C)c1=O)C12CC(C)(C1)OC2 |r,wU:22.23,wD:24.27,(11.28,.7,;9.95,1.47,;8.61,.7,;9.95,3.01,;8.61,3.78,;7.28,3.01,;7.28,1.47,;5.95,3.78,;4.48,3.3,;3.58,4.55,;4.48,5.79,;5.95,5.32,;7.28,6.09,;8.61,5.32,;9.95,6.09,;9.95,7.63,;11.28,5.32,;13.1,6.09,;13.1,7.63,;14.44,8.4,;15.77,7.63,;15.77,6.09,;17.1,5.32,;17.87,3.98,;18.64,5.32,;19.98,6.09,;14.44,5.32,;14.44,3.78,;2.04,4.55,;1.13,3.3,;-.33,3.78,;-1.67,3.01,;.5,4.55,;-.33,5.32,;1.13,5.79,)|
CC(C)Oc1c(F)c2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2C)c1=O)C12CC(C)(C1)OC2 |r,wU:24.27,wD:22.23,(11.28,.7,;9.95,1.47,;8.61,.7,;9.95,3.01,;8.61,3.78,;7.28,3.01,;7.28,1.47,;5.95,3.78,;4.48,3.3,;3.58,4.55,;4.48,5.79,;5.95,5.32,;7.28,6.09,;8.61,5.32,;9.95,6.09,;9.95,7.63,;11.28,5.32,;13.1,6.09,;13.1,7.63,;14.44,8.4,;15.77,7.63,;15.77,6.09,;17.1,5.32,;17.87,3.98,;18.64,5.32,;19.98,6.09,;14.44,5.32,;14.44,3.78,;2.04,4.55,;1.13,3.3,;-.33,3.78,;-1.67,3.01,;.5,4.55,;-.33,5.32,;1.13,5.79,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@H]2C)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2C)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2CC22CC2)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2CC22CC2)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2CC22CC2)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2CC22CC2)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:21.22,wD:23.26,(11.22,.7,;9.88,1.47,;8.55,.7,;9.88,3.01,;8.55,3.78,;7.22,3.01,;5.88,3.78,;4.42,3.3,;3.51,4.55,;4.42,5.79,;5.88,5.32,;7.22,6.09,;8.55,5.32,;9.88,6.09,;9.88,7.63,;11.22,5.32,;13.04,6.09,;13.04,7.63,;14.37,8.4,;15.7,7.63,;15.7,6.09,;17.04,5.32,;17.81,3.98,;18.58,5.32,;19.91,6.09,;14.37,5.32,;14.37,3.78,;1.97,4.55,;1.07,3.3,;-.4,3.78,;-1.73,3.01,;.43,4.55,;-.4,5.32,;1.07,5.79,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:23.26,wD:21.22,(11.22,.7,;9.88,1.47,;8.55,.7,;9.88,3.01,;8.55,3.78,;7.22,3.01,;5.88,3.78,;4.42,3.3,;3.51,4.55,;4.42,5.79,;5.88,5.32,;7.22,6.09,;8.55,5.32,;9.88,6.09,;9.88,7.63,;11.22,5.32,;13.04,6.09,;13.04,7.63,;14.37,8.4,;15.7,7.63,;15.7,6.09,;17.04,5.32,;17.81,3.98,;18.58,5.32,;19.91,6.09,;14.37,5.32,;14.37,3.78,;1.97,4.55,;1.07,3.3,;-.4,3.78,;-1.73,3.01,;.43,4.55,;-.4,5.32,;1.07,5.79,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@H]2C)c1=O)C12CC(C)(C1)OC2 |r,wU:21.22,wD:23.26,(8.97,.7,;10.3,1.47,;11.63,.7,;10.3,3.01,;8.97,3.78,;7.63,3.01,;6.3,3.78,;4.83,3.3,;3.93,4.55,;4.83,5.79,;6.3,5.32,;7.63,6.09,;8.97,5.32,;10.3,6.09,;10.3,7.63,;11.63,5.32,;13.45,6.09,;13.45,7.63,;14.79,8.4,;16.12,7.63,;16.12,6.09,;17.46,5.32,;18.23,3.98,;19,5.32,;20.33,6.09,;14.79,5.32,;14.79,3.78,;2.39,4.55,;1.48,5.79,;-.18,5.5,;-1.42,6.43,;.85,4.55,;.02,3.78,;1.48,3.3,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2C)c1=O)C12CC(C)(C1)OC2 |r,wU:23.26,wD:21.22,(8.97,.7,;10.3,1.47,;11.63,.7,;10.3,3.01,;8.97,3.78,;7.63,3.01,;6.3,3.78,;4.83,3.3,;3.93,4.55,;4.83,5.79,;6.3,5.32,;7.63,6.09,;8.97,5.32,;10.3,6.09,;10.3,7.63,;11.63,5.32,;13.45,6.09,;13.45,7.63,;14.79,8.4,;16.12,7.63,;16.12,6.09,;17.46,5.32,;18.23,3.98,;19,5.32,;20.33,6.09,;14.79,5.32,;14.79,3.78,;2.39,4.55,;1.48,5.79,;-.18,5.5,;-1.42,6.43,;.85,4.55,;.02,3.78,;1.48,3.3,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:21.22,23.26,(8.88,.7,;10.21,1.47,;11.55,.7,;10.21,3.01,;8.88,3.78,;7.55,3.01,;6.21,3.78,;4.75,3.3,;3.84,4.55,;4.75,5.79,;6.21,5.32,;7.55,6.09,;8.88,5.32,;10.21,6.09,;10.21,7.63,;11.55,5.32,;13.37,6.09,;13.37,7.63,;14.7,8.4,;16.03,7.63,;16.03,6.09,;17.37,5.32,;18.14,3.98,;18.91,5.32,;20.24,6.09,;14.7,5.32,;14.7,3.78,;2.3,4.55,;1.4,5.79,;-.27,5.5,;-1.51,6.43,;.76,4.55,;-.07,3.78,;1.4,3.3,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wD:21.22,23.26,(8.88,.7,;10.21,1.47,;11.55,.7,;10.21,3.01,;8.88,3.78,;7.55,3.01,;6.21,3.78,;4.75,3.3,;3.84,4.55,;4.75,5.79,;6.21,5.32,;7.55,6.09,;8.88,5.32,;10.21,6.09,;10.21,7.63,;11.55,5.32,;13.37,6.09,;13.37,7.63,;14.7,8.4,;16.03,7.63,;16.03,6.09,;17.37,5.32,;18.14,3.98,;18.91,5.32,;20.24,6.09,;14.7,5.32,;14.7,3.78,;2.3,4.55,;1.4,5.79,;-.27,5.5,;-1.51,6.43,;.76,4.55,;-.07,3.78,;1.4,3.3,)|
CC[C@H](C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:22.23,24.27,wD:2.2,(11.52,-.07,;11.52,1.47,;10.19,2.24,;8.86,1.47,;10.19,3.78,;8.86,4.55,;7.52,3.78,;6.19,4.55,;4.72,4.07,;3.82,5.32,;4.72,6.56,;6.19,6.09,;7.52,6.86,;8.86,6.09,;10.19,6.86,;10.19,8.4,;11.52,6.09,;13.34,6.86,;13.34,8.4,;14.68,9.17,;16.01,8.4,;16.01,6.86,;17.35,6.09,;18.12,4.75,;18.89,6.09,;20.22,6.86,;14.68,6.09,;14.68,4.55,;2.28,5.32,;1.37,6.56,;-.29,6.27,;-1.53,7.2,;.74,5.32,;-.09,4.55,;1.37,4.07,)|
CC[C@H](C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wD:22.23,24.27,2.2,(11.52,-.07,;11.52,1.47,;10.19,2.24,;8.86,1.47,;10.19,3.78,;8.86,4.55,;7.52,3.78,;6.19,4.55,;4.72,4.07,;3.82,5.32,;4.72,6.56,;6.19,6.09,;7.52,6.86,;8.86,6.09,;10.19,6.86,;10.19,8.4,;11.52,6.09,;13.34,6.86,;13.34,8.4,;14.68,9.17,;16.01,8.4,;16.01,6.86,;17.35,6.09,;18.12,4.75,;18.89,6.09,;20.22,6.86,;14.68,6.09,;14.68,4.55,;2.28,5.32,;1.37,6.56,;-.29,6.27,;-1.53,7.2,;.74,5.32,;-.09,4.55,;1.37,4.07,)|
COCC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn([C@@H]4C[C@@H]4F)c3=O)c(OC(C)C)nc2n1 |r,wU:22.23,24.27,(.35,8.4,;1.68,7.63,;1.68,6.09,;3.01,5.32,;4.48,5.79,;5.38,4.55,;3.84,4.55,;4.48,3.3,;3.01,3.78,;6.92,4.55,;7.83,5.79,;9.29,5.32,;10.63,6.09,;11.96,5.32,;13.29,6.09,;13.29,7.63,;14.63,5.32,;16.45,6.09,;16.45,7.63,;17.78,8.4,;19.12,7.63,;19.12,6.09,;20.45,5.32,;21.22,3.98,;21.99,5.32,;23.32,6.09,;17.78,5.32,;17.78,3.78,;11.96,3.78,;13.29,3.01,;13.29,1.47,;11.96,.7,;14.63,.7,;10.63,3.01,;9.29,3.78,;7.83,3.3,)|
COCC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn([C@H]4C[C@H]4F)c3=O)c(OC(C)C)nc2n1 |r,wD:22.23,24.27,(.35,8.4,;1.68,7.63,;1.68,6.09,;3.02,5.32,;4.48,5.79,;5.38,4.55,;3.84,4.55,;4.48,3.3,;3.02,3.78,;6.92,4.55,;7.83,5.79,;9.29,5.32,;10.63,6.09,;11.96,5.32,;13.3,6.09,;13.3,7.63,;14.63,5.32,;16.45,6.09,;16.45,7.63,;17.78,8.4,;19.12,7.63,;19.12,6.09,;20.45,5.32,;21.22,3.98,;21.99,5.32,;23.32,6.09,;17.78,5.32,;17.78,3.78,;11.96,3.78,;13.3,3.01,;13.3,1.47,;11.96,.7,;14.63,.7,;10.63,3.01,;9.29,3.78,;7.83,3.3,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wU:21.22,23.26,(9.19,.7,;10.52,1.47,;11.85,.7,;10.52,3.01,;9.19,3.78,;7.85,3.01,;6.52,3.78,;5.05,3.3,;4.15,4.55,;5.05,5.79,;6.52,5.32,;7.85,6.09,;9.19,5.32,;10.52,6.09,;10.52,7.63,;11.85,5.32,;13.67,6.09,;13.67,7.63,;15.01,8.4,;16.34,7.63,;16.34,6.09,;17.68,5.32,;18.45,3.98,;19.22,5.32,;20.55,6.09,;15.01,5.32,;15.01,3.78,;2.61,4.55,;1.7,5.79,;.04,5.5,;-1.2,6.43,;1.07,4.55,;.24,3.78,;1.7,3.3,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O)C12CC(C)(C1)OC2 |r,wD:21.22,23.26,(9.19,.7,;10.52,1.47,;11.85,.7,;10.52,3.01,;9.19,3.78,;7.85,3.01,;6.52,3.78,;5.05,3.3,;4.15,4.55,;5.05,5.79,;6.52,5.32,;7.85,6.09,;9.19,5.32,;10.52,6.09,;10.52,7.63,;11.85,5.32,;13.67,6.09,;13.67,7.63,;15.01,8.4,;16.34,7.63,;16.34,6.09,;17.68,5.32,;18.45,3.98,;19.22,5.32,;20.55,6.09,;15.01,5.32,;15.01,3.78,;2.61,4.55,;1.7,5.79,;.04,5.5,;-1.2,6.43,;1.07,4.55,;.24,3.78,;1.7,3.3,)|
F[C@H]1C[C@H]1n1cccc(NC(=O)c2cn3cc(nc3nc2OC2CCC2)C23CC(C2)OC3)c1=O |r,wU:3.4,1.0,(19.66,6.79,;18.33,6.02,;17.56,4.69,;16.79,6.02,;15.46,6.79,;15.46,8.33,;14.12,9.1,;12.79,8.33,;12.79,6.79,;10.97,6.02,;9.63,6.79,;9.63,8.33,;8.3,6.02,;6.97,6.79,;5.63,6.02,;4.17,6.5,;3.26,5.25,;4.17,4.01,;5.63,4.48,;6.97,3.71,;8.3,4.48,;9.63,3.71,;9.63,2.17,;8.54,1.08,;9.63,-.01,;10.72,1.08,;1.72,5.25,;.82,6.5,;-.65,6.02,;.18,5.25,;-.65,4.48,;.82,4.01,;14.12,6.02,;14.12,4.48,)|
F[C@@H]1C[C@@H]1n1cccc(NC(=O)c2cn3cc(nc3nc2OC2CCC2)C23CC(C2)OC3)c1=O |r,wD:3.4,1.0,(19.66,6.79,;18.33,6.02,;17.56,4.69,;16.79,6.02,;15.46,6.79,;15.46,8.33,;14.12,9.1,;12.79,8.33,;12.79,6.79,;10.97,6.02,;9.63,6.79,;9.63,8.33,;8.3,6.02,;6.97,6.79,;5.63,6.02,;4.17,6.5,;3.26,5.25,;4.17,4.01,;5.63,4.48,;6.97,3.71,;8.3,4.48,;9.63,3.71,;9.63,2.17,;8.54,1.08,;9.63,-.01,;10.72,1.08,;1.72,5.25,;.82,6.5,;-.65,6.02,;.18,5.25,;-.65,4.48,;.82,4.01,;14.12,6.02,;14.12,4.48,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2C[C@H]2F)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn([C@@H]4C[C@@H]4F)c3=O)c(OC3CCC3)cc2n1 |r,wU:20.21,22.25,(-10.59,2.46,;-9.35,1.55,;-7.82,1.95,;-6.92,.7,;-8.41,.31,;-7.82,-.54,;-9.29,-.07,;-5.38,.7,;-4.47,1.95,;-3.01,1.47,;-1.68,2.24,;-.34,1.47,;.99,2.24,;.99,3.78,;2.33,1.47,;3.66,2.24,;3.66,3.78,;4.99,4.55,;6.33,3.78,;6.33,2.24,;7.66,1.47,;8.43,.14,;9.2,1.47,;10.53,2.24,;4.99,1.47,;4.99,-.07,;-.34,-.07,;.99,-.84,;.99,-2.38,;-.1,-3.47,;.99,-4.55,;2.08,-3.47,;-1.68,-.84,;-3.01,-.07,;-4.47,-.54,)|
CC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn([C@H]4C[C@H]4F)c3=O)c(OC3CCC3)cc2n1 |r,wD:20.21,22.25,(-10.59,2.46,;-9.35,1.55,;-7.82,1.95,;-6.92,.7,;-8.41,.31,;-7.82,-.54,;-9.29,-.07,;-5.38,.7,;-4.47,1.95,;-3.01,1.47,;-1.68,2.24,;-.34,1.47,;.99,2.24,;.99,3.78,;2.33,1.47,;3.66,2.24,;3.66,3.78,;4.99,4.55,;6.33,3.78,;6.33,2.24,;7.66,1.47,;8.43,.14,;9.2,1.47,;10.53,2.24,;4.99,1.47,;4.99,-.07,;-.34,-.07,;.99,-.84,;.99,-2.38,;-.1,-3.47,;.99,-4.55,;2.08,-3.47,;-1.68,-.84,;-3.01,-.07,;-4.47,-.54,)|
CC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn([C@@H]4C[C@@H]4F)c3=O)c(OC3CC3)cc2n1 |r,wU:20.21,22.25,(-10.59,2.04,;-9.35,1.12,;-7.82,1.53,;-6.92,.28,;-8.41,-.12,;-7.82,-.96,;-9.29,-.49,;-5.38,.28,;-4.47,1.53,;-3.01,1.05,;-1.68,1.82,;-.34,1.05,;.99,1.82,;.99,3.36,;2.33,1.05,;3.66,1.82,;3.66,3.36,;4.99,4.13,;6.33,3.36,;6.33,1.82,;7.66,1.05,;8.43,-.28,;9.2,1.05,;10.53,1.82,;4.99,1.05,;4.99,-.49,;-.34,-.49,;.99,-1.26,;.99,-2.8,;.22,-4.13,;1.76,-4.13,;-1.68,-1.26,;-3.01,-.49,;-4.47,-.96,)|
CC12CC(C1)(CO2)c1cn2cc(C(=O)Nc3cccn(C4C[C@H]4F)c3=O)c(OC3CC3)cc2n1 |r,wD:22.25,(-10.59,2.04,;-9.35,1.12,;-7.82,1.53,;-6.92,.28,;-8.41,-.12,;-7.82,-.96,;-9.29,-.49,;-5.38,.28,;-4.47,1.53,;-3.01,1.05,;-1.68,1.82,;-.34,1.05,;.99,1.82,;.99,3.36,;2.33,1.05,;3.66,1.82,;3.66,3.36,;4.99,4.13,;6.33,3.36,;6.33,1.82,;7.66,1.05,;8.43,-.28,;9.2,1.05,;10.53,1.82,;4.99,1.05,;4.99,-.49,;-.34,-.49,;.99,-1.26,;.99,-2.8,;.22,-4.13,;1.76,-4.13,;-1.68,-1.26,;-3.01,-.49,;-4.47,-.96,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2C)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2C)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2C)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2C)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
C[C@H](Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2C[C@H]2F)c1=O)C12CC(C)(C1)OC2)C(F)F |r,wD:22.25,1.0,(-.34,-3.08,;.99,-2.31,;.99,-.77,;-.34,,;-1.68,-.77,;-3.01,,;-4.47,-.48,;-5.38,.77,;-4.47,2.02,;-3.01,1.54,;-1.68,2.31,;-.34,1.54,;.99,2.31,;.99,3.85,;2.33,1.54,;3.66,2.31,;3.66,3.85,;4.99,4.62,;6.33,3.85,;6.33,2.31,;7.66,1.54,;8.43,.21,;9.2,1.54,;10.53,2.31,;4.99,1.54,;4.99,,;-6.92,.77,;-7.82,2.02,;-9.29,1.54,;-10.53,2.45,;-8.41,.37,;-9.29,,;-7.82,-.48,;2.33,-3.08,;3.66,-2.31,;2.33,-4.62,)|
C[C@@H](Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C2C[C@H]2F)c1=O)C12CC(C)(C1)OC2)C(F)F |r,wU:1.0,wD:22.25,(-.34,-3.08,;.99,-2.31,;.99,-.77,;-.34,,;-1.68,-.77,;-3.01,,;-4.47,-.48,;-5.38,.77,;-4.47,2.02,;-3.01,1.54,;-1.68,2.31,;-.34,1.54,;.99,2.31,;.99,3.85,;2.33,1.54,;3.66,2.31,;3.66,3.85,;4.99,4.62,;6.33,3.85,;6.33,2.31,;7.66,1.54,;8.43,.21,;9.2,1.54,;10.53,2.31,;4.99,1.54,;4.99,,;-6.92,.77,;-7.82,2.02,;-9.29,1.54,;-10.53,2.45,;-8.41,.37,;-9.29,,;-7.82,-.48,;2.33,-3.08,;3.66,-2.31,;2.33,-4.62,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2C)c1=O)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2C)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
C[C@@H]1C[C@@H]1n1cccc(NC(=O)c2cn3cc(nc3nc2OC2CCC2)C23CC(C)(C2)OC3)c1=O |r,wD:3.4,1.0,(10.53,2.48,;9.2,1.71,;8.43,.38,;7.66,1.71,;6.33,2.48,;6.33,4.02,;4.99,4.79,;3.66,4.02,;3.66,2.48,;2.33,1.71,;.99,2.48,;.99,4.02,;-.34,1.71,;-1.68,2.48,;-3.01,1.71,;-4.47,2.18,;-5.38,.94,;-4.47,-.31,;-3.01,.17,;-1.68,-.6,;-.34,.17,;.99,-.6,;.99,-2.14,;-.1,-3.23,;.99,-4.32,;2.08,-3.23,;-6.92,.94,;-7.82,-.31,;-9.29,.17,;-10.53,-.74,;-8.41,1.34,;-9.29,1.71,;-7.82,2.18,;4.99,1.71,;4.99,.17,)|
C[C@H]1C[C@H]1n1cccc(NC(=O)c2cn3cc(nc3nc2OC2CCC2)C23CC(C)(C2)OC3)c1=O |r,wU:3.4,1.0,(10.53,2.48,;9.2,1.71,;8.43,.38,;7.66,1.71,;6.33,2.48,;6.33,4.02,;4.99,4.79,;3.66,4.02,;3.66,2.48,;2.33,1.71,;.99,2.48,;.99,4.02,;-.34,1.71,;-1.68,2.48,;-3.01,1.71,;-4.47,2.18,;-5.38,.94,;-4.47,-.31,;-3.01,.17,;-1.68,-.6,;-.34,.17,;.99,-.6,;.99,-2.14,;-.1,-3.23,;.99,-4.32,;2.08,-3.23,;-6.92,.94,;-7.82,-.31,;-9.29,.17,;-10.53,-.74,;-8.41,1.34,;-9.29,1.71,;-7.82,2.18,;4.99,1.71,;4.99,.17,)|
C[C@@H]1C[C@@H]1n1cccc(NC(=O)c2cn3cc(nc3cc2OC2CCC2)C23CC(C)(C2)OC3)c1=O |r,wD:3.4,1.0,(10.53,2.33,;9.2,1.56,;8.43,.23,;7.66,1.56,;6.33,2.33,;6.33,3.87,;4.99,4.64,;3.66,3.87,;3.66,2.33,;2.33,1.56,;.99,2.33,;.99,3.87,;-.34,1.56,;-1.68,2.33,;-3.01,1.56,;-4.47,2.04,;-5.38,.79,;-4.47,-.45,;-3.01,.02,;-1.68,-.75,;-.34,.02,;.99,-.75,;.99,-2.29,;-.1,-3.37,;.99,-4.46,;2.08,-3.37,;-6.92,.79,;-7.82,-.45,;-9.29,.02,;-10.53,-.88,;-8.41,1.19,;-9.29,1.56,;-7.82,2.04,;4.99,1.56,;4.99,.02,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@@H]2C[C@H]2C)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2C)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccc(n1)C(F)F)C12CC(C)(C1)OC2 |(3.1,-3.85,;1.76,-3.08,;.43,-3.85,;1.76,-1.54,;.43,-.77,;-.91,-1.54,;-2.24,-.77,;-3.7,-1.25,;-4.61,,;-3.7,1.25,;-2.24,.77,;-.91,1.54,;.43,.77,;1.76,1.54,;1.76,3.08,;3.1,.77,;4.43,1.54,;4.43,3.08,;5.76,3.85,;7.1,3.08,;7.1,1.54,;5.76,.77,;8.43,.77,;9.76,1.54,;8.43,-.77,;-6.15,,;-7.05,-1.25,;-8.52,-.77,;-9.76,-1.68,;-7.69,,;-8.52,.77,;-7.05,1.25,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccc(n1)C(F)F)C12CC(C)(C1)OC2 |(3.1,-3.85,;1.76,-3.08,;.43,-3.85,;1.76,-1.54,;.43,-.77,;-.91,-1.54,;-2.24,-.77,;-3.7,-1.25,;-4.61,,;-3.7,1.25,;-2.24,.77,;-.91,1.54,;.43,.77,;1.76,1.54,;1.76,3.08,;3.1,.77,;4.43,1.54,;4.43,3.08,;5.76,3.85,;7.1,3.08,;7.1,1.54,;5.76,.77,;8.43,.77,;9.76,1.54,;8.43,-.77,;-6.15,,;-7.05,1.25,;-8.52,.77,;-9.76,1.68,;-7.69,,;-8.52,-.77,;-7.05,-1.25,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1ccn(C)n1)C12CC(C)(C1)CO2 |(1.15,-3.51,;2.48,-2.74,;3.82,-3.51,;2.48,-1.2,;1.15,-.43,;-.18,-1.2,;-1.52,-.43,;-2.98,-.9,;-3.89,.34,;-2.98,1.59,;-1.52,1.11,;-.18,1.88,;1.15,1.11,;2.48,1.88,;2.48,3.42,;3.78,1.05,;5.15,1.74,;5.39,3.27,;6.91,3.51,;7.61,2.13,;9.13,1.89,;6.52,1.05,;-5.43,.34,;-6.33,1.59,;-7.8,1.11,;-9.13,1.88,;-6.8,.34,;-7.8,-.43,;-6.33,-.9,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1ccn(C)n1)C12CC(C)(C1)CO2 |(1.15,-3.51,;2.48,-2.74,;3.82,-3.51,;2.48,-1.2,;1.15,-.43,;-.18,-1.2,;-1.52,-.43,;-2.98,-.9,;-3.89,.34,;-2.98,1.59,;-1.52,1.11,;-.18,1.88,;1.15,1.11,;2.48,1.88,;2.48,3.42,;3.78,1.05,;5.15,1.74,;5.39,3.27,;6.91,3.51,;7.61,2.13,;9.13,1.89,;6.52,1.05,;-5.43,.34,;-6.33,1.59,;-7.8,1.11,;-9.13,1.88,;-6.8,.34,;-7.8,-.43,;-6.33,-.9,)|
Cc1cnc2c(cnn2c1)NC(=O)c3cn4cc(nc4nc3OC(C)C)C56CC(C5)(OC6)C
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cnn2cc(C)cnc12)C12CC(C)(C1)OC2 |(2.8,-3.62,;1.47,-2.85,;.13,-3.62,;1.47,-1.31,;.13,-.54,;-1.2,-1.31,;-2.53,-.54,;-4,-1.02,;-4.9,.23,;-4,1.48,;-2.53,1,;-1.2,1.77,;.13,1,;1.47,1.77,;1.47,3.31,;2.8,1,;4.13,1.77,;4.3,3.3,;5.8,3.62,;6.57,2.29,;8.08,1.97,;8.55,.5,;10.06,.18,;7.52,-.64,;6.02,-.32,;5.54,1.14,;-6.44,.23,;-7.35,-1.02,;-8.81,-.54,;-10.06,-1.45,;-7.93,.63,;-8.81,1,;-7.35,1.48,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccc(n1)C(F)F)[C@]12CC[C@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccc(n1)C(F)F)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1ccn(C)n1)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1ccn(C)n1)C12CCC(C)(CC1)OC2
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cnn2cc(C)cnc12)C12CCC(C)(CC1)OC2
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccc(n1)C(F)F)C12CCC(C)(CC1)OC2
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1ccn(C)n1)C12CCC(C)(CC1)OC2
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cnn2cc(C)cnc12)C12CCC(C)(CC1)OC2
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C)c1=O)C12CCC(C)(CC1)OC2 |(1.6,-3.85,;2.93,-3.08,;4.26,-3.85,;2.93,-1.54,;1.6,-.77,;.26,-1.54,;-1.07,-.77,;-2.53,-1.25,;-3.44,,;-2.53,1.25,;-1.07,.77,;.26,1.54,;1.6,.77,;2.93,1.54,;2.93,3.08,;4.26,.77,;5.6,1.54,;5.6,3.08,;6.93,3.85,;8.27,3.08,;8.27,1.54,;9.6,.77,;6.93,.77,;6.93,-.77,;-4.98,,;-5.75,-1.33,;-7.29,-1.33,;-8.06,,;-9.6,,;-6.65,-.41,;-6.52,.41,;-7.29,1.33,;-5.75,1.33,)|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C)c1=O)C12CC(C)(C1)OC2 |(1.1,-3.85,;2.43,-3.08,;3.76,-3.85,;2.43,-1.54,;1.1,-.77,;-.24,-1.54,;-1.57,-.77,;-3.04,-1.25,;-3.94,,;-3.04,1.25,;-1.57,.77,;-.24,1.54,;1.1,.77,;2.43,1.54,;2.43,3.08,;3.76,.77,;5.1,1.54,;5.1,3.08,;6.43,3.85,;7.76,3.08,;7.76,1.54,;9.1,.77,;6.43,.77,;6.43,-.77,;-5.48,,;-6.39,-1.25,;-7.85,-.77,;-9.1,-1.68,;-6.76,.32,;-7.85,.77,;-6.39,1.25,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cnn2cc(C)cnc12)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1ccn(C)n1)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C)c1=O)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1nc2nc(cn2cc1C(=O)Nc1cccn(C)c1=O)C12CCC(C)(CC1)OC2 |(1.6,-3.85,;2.93,-3.08,;4.26,-3.85,;2.93,-1.54,;1.6,-.77,;.26,-1.54,;-1.07,-.77,;-2.53,-1.25,;-3.44,,;-2.53,1.25,;-1.07,.77,;.26,1.54,;1.6,.77,;2.93,1.54,;2.93,3.08,;4.26,.77,;5.6,1.54,;5.6,3.08,;6.93,3.85,;8.27,3.08,;8.27,1.54,;9.6,.77,;6.93,.77,;6.93,-.77,;-4.98,,;-5.75,-1.33,;-7.29,-1.33,;-8.06,,;-9.6,,;-6.65,-.41,;-6.52,.41,;-7.29,1.33,;-5.75,1.33,)|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cnn2cc(C)cnc12)[C@@]12CC[C@@](C)(C1)OC2 |r|
CC(C)Oc1cc2nc(cn2cc1C(=O)Nc1cccn(C)c1=O)C12CC(C)(C1)OC2 |(4.5,-9.27,;3.17,-8.5,;1.83,-9.27,;3.17,-6.96,;1.83,-6.19,;.5,-6.96,;-.84,-6.19,;-2.3,-6.67,;-3.21,-5.42,;-2.3,-4.18,;-.84,-4.65,;.5,-3.88,;1.83,-4.65,;3.17,-3.88,;3.17,-2.34,;4.5,-4.65,;6.32,-3.88,;6.32,-2.34,;7.65,-1.57,;8.99,-2.34,;8.99,-3.88,;10.32,-4.65,;7.65,-4.65,;7.65,-6.19,;-4.75,-5.42,;-5.65,-6.67,;-7.12,-6.19,;-8.45,-6.96,;-6.29,-5.42,;-7.12,-4.65,;-5.65,-4.18,)|
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)F)c2)c(n1)C(F)F
OCC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)F)c2)c(n1)C(F)F
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c(n1)C(F)F
OCC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c(n1)C(F)F
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(c2)C(F)F)c(n1)C(F)F
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(n1)C(F)F
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cn(nc1C(F)F)C1CN(C1)C1CCN(CC1)C(C)=O
CC(C)n1cc(cn1)-c1cccc(n1)C(=O)Nc1cn(nc1C(F)F)C1CN(C1)C1CCN(CC1)C(C)=O
Ic1cnn(CC#N)c1
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(c2)C2(CCC2)C#N)c(n1)C(F)F
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(c2)C2(CN)CCC2)c(n1)C(F)F
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(c2)C(C)(C)C#N)c(n1)C(F)F
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(c2)C(C)(C)CN)c(n1)C(F)F
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(c2)C2(CO)CCC2)c(n1)C(F)F
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(C)(C)O)c2)c(n1)C(F)F
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(c2)C(C)(C)CO)c(n1)C(F)F
CN(C)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(c2)C(C)(C)CN)c(n1)C(F)F
COC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(c2)C(C)(C)CN)c(n1)C(F)F
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cn[nH]c2)c(n1)C(F)F
CN(C)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cn[nH]c2)c(n1)C(F)F
COC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cn[nH]c2)c(n1)C(F)F
FC(F)c1nn(cc1NC(=O)c1cccc(n1)-c1cn[nH]c1)C1CN(C1)C1CCN(CC1)C(=O)C=C
FC(F)c1nn(cc1NC(=O)c1cccc(n1)-c1cc[nH]n1)C1CN(C1)C1CCN(CC1)C(=O)C=C
CC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cc[nH]n2)c(n1)C(F)F
COC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cc[nH]n2)c(n1)C(F)F
CCC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cc[nH]n2)c(n1)C(F)F
OCC(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cc[nH]n2)c(n1)C(F)F
CN(C)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cc[nH]n2)c(n1)C(F)F
CC(C)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cc[nH]n2)c(n1)C(F)F
C[C@H](O)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c(n1)C(F)F |r|
C[C@@H](O)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c(n1)C(F)F |r|
CC(C)(O)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c(n1)C(F)F
CS(=O)(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c(n1)C(F)F
C[C@H](O)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)F)c2)c(n1)C(F)F |r|
C[C@@H](O)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)F)c2)c(n1)C(F)F |r|
CC(C)(O)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)F)c2)c(n1)C(F)F
CS(=O)(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)F)c2)c(n1)C(F)F
CN(C)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cnn(CC(F)F)c2)c(n1)C(F)F
C[C@H](O)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cc[nH]n2)c(n1)C(F)F |r|
C[C@@H](O)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cc[nH]n2)c(n1)C(F)F |r|
CC(C)(O)C(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cc[nH]n2)c(n1)C(F)F
CS(=O)(=O)N1CCC(CC1)N1CC(C1)n1cc(NC(=O)c2cccc(n2)-c2cc[nH]n2)c(n1)C(F)F
CC(C)(C#N)n1cc(cn1)-c1cccc(n1)C(=O)Nc1cn(nc1C(F)F)C1CN(C1)C1CCN(CC1)C(=O)CO
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CS(=O)(=O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(O)cc2n1
CC(C)(O)c1cc2nn(CCS(C)(=N)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CCS(C)(=N)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CCS(=N)(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(O)c1cc2nn(CCS(=N)(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CCS(=N)(=O)c3ccccc3)nc2cc1N1CCOCC1
OC1CCN(C1)c1cc2nn(CCS(=N)(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CCS(=N)(=O)c3ccncc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(O)c1cc2nn(CCS(=N)(=O)c3ccncc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CCS(=N)(=O)c3ccncc3)nc2cc1N1CCOCC1
OC1CCN(C1)c1cc2nn(CCS(=N)(=O)c3ccncc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CCS(=N)(=O)c3ccnc4ccccc34)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(O)c1cc2nn(CCS(=N)(=O)c3ccnc4ccccc34)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CCS(=N)(=O)c3ccnc4ccccc34)nc2cc1N1CCOCC1
OC1CCN(C1)c1cc2nn(CCS(=N)(=O)c3ccnc4ccccc34)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Cc1cc2nn(CCS(=N)(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Fc1cc2nn(CCS(=N)(=O)c3cccs3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CCS(=N)(=O)c3ccncc3)cc2cc1NC(=O)c1coc(n1)-c1ccnc(C)c1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2cn(CCS(=N)(=O)c3ccncc3)nc2cc1C(C)(C)O
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2cn(CCS(=N)(=O)c3ccncc3)nc2cc1N1CCOCC1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2cn(CCS(=N)(=O)c3ccncc3)nc2cc1N1CCC(O)C1
COc1cc2nn(CCS(=N)(=O)c3ccccn3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2cn(CCS(=N)(=O)c3ccccn3)nc2cc1N1CCC(O)C1
COc1cc2nn(CCS(=N)(=O)c3ccncc3)cc2cc1NC(=O)c1cnn2cccnc12
CC(C)(O)c1cc2nn(CCS(=N)(=O)c3ccccc3)cc2cc1NC(=O)c1cnn2cccnc12
N=S(=O)(CCn1cc2cc(NC(=O)c3cnn4cccnc34)c(cc2n1)N1CCOCC1)c1ccnc2ccccc12
OC1CCN(C1)c1cc2nn(CCS(=N)(=O)c3ccccn3)cc2cc1NC(=O)c1cnn2cccnc12
COc1cc2nn(CCS(=O)(=NC)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(O)c1cc2nn(CCS(=O)(=NC3CC3)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CCS(=N)(=O)c3ccc(F)cc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CCS(=N)(=O)c3ccccc3)cc2cc1NC(=O)c1coc(n1)-c1ccnc(C)c1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2cn(CCS(=N)(=O)c3ccnc4ccccc34)nc2cc1C(C)(C)O
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2cn(CCS(=N)(=O)c3ccccc3)nc2cc1N1CCOCC1
COc1cc2nn(CCS(=N)(=O)c3ncccn3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2cn(CCS(=N)(=O)c3ncccn3)nc2cc1C(C)(C)O
N=S(=O)(CCn1cc2cc(NC(=O)c3cnn4cccnc34)c(cc2n1)N1CCOCC1)c1ncccn1
CC(C)(O)c1cc2nn(CCS(=N)(=O)c3ncnc4ccccc34)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CCS(=N)(=O)C3=NCCS3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F |t:12|
COc1cc2nn(CCS(=N)(=O)C3=NCCO3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F |t:12|
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@H]1CC[C@@H](CC1)N(C)C(C)=O |r,wU:25.31,wD:22.24,(4.09,-3.47,;4.09,-1.93,;2.75,-1.16,;1.42,-1.93,;.09,-1.16,;-1.38,-1.63,;-2.28,-.39,;-1.38,.86,;.09,.39,;1.42,1.16,;2.75,.39,;4.09,1.16,;4.09,2.7,;5.42,.39,;6.75,1.16,;6.75,2.7,;8.09,3.47,;9.42,2.7,;9.42,1.16,;10.75,.39,;8.09,.39,;8.09,-1.16,;-3.82,-.39,;-4.59,.95,;-6.13,.95,;-6.9,-.39,;-6.13,-1.72,;-4.59,-1.72,;-8.44,-.39,;-9.21,.95,;-9.21,-1.72,;-10.75,-1.72,;-8.44,-3.05,)|
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@@H]1CCC(C[C@H]1C)N(C)C(C)=O |r|
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@@H]1CCC(C[C@@H]1C)N(C)C(C)=O |r|
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@@H]1CC[C@H](C[C@@H]1C)N(C)C(C)=O |r|
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@H]1CC[C@@H](C[C@H]1C)N(C)C(C)=O |r|
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@@H]1CC[C@@H](C[C@@H]1C)N(C)C(C)=O
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@@H]1CC[C@H](C[C@H]1C)N(C)C(C)=O
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)O |r,wU:25.31,wD:22.24,32.37,(4.47,-3.46,;4.47,-1.92,;3.14,-1.15,;1.8,-1.92,;.47,-1.15,;-.99,-1.63,;-1.9,-.39,;-.99,.86,;.47,.39,;1.8,1.15,;3.14,.39,;4.47,1.15,;4.47,2.69,;5.8,.39,;7.14,1.15,;7.14,2.69,;8.47,3.46,;9.81,2.69,;9.81,1.15,;11.14,.39,;8.47,.39,;8.47,-1.15,;-3.44,-.39,;-4.21,.95,;-5.75,.95,;-6.52,-.39,;-5.75,-1.72,;-4.21,-1.72,;-8.06,-.39,;-8.83,.95,;-8.83,-1.72,;-8.06,-3.05,;-10.37,-1.72,;-11.14,-.39,;-11.14,-3.05,)|
COc1cc2nn(cc2cc1C(=O)Nc1cccn(CF)c1=O)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)O |r,wU:26.32,wD:23.25,33.37,(3.8,-3.46,;3.8,-1.93,;2.47,-1.16,;1.14,-1.93,;-.2,-1.16,;-1.66,-1.63,;-2.57,-.38,;-1.66,.86,;-.2,.39,;1.14,1.16,;2.47,.39,;3.8,1.16,;3.8,2.7,;5.14,.39,;6.47,1.16,;6.47,2.7,;7.81,3.46,;9.14,2.7,;9.14,1.16,;10.47,.39,;11.81,1.16,;7.81,.39,;7.81,-1.15,;-4.11,-.38,;-4.88,.95,;-6.42,.95,;-7.19,-.38,;-6.42,-1.72,;-4.88,-1.72,;-8.73,-.38,;-9.5,.95,;-9.5,-1.72,;-8.73,-3.05,;-11.04,-1.72,;-11.81,-.38,;-11.81,-3.05,)|
COc1cc2nn(cc2cc1C(=O)Nc1cccn(CC#N)c1=O)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)O |r
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@H](C)O |r,wU:34.40,27.34,wD:24.27,(3.7,-3.46,;3.7,-1.92,;2.37,-1.15,;1.03,-1.92,;-.3,-1.15,;-1.76,-1.63,;-2.67,-.38,;-1.76,.86,;-.3,.38,;1.03,1.15,;2.37,.38,;3.7,1.15,;3.7,2.69,;5.03,.38,;6.37,1.15,;6.37,2.69,;7.7,3.46,;9.04,2.69,;9.04,1.15,;10.37,.38,;11.91,.38,;11.14,-.95,;7.7,.38,;7.7,-1.15,;-4.21,-.38,;-4.98,.95,;-6.52,.95,
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C2CC2)c1=O)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)O |r,wU:27.34,wD:24.27,34.39,(3.7,-3.47,;3.7,-1.93,;2.37,-1.16,;1.03,-1.93,;-.3,-1.16,;-1.76,-1.63,;-2.67,-.38,;-1.76,.86,;-.3,.39,;1.03,1.16,;2.37,.39,;3.7,1.16,;3.7,2.7,;5.04,.39,;6.37,1.16,;6.37,2.7,;7.7,3.47,;9.04,2.7,;9.04,1.16,;10.37,.39,;11.14,-.95,;11.91,.38,;7.7,.39,;7.7,-1.15,;-4.21,-.38,;-4.98,.95,;-6.52,.95,;-7.29,-.38,;-6.52,-1.72,;-4.98,-1.72,;-8.83,-.38,;-9.6,.95,;-9.6,-1.72,;-8.83,-3.05,;-11.14,-1.72,;-11.91,-.38,;-11.91,-3.05,)|
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C2COC2)c1=O)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)O |wU:25.28,35.41,wD:28.35,(6.53,3.61,;5.2,4.38,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;5.2,1.3,;6.53,2.07,;5.2,-.24,;6.53,-1.01,;7.87,-.24,;9.2,-1.01,;9.2,-2.55,;7.87,-3.32,;7.87,-4.86
COc1cc2nn(cc2cc1C(=O)Nc1cccn(-c2cn[nH]c2)c1=O)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)O |r,wU:29.36,wD:26.29,36.41,(3.25,-3.47,;3.25,-1.93,;1.92,-1.16,;.59,-1.93,;-.75,-1.16,;-2.21,-1.63,;-3.12,-.38,;-2.21,.86,;-.75,.39,;.59,1.16,;1.92,.39,;3.25,1.16,;3.25,2.7,;4.59,.39,;5.92,1.16,;5.92,2.69,;7.25,3.47,;8.59,2.69,;8.59,1.16,;9.92,.39,;11.33,1.01,;12.36,-.13,;11.59,-1.47,;10.08,-1.15,;7.25,.39,;7.25,-1.15,;-4.66,-.38,;-5.43,.95,;-6.97,.95,;-7.74,-.38,;-6.97,-1.72,;-5.43,-1.72,;-9.28,-.38,;-10.05,.95,;-10.05,-1.72,;-9.28,-3.05,;-11.59,-1.72,;-12.36,-.38,;-12.36,-3.05,)|
COc1cc2nn(cc2cc1C(=O)Nc1cccn(-c2cnn(C)c2)c1=O)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)O |r,wU:30.37,wD:27.30,37.43,(3.29,-3.46,;3.29,-1.92,;1.95,-1.15,;.62,-1.92,;-.71,-1.15,;-2.18,-1.63,;-3.08,-.38,;-2.18,.86,;-.71,.38,;.62,1.16,;1.95,.38,;3.29,1.16,;3.29,2.7,;4.62,.38,;5.95,1.16,;5.95,2.7,;7.29,3.47,;8.62,2.7,;8.62,1.16
COc1cc2nn(cc2cc1C(=O)Nc1cccn(-c2cn(C)nn2)c1=O)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)O |r,wU:30.37,wD:27.30,37.43,(3.29,-3.47,;3.29,-1.93,;1.95,-1.16,;.62,-1.93,;-.71,-1.16,;-2.18,-1.63,;-3.08,-.38,;-2.18,.86,;-.71,.38,;.62,1.16,;1.95,.38,;3.
COc1cc2nn(cc2cc1C(=O)Nc1cccn(-c2cnn(C)n2)c1=O)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)O |r,wU:30.37,wD:27.30,37.43,(3.25,-3.46,;3.25,-1.92,;1.92,-1.16,;.59,-1.92,;
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COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@H]1CC[C@@H](CC1)n1ccnn1 |r,wU:25.31,wD:22
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@H]1CC[C@@H](CC1)n1ccnc1[C@H](C)O |r,wU:25.31,33.39,wD:22.24,(4.12,1.18,;4.12,2.72,;2.78,3.49,;1.45,2.72,;.12,3.49,;-1.35,
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@H]1CC[C@@H](CC1)n1ccnc1[C@@H](C)O |r,wU:25.31,wD:22.24,33.39,(4.12,1.18,;4.12,2.72,;2.78,3.49,;1.45,2.72,;.12,3.49,;-1.35
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Cc1ccc(C(=O)N2CCC3(CCC(CN4CCC(n5cc(NC(=O)c6cnn7ccc(N8C[C@H]9C[C@@H]8CO9)nc67)c(C(F)F)n5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O
Cc1ccc(C(=O)N2CCC3(CCN(C[C@H]4CC[C@H](n5cc(NC(=O)c6cnn7ccc(N8CCC[C@H](O)C8)nc67)c(C(F)F)n5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O
CN(CC[C@H]1CC[C@H](n2cc(NC(=O)c3cnn4ccc(N5C[C@H]6C[C@@H]5CO6)nc34)c(C(F)F)n2)CC1)CC1CCN(C(=O)c2ccc(Cl)c(N3CCC(=O)NC3=O)c2)CC1
CN(CCC3CCN(C(=O)c2ccc(Cl)c(N1CCC(=O)NC1=O)c2)CC3)C[C@@H]8CC[C@@H](n7cc(NC(=O)c5cnn6ccc(N4CCC[C@H](N)C4)nc56)c(C(F)F)n7)CC8
O=C1CCN(c2cc(C(=O)N3CCC4(CCN(C[C@H]5CC[C@H](n6cc(NC(=O)c7cnn8ccc(N9CC%10(COC%10)C9)nc78)c(C(F)F)n6)CC5)CC4)CC3)ccc2Cl)C(=O)N1
Cc8ccc(C(=O)N7CCC6(CCC(CN5CCC(n4cc(NC(=O)c2cnn3ccc(N1CCC[C@H](N)C1)nc23)c(C(F)F)n4)CC5)CC6)CC7)cc8N9CCC(=O)CC9=O
Cc1ccc(C(=O)N2CCC3(CCC(CN4CCC(n5cc(NC(=O)c6cnn7ccc(N8CC9(COC9)C8)nc67)c(C(F)F)n5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O
O=C1CCN(c2cc(N3CCN(CCCCN4CCC(n5cc(NC(=O)c6cnn7ccc(N8C[C@H]9C[C@@H]8CO9)nc67)c(C(F)F)n5)CC4)CC3)ccc2Cl)C(=O)N1
O=C1CCN(c2cc(C(=O)N3CCC4(CCC(CN5CCC(n6cc(NC(=O)c7cnn8ccc(N9CCOCC9)nc78)c(C(F)F)n6)CC5)CC4)CC3)ccc2OC(F)(F)F)C(=O)N1
CN(CCC1CCN(C(=O)c2ccc(F)c(C3CCC(=O)NC3=O)c2)CC1)C(=O)[C@H]1CC[C@H](n2cc(NC(=O)c3cnn4ccc(N5CCOCC5)nc34)c(C(F)F)n2)CC1
Cc1ccc(C(=O)N2CCC3(CCC(CN4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCS(=O)(=O)CC8)nc67)c(C(F)F)n5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O
Cc1ccc(C(=O)N2CCC3(CCC(CN4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCC[C@H](O)C8)nc67)c(C(F)F)n5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O
O=C1CCN(c2cc(C(=O)N3CCC4(CCC(CN5CCC(n6cc(NC(=O)c7cnn8ccc(N9CCC[C@H](O)C9)nc78)c(C(F)F)n6)CC5)CC4)CC3)ccc2Cl)C(=O)N1
COc1ccc(C(=O)N2CCC3(CCC(N(C)C[C@H]4CC[C@H](n5cc(NC(=O)c6cnn7ccc(N8CCOCC8)nc67)c(C(F)F)n5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O
COc1ccc(C(=O)N2CCC3(CCN(CCCN4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCOCC8)nc67)c(C(F)F)n5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O
COc1ccc(C(=O)N2CCC3(CCN(CCCCN4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCOCC8)nc67)c(C(F)F)n5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O
O=C1CCC(c2cc(C(=O)N3CCN(CCCC(=O)N4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCOCC8)nc67)c(C(F)F)n5)CC4)CC3)ccc2F)C(=O)N1
O=C1CCN(c2cc(C(=O)N3CCC4(CCC(CN5CCC(n6cc(NC(=O)c7cnn8ccc(N9CCS(=O)(=O)CC9)nc78)c(C(F)F)n6)CC5)CC4)CC3)ccc2Cl)C(=O)N1
N[C@H]9CCCN(c8ccn7ncc(C(=O)Nc6cn(C5CCN(CC1CCC4(CC1)CCN(C(=O)c3ccc(Cl)c(N2CCC(=O)CC2=O)c3)CC4)CC5)nc6C(F)F)c7n8)C9
CN(CCC1CCN(C(=O)c2ccc(Cl)c(N3CCC(=O)NC3=O)c2)CC1)C[C@]1(O)CC[C@@H](n2cc(NC(=O)c3cnn4ccc(N5C[C@H]6C[C@@H]5CO6)nc34)c(C(F)F)n2)CC1
COc1cc2nn([C@H]3CC[C@@H](N(C)CCCCc4cccc5c4n(C)c(=O)n5C4CCC(=O)NC4=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](N(C)CCCCc4cccc5c4n(C)c(=O)n5C4CCC(=O)NC4=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](N(C)C4CCN(CC#Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](N(C)C4CCN(CC#Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](N(C)CCC#Cc4cccc5c4n(C)c(=O)n5C4CCC(=O)NC4=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](N(C)CCC#Cc4cccc5c4n(C)c(=O)n5C4CCC(=O)NC4=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](N(C)CCC4CCN(Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](N(C)CCC4CCN(Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](N(C)C4CCN(CCCc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](N(C)C4CCN(CCCc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](N4CCC(N5CCN(c6ccc7c(c6)n(C)c(=O)n7C6CCC(=O)NC6=O)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](N4CCC(N5CCN(c6ccc7c(c6)n(C)c(=O)n7C6CCC(=O)NC6=O)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](N(C)C4CCN(Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](N(C)C4CCN(Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](N(C)CCCOCCCc4cccc5c4n(C)c(=O)n5[C@@H]4CCC(=O)NC4=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](N(C)CCCOCCCc4cccc5c4n(C)c(=O)n5[C@H]4CCC(=O)NC4=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](N(C)CCCOCCCc4cccc5c4n(C)c(=O)n5[C@@H]4CCC(=O)NC4=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](N(C)CCCOCCCc4cccc5c4n(C)c(=O)n5[C@H]4CCC(=O)NC4=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](NCCOc4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](NCCOc4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](NCCN4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](NCCN4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](NCCN4CCC(CN5CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](NCCN4CCC(CN5CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCC(N5CCN(c6ccc7c(c6)n(C)c(=O)n7C6CCC(=O)NC6=O)CC5)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
COc1cc2nn([C@H]3CC[C@H](CN4CCC(OCC#Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCC(OCC#Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
COc1cc2nn([C@H]3CC[C@H](C(=O)N4CCC(OCC#Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](C(=O)N4CCC(OCC#Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
COc1cc2nn([C@H]3CC[C@H](CN4CCC(n5ccc6c(N7CCC(=O)NC7=O)cccc65)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc(C6CCC(=O)NC6=O)cc5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc7cc6nn([C@@H]5CC[C@@H](CN4CCN(c3cc2c(=O)n(C1CCC(=O)NC1=O)c(=O)c2cc3F)CC4)CC5)cc6cc7C(=O)Nc8cnc9cccnn89
COc7cc6nn([C@@H]5CC[C@@H](CN4CCN(c3cc2c(=O)n(C1CCC(=O)NC1=O)c(=O)c2cc3F)CC4)CC5)cc6cc7C(=O)Nc9cccn(C8CC8)c9=O
COc1cc2nn([C@H]3CC[C@H](C(=O)N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCC(n5ccc6c(N7CCC(=O)NC7=O)cccc65)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
COc1cc2nn([C@H]3CC[C@H](CN4CCC(n5ccc6c(C7CCC(=O)NC7=O)cccc65)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
O=C1CCN(c2cccc3c2ccn3C2CCN(C[C@H]3CC[C@H](n4cc5cc(C(=O)Nc6cnc7cccnn67)c(OC6CC6)cc5n4)CC3)CC2)C(=O)N1
COc1cc2nn([C@H]3CC[C@H](CN4CCC(n5c(C)cc6c(N7CCC(=O)NC7=O)cccc65)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCC(n5cc(C)c6c(N7CCC(=O)NC7=O)cccc65)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCC(N5CCC(n6ccc7c(N8CCC(=O)NC8=O)cccc76)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](C(=O)N4CCC(N5CCC(n6ccc7c(N8CCC(=O)NC8=O)cccc76)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCC(Cn5ccc6c(N7CCC(=O)NC7=O)cccc65)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CCN4CCC(n5ccc6c(N7CCC(=O)NC7=O)cccc65)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CCN4CCC(n5ccc6c(N7CCC(=O)NC7=O)cccc65)CC4)CC3)cc2cc1C(=O)NC1CCCN(C2CC2)C1=O
COc1cc2nn([C@H]3CC[C@H](CN4CCC(CN5CCC(n6ccc7c(N8CCC(=O)NC8=O)cccc76)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](C(=O)N4CCC(CN5CCC(n6ccc7c(N8CCC(=O)NC8=O)cccc76)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn(C3CCC(CN4CCC(CCN5CCC(n6ccc7c(N8CCC(=O)NC8=O)cccc76)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn(C3CCC(CN4CCC(CCN5CCC(n6ccc7c(N8CCC(=O)NC8=O)cccc76)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
O=C1CCN(c2cccc3c2ccn3C2CCN(CC(=O)N3CCC(n4cc5cc(C(=O)Nc6cnc7cccnn67)c(OC6CC6)cc5n4)CC3)CC2)C(=O)N1
O=C1CCN(c2cccc3c2ccn3C2CCN(C(=O)CN3CCC(n4cc5cc(C(=O)Nc6cnc7cccnn67)c(OC6CC6)cc5n4)CC3)CC2)C(=O)N1
O=C1CCN(c2cccc3c2ccn3C2CCN(C(=O)CN3CCC(n4cc5cc(C(=O)Nc6cnc7cccnn67)c(OC6CC6)cc5n4)CC3)CC2)C(=O)N1
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc(C(=O)NC6CCC(=O)NC6=O)c(F)c5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc(C(=O)NC6CCC(=O)NC6=O)c(F)c5)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
COc1cc2nn([C@H]3CC[C@H](CN4CCC(c5ccc6c(c5)n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc7cc6nn([C@@H]5CC[C@@H](CN4CCC(c1ccc2c(c1)n(C)c(=O)n2C3CCC(=O)NC3=O)CC4)CC5)cc6cc7C(=O)Nc9cccn(C8CC8)c9=O
Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCN(C[C@H]4CC[C@H](n5cc6cc(C(=O)Nc7cnc8cccnn78)c(OC7CC7)cc6n5)CC4)CC3)cc21
COc7cc6nn([C@@H]5CC[C@@H](CN4CCN(c1cccc2c1n(C)c(=O)n2C3CCC(=O)NC3=O)CC4)CC5)cc6cc7C(=O)Nc8cnc9cccnn89
Cn%10c(=O)n(C1CCC(=O)NC1=O)c9cccc(N8CCN(C[C@@H]7CC[C@@H](n6cc5cc(C(=O)Nc2cnc3cccnn23)c(OC4CC4)cc5n6)CC7)CC8)c9%10
COc1cc2nn([C@H]3CC[C@H](CN4CCN(Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(CC5CCN(c6ccc(N7CCC(=O)NC7=O)c(C)c6)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COC1=CC(=N)/C(=CN[C@H]2CC[C@H](CN3CCN(CC4CCN(c5ccc(N6CCC(=O)NC6=O)cc5)CC4)CC3)CC2)C=C1C(=O)Nc1cccn(C2CC2)c1=O
COc1cc2nn([C@H]3CC[C@H](CN4CCC(c5cc6ccc(N7CCC(=O)NC7=O)cc6n5C)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
O=C1CCC(c2ccc(N3CCN(C[C@H]4CC[C@H](n5cc6cc(C(=O)Nc7cnc8cccnn78)c(OC7CC7)cc6n5)CC4)CC3)cc2)C(=O)N1
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc(C6CCC(=O)NC6=O)cc5)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc(C6CCC(=O)NC6=O)c(C)c5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc(C6CCC(=O)NC6=O)c(C)c5)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
COc1cc2nn([C@H]3CC[C@H](CN4CCC(N5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc(C6CCC(=O)NC6=O)c(OC)c5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc(C6CCC(=O)NC6=O)c(OC)c5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc(C6CCC(=O)NC6=O)nc5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
COc1cc2nn([C@H]3CC[C@H](CN4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COC1=CC(=N)/C(=CN[C@H]2CC[C@H](CN3CCN(c4cc5c(c(OC)c4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)CC2)C=C1C(=O)Nc1cccn(C2CC2)c1=O
COc1cc2nn([C@H]3CC[C@H](CN4CCN(C5CCC(n6ccc7c(N8CCC(=O)NC8=O)cccc76)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(C5CCC(n6ccc7c(N8CCC(=O)NC8=O)cccc76)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
Cc1nn(C2CCC(=O)NC2=O)c2cccc(N3CCN(C[C@H]4CC[C@H](n5cc6cc(C(=O)Nc7cnc8cccnn78)c(OC7CC7)cc6n5)CC4)CC3)c12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5ccc6c(c5)c(C)nn6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](Cn4cc(-c5cccc6c5c(C)nn6C5CCC(=O)NC5=O)cn4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](Cn4cc(-c5cccc6c5c(C)nn6C5CCC(=O)NC5=O)cn4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@H](CN4CCN(c5cccc6c5oc(=O)n6C5CCC(=O)NC5=O)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc8cc7nn([C@@H]6CC[C@@H](CN5CCN(c1ccc3c(c1)C2(CC2)C(=O)N3C4CCC(=O)NC4=O)CC5)CC6)cc7cc8C(=O)Nc9cnc%10cccnn9%10
COc1cc2nn([C@H]3CC[C@H](CN4CCC(c5cn(C)c6c(N7CCC(=O)NC7=O)cccc56)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](CN4CCC(n5ccc6c(N7CCC(=O)NC7=O)cccc65)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn([C@H]3CC[C@@H](CN4CCC(n5ccc6c(N7CCC(=O)NC7=O)cccc65)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc8cc7nn(C6CC5(CCN(CC(=O)N4CCN(c3ccc2c(=O)n(C1CCC(=O)NC1=O)c(=O)c2c3)CC4)CC5)C6)cc7cc8NC(=O)c9cccc(C(F)(F)F)n9
COc8cc7nn(C6CC5(CCN(C(=O)[C@@H]4CC[C@@H](CNc3ccc2c(=O)n(C1CCC(=O)NC1=O)c(=O)c2c3)CC4)CC5)C6)cc7cc8NC(=O)c9cccc(C(F)(F)F)n9
COc8cc7nn(C6CC5(CCN(C(=O)[C@@H]4CC[C@@H](Nc3ccc2c(=O)n(C1CCC(=O)NC1=O)c(=O)c2c3)CC4)CC5)C6)cc7cc8NC(=O)c9cccc(C(F)(F)F)n9
COc8cc7nn(C6CC5(CCN(C(=O)C4CCN(c3cc2c(=O)n(C1CCC(=O)NC1=O)c(=O)c2cc3F)CC4)CC5)C6)cc7cc8NC(=O)c9cccc(C(F)(F)F)n9
COc1cc2nn(C3CC4(CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CCN(CC(=O)N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)CC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CCN(C(=O)CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc7cc6nn(C5CCN(CC(=O)N4CCN(c3cc2c(=O)n(C1CCC(=O)NC1=O)c(=O)c2cc3F)CC4)CC5)cc6cc7NC(=O)c8cccc(C(F)(F)F)n8
CC(C)(O)c7cc6nn(C5CCN(CC(=O)N4CCN(c3ccc2c(=O)n(C1CCC(=O)NC1=O)c(=O)c2c3)CC4)CC5)cc6cc7NC(=O)c8cccc(C(F)(F)F)n8
COc1cc2nn(C3CCN(C(C)C(=O)N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CCN(C4CC5(CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)CC3)cc2cc1NC(=O)c1cccc(C)n1
COc1cc2nn(C3CC4CCC(C3)N4CC(=O)N3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CCN(C(=O)C4CCN(Cc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CCN(C4CCN(C(=O)c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
O=C1CCC(N2C(=O)c3ccc(N4CCN(C(=O)CN5CCC(n6cc7cc(NC(=O)c8cccc(C(F)(F)F)n8)c(OC(F)(F)F)cc7n6)CC5)CC4)cc3C2=O)C(=O)C1
COc1cc2nn(C3CCN(CC(=O)N4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CCN(CC(=O)N4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
CC(C)(O)c8cc7nn(C6CC5(CCN(C(=O)C4CCN(c3ccc2c(=O)n(C1CCC(=O)NC1=O)c(=O)c2c3)CC4)CC5)C6)cc7cc8NC(=O)c9cccc(C(F)(F)F)n9
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
Cc1cccc(C(=O)Nc2cc3cn(C4CC5(CCN(C(=O)C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)nc3cc2N2CCOCC2)n1
O=C1CCC(N2C(=O)c3ccc(N4CCC(C(=O)N5CCC6(CC5)CC(n5cc7cc(NC(=O)c8cccc(C(F)(F)F)n8)c(N8CC[C@@H](O)C8)cc7n5)C6)CC4)cc3C2=O)C(=O)N1
Cc1cccc(C(=O)Nc2cc3cn(C4CC5(CCN(C(=O)C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)nc3cc2C(C)(C)O)n1
COc1cc2nn(C3CC4(C3)CN(C(=O)C3CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)C4)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCC(NC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CC6(C5)CN(c5ccc7c(c5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CCC4(CC3)CN(C(=O)C3CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)C4)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCC(C(=O)N5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
Cc1cccc(C(=O)Nc2cc3cn(C4CC5(CCN(C(=O)C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)nc3cc2C(C)(C)O)n1
COc1cc2nn(C3CC4(CCN(C5CC6(CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCC6(CC5)CN(c5ccc7c(c5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CCC4(CC3)CCN(C(=O)C3CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)CC4)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn([C@H]3C[C@@H]4CN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C[C@@H]4C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)[C@H]5CC[C@H](C(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(-c7scnc7C)cc6)C(C)(C)C)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(C1CC3(CCN(C(=O)C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C1)C2=O
COc1cc2nn(C3CC4(CCN(C(=O)[C@H]5CC[C@H](Oc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(c5cnn(C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)c5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5(O)CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5(F)CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5(F)F)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5(C)CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)CC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(N2CCOCC2)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(c6ccc(=O)[nH]n6)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cnn2ccc(N3C[C@H]4C[C@@H]3CO4)nc12
O=C1CCC(N2C(=O)c3ccc(N4CCC(C(=O)N5CCC6(CC5)CN(c5nc7nc(N8CC[C@@H](O)C8)c(NC(=O)c8cccc(C(F)(F)F)n8)cc7o5)C6)CC4)cc3C2=O)C(=O)N1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(N2CCOCC2)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1ccn(C(F)F)n1
O=C1CCC(N2C(=O)c3ccc(N4CCC(C(=O)N5CCC6(CC5)CC(n5cc7cc(NC(=O)c8cccc(C(F)(F)F)n8)c(C(=O)O)cc7n5)C6)CC4)cc3C2=O)C(=O)N1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cnn2ccc(N3CCN(C)CC3)nc12
COc1cc2nn(C3CC4(CCN(C(=O)C5(F)CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(N2CCOCC2)n1
COc1cc2nn(C3CC4(CCN(C5CCN(C(=O)c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(N2CC3CC2CO3)n1
O=C1CCC(N2C(=O)c3ccc(N4CCC(C(=O)N5CCC6(CC5)CC(n5cc7cc(NC(=O)c8cccc(C(F)(F)F)n8)c(F)cc7n5)C6)CC4)cc3C2=O)C(=O)N1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1coc(N2CCOCC2)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5(F)F)CC4)C3)cc2cc1NC(=O)c1cccc(N2CCOCC2)n1
COc1cc2c(cnn2C2CC3(CCC(C(=O)N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C2)cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N([C@@H]6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)[C@H]5CC[C@H](Nc6ccc7c(c6)C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)[C@H]5CC[C@H](Nc6ccc7c(c6)C(=O)N([C@@H]6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6cc7c(cc6F)C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6cc7c(cc6F)C(=O)N([C@@H]6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
CC(C)(O)c1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
Cc1cccc(C(=O)Nc2cc3cn(C4CC5(CCN(C(=O)C6CCN(c7ccc8c(c7)C(=O)N([C@@H]7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)nc3cc2C(C)(C)O)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N([C@@H]6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](O)C3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCOCC3)n2)cn1
CN1CCN(c2nc3nc(N4CCOCC4)oc3cc2C(=O)Nc2cccc(-c3cnn(C)c3)n2)CC1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCC(O)CC3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CC[C@H](O)C3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CC(O)(C4CC4)C3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCC(F)(F)CC3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCC(F)(F)C3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCNCC3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CC(C)(O)C3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CC4(C3)CC(F)(F)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCCC(O)C3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CC4(CCOC4)C3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCN4CCC[C@@H]4C3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CC4(CC(O)C4)C3)n2)cn1
CN(C)C1CCN(c2nc3nc(N4CCOCC4)oc3cc2C(=O)Nc2cccc(-c3cnn(C)c3)n2)CC1
COC1CCN(c2nc3nc(N4CCOCC4)oc3cc2C(=O)Nc2cccc(-c3cnn(C)c3)n2)CC1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCC(C)(O)CC3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCC4(CCO4)CC3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCN4CCC[C@H]4C3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3C4CCC3CC(O)C4)n2)cn1
CC1CN(c2nc3nc(N4CCOCC4)oc3cc2C(=O)Nc2cccc(-c3cnn(C)c3)n2)CCN1C
COCCN1CCN(c2nc3nc(N4CCOCC4)oc3cc2C(=O)Nc2cccc(-c3cnn(C)c3)n2)CC1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCN(C4CC4)CC3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCN(CCO)CC3)n2)cn1
CN1CCN(c2nc3nc(N4CCOCC4)oc3cc2C(=O)Nc2cccc(-c3cnn(C)c3)n2)CC1CO
N#Cc1cccc(NC(=O)c2cc3oc(N4CCOCC4)nc3nc2N2CCC(O)CC2)n1
COc1cccc(NC(=O)c2cc3oc(N4CCOCC4)nc3nc2N2CCC(O)CC2)n1
COc1ncccc1NC(=O)c1cc2oc(N3CCOCC3)nc2nc1N1CCC(O)CC1
COc1cccc(NC(=O)c2cc3oc(N4CCOCC4)nc3nc2N2CCC(OC)CC2)n1
Cc1cc(-c2nc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](O)C3)co2)ccn1
COc1ncccc1NC(=O)c1cc2oc(N3CCOCC3)nc2nc1N1CCC(OC)CC1
COC1CCN(c2nc3nc(N4CCNCC4)oc3cc2C(=O)Nc2cccc(-c3cnn(C)c3)n2)CC1
COC1CCN(c2nc3nc(N4CCN(C)CC4)oc3cc2C(=O)Nc2cccc(-c3cnn(C)c3)n2)CC1
COc1nc2nc(N3CCOCC3)oc2cc1C(=O)Nc1cccc(-c2cnn(C)c2)n1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCNCC5)nc4nc3N3CCC4(CCO4)CC3)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCNCC5)nc4nc3N3CCC(C)(O)CC3)n2)cn1
COC1CCN(c2nc3nc(N4CCN(CCO)CC4)oc3cc2C(=O)Nc2cccc(-c3cnn(C)c3)n2)CC1
CN1CCN(c2nc3nc(N4CCC5(CCO5)CC4)c(C(=O)Nc4cccc(-c5cnn(C)c5)n4)cc3o2)CC1
CN1CCN(c2nc3nc(N4CCC(C)(O)CC4)c(C(=O)Nc4cccc(-c5cnn(C)c5)n4)cc3o2)CC1
COC1CCN(c2nc3c(cc2C(=O)Nc2cccc(-c4cnn(C)c4)n2)CC(C)(C)O3)CC1
CN1CCN(c2nc3c(cc2C(=O)Nc2cccc(-c4cnn(C)c4)n2)CC(C)(C)O3)CC1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3N3CCN(CCO)CC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3N3CCN(C5CC5)CC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3N3CCC(O)CC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3N3CCC5(CCO5)CC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3N3CCC(C)(O)CC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3N3CCNC5(CC5)C3)OC(C)(C)C4)n2)cn1
CC1(C)Cc2cc(C(=O)Nc3cccn([C@H]4C[C@H]4F)c3=O)c(N3CCC(O)CC3)nc2O1
CC1(C)Cc2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(N3CCC(O)CC3)nc2O1
COc1nc2c(cc1C(=O)Nc1cccc(-c3cnn(C)c3)n1)CC(C)(C)O2
CCOc1nc2c(cc1C(=O)Nc1cccc(-c3cnn(C)c3)n1)CC(C)(C)O2
CC(C)Oc1nc2c(cc1C(=O)Nc1cccc(-c3cnn(C)c3)n1)CC(C)(C)O2
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CCC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CCCC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3COC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@H]3CCOC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OCCO)OC(C)(C)C4)n2)cn1
COCCOc1nc2c(cc1C(=O)Nc1cccc(-c3cnn(C)c3)n1)CC(C)(C)O2
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC(F)F)OC(C)(C)C4)n2)cn1
CN1CCC(Oc2nc3c(cc2C(=O)Nc2cccc(-c4cnn(C)c4)n2)CC(C)(C)O3)C1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CCNC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CCOCC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OCC3CC3)OC(C)(C)C4)n2)cn1
CC(Oc1nc2c(cc1C(=O)Nc1cccc(-c3cnn(C)c3)n1)CC(C)(C)O2)C1CC1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CC(O)C3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CNC(=O)OC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CNC3)OC(C)(C)C4)n2)cn1
CN1CC(Oc2nc3c(cc2C(=O)Nc2cccc(-c4cnn(C)c4)n2)CC(C)(C)O3)C1
CN(C)CCOc1nc2c(cc1C(=O)Nc1cccc(-c3cnn(C)c3)n1)CC(C)(C)O2
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@@H]3CCOC3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CC(C)(O)C3)OC(C)(C)C4)n2)cn1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@H]3C[C@H](O)C3)OC(C)(C)C4)n2)cn1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r|
NC(=O)c3cc2cccc(OC[C@@H]1CCC(=O)N1)c2n4ccnc34
CC[C@@H]1CC(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nccn2c34
CC[C@H]1CC(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nccn2c34
CC[C@@H]1[C@@H](F)C(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nccn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nccn2c34
CC[C@H]4[C@@H](COc2cccc3cc(C(N)=O)c1nccn1c23)NC(=O)[C@@]4(C)F
NC(=O)c3cc2cccc(OC[C@H]1COCC(=O)N1)c2n4ccnc34
CC[C@H]4[C@@H](COc2cccc3cc(C(N)=O)c1nccn1c23)NC(=O)C4(F)F
CC[C@@H]1CC(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nc(C)cn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nc(C)cn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nc(C(C)(C)O)cn2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3ccc(F)c4cc(C(N)=O)c2nccn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3ccc(F)c4cc(C(N)=O)c2nccn2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2nccn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2nccn2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2nc(C)cn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2nc(C)cn2c34
CC[C@H]4[C@@H](COc2nccc3cc(C(N)=O)c1nccn1c23)NC(=O)C4(F)F
CC[C@H]4[C@@H](COc2nccc3cc(C(N)=O)c1nc(C)cn1c23)NC(=O)C4(F)F
CC[C@@H]1OC(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2nccn2c34
CC[C@H]1OC(=O)N[C@H]1COc3nccc4cc(C(N)=O)c2nccn2c34
CC[C@@H]1OC(=O)N[C@H]1COc3nccc4cc(C(N)=O)c2nccn2c34
CC[C@H]1OCC(=O)N[C@H]1COc3nccc4cc(C(N)=O)c2nccn2c34
CC[C@@H]1OCC(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2nccn2c34
NC(=O)c3cc2ccnc(OC[C@@H]1CNC(=O)N1)c2n4ccnc34
CC[C@@H]1CC(=O)N[C@@H]1COc3nc(C)cc4cc(C(N)=O)c2nccn2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3nc(C)cc4cc(C(N)=O)c2nc(C)cn2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3nc(C(F)(F)F)cc4cc(C(N)=O)c2nccn2c34
CC[C@H]1CC(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2nc(C(F)(F)F)cn2c34
CC[C@@H]1[C@H](F)C(=O)N(CO)[C@@H]1COc3nccc4cc(C(N)=O)c2nccn2c34
CC[C@@H]1CC(=O)NC1COc3nccc4cc(C(N)=O)c2nccn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3cccc4cc(C(N)=O)n2nccc2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3cccc4cc(C(N)=O)n2nccc2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3nccc4cc(C(N)=O)n2nccc2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2ncnn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2ncnn2c34
CC[C@H]4[C@@H](COc2cccc3cc(C(N)=O)c1ncnn1c23)NC(=O)C4(F)F
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nc(C)nn2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nncn2c34
CC[C@H]1CC(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nncn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nncn2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nnnn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3cccc4cc(C(N)=O)c2nnnn2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2nnnn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2ncnn2c34
CC[C@H]4[C@@H](COc2nccc3cc(C(N)=O)c1ncnn1c23)NC(=O)C4(F)F
CC[C@@H]1CC(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2nc(C)nn2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2OC(C)Cc2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2O[C@@H](C)Cc2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2O[C@H](C)Cc2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2OC(C)Cc2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2OCCc2c34
CC[C@@H]1CC(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2ncccc2c34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2ncccc2c34
CC[C@@H]1CC(=O)N[C@@H]1COC3=CC(F)=CC4C=C(C(N)=O)c2nccn2C34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COC3=CC(F)=CC4C=C(C(N)=O)c2nccn2C34
CC[C@@H]1CC(=O)N[C@@H]1COC3=C(F)C=CC4C=C(C(N)=O)c2nccn2C34
CC[C@@H]1CC(=O)N[C@@H]1COC3=CC=CC4C=C([N+]#[C-])c2nccn2C34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COC3=CC=CC4C(NC)=C(C(N)=O)c2nccn2C34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COC3=CC=CC4C=C(C(N)=O)n2nc(C)cc2C34
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc3nccc4cc(C(N)=O)c2OC(C)(C)Cc2c34
CC(C)n1nc(NCC2CCNCC2)c2cnn3cc(-c4cccnc4)cc3c21
COC(=O)N1CCC(CNc2nn(C(C)C)c3c2cnn2cc(-c4cccnc4)cc32)CC1
CC(C)n1nc(NCC2CCNCC2)c2cnn3cc(-c4ccncc4)cc3c21
COC(=O)N1CCC(CNc2nn(C(C)C)c3c2cnn2cc(-c4ccncc4)cc32)CC1
CC(C)n1nc(NCC2CCN(C)CC2)c2cnn3cc(-c4ccncc4)cc3c21
COC(=O)NC1CCC(Nc2nn(C(C)C)c3c2cnn2cc(-c4cccnc4)cc32)CC1
COC(=O)NC1CCC(Nc2nn(C(C)C)c3c2cnn2cc(-c4ccncc4)cc32)CC1
CC(=O)N1CCC(Nc2nn(C(C)C)c3c2cnn2cc(-c4ccncc4)cc32)CC1
CC(C)n1nc(NC2CCNCC2)c2cnn3cc(-c4ccncc4)cc3c21
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O
CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-]
CC(=O)N1CCC[C@H](C1)n1cc(cn1)-c1cnc(nc1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(cn1)-c1cnn(c1)[C@@H]1CCCN(C1)S(C)(=O)=O |r|
CN(C)C(=O)Cc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
OCc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)n2)cc(C)n1 |r|
CN1CCN(CC1)c1cccc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nc(sc2c1)N1CCOCC1
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1 |r|
CN(C)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)nc2[nH]ccc12 |r,wU:3.2,wD:6.9,(56.02,-20.97,;57.35,-21.74,;57.35,-23.28,;58.69,-20.98,;58.69,-19.44,;60.02,-18.68,;61.36,-19.45,;61.36,-20.98,;60.02,-21.75,;62.69,-18.68,;62.69,-17.14,;61.36,-16.37,;61.36,-14.83,;60.03,-14.06,;58.69,-14.83,;57.36,-14.05,;56.03,-14.82,;56.03,-16.36,;57.37,-17.13,;58.7,-16.36,;62.69,-14.06,;64.02,-14.82,;65.49,-14.34,;66.41,-15.59,;65.49,-16.84,;64.02,-16.37,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(F)c12 |r,wU:3.2,wD:6.9,(43.41,-21.28,;44.74,-22.06,;44.74,-23.59,;46.08,-21.29,;46.09,-19.75,;47.41,-18.99,;48.75,-19.76,;48.75,-21.3,;47.41,-22.06,;50.08,-18.99,;50.08,-17.45,;48.75,-16.68,;48.75,-15.14,;50.08,-14.37,;51.41,-15.13,;52.89,-14.65,;53.8,-15.9,;52.89,-17.15,;53.37,-18.61,;51.41,-16.68,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C#N)c12 |r,wU:3.2,wD:6.9,(29.49,-21.24,;30.82,-22.02,;30.82,-23.56,;32.16,-21.25,;32.17,-19.71,;33.5,-18.95,;34.83,-19.72,;34.83,-21.26,;33.49,-22.03,;36.17,-18.95,;36.17,-17.41,;34.83,-16.64,;34.83,-15.1,;36.16,-14.33,;37.5,-15.09,;38.97,-14.61,;39.88,-15.86,;38.97,-17.11,;39.46,-18.57,;39.94,-20.03,;37.5,-16.64,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3ccc(cc3c12)C(N)=O |r,wU:3.2,wD:6.9,(14.07,-21.04,;15.39,-21.82,;15.39,-23.35,;16.73,-21.05,;16.74,-19.52,;18.06,-18.75,;19.4,-19.52,;19.4,-21.06,;18.06,-21.83,;20.73,-18.75,;20.73,-17.22,;19.4,-16.45,;19.4,-14.91,;20.72,-14.14,;22.06,-14.9,;23.53,-14.42,;24.44,-15.67,;25.97,-15.82,;26.6,-17.23,;25.69,-18.49,;24.16,-18.32,;23.53,-16.91,;22.06,-16.45,;26.32,-19.89,;27.85,-20.05,;25.42,-21.14,)|
C1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3ccccc3c12 |r,wU:6.6,wD:9.13,(1.79,-21.14,;3.12,-20.38,;4.45,-21.16,;4.45,-22.69,;3.11,-23.45,;1.78,-22.67,;5.79,-20.4,;5.8,-18.86,;7.12,-18.1,;8.46,-18.87,;8.46,-20.41,;7.12,-21.17,;9.79,-18.1,;9.79,-16.56,;8.46,-15.8,;8.46,-14.25,;9.79,-13.48,;11.12,-14.25,;12.59,-13.77,;13.5,-15.01,;15.03,-15.17,;15.66,-16.58,;14.75,-17.83,;13.22,-17.67,;12.59,-16.26,;11.12,-15.8,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3ccccc3c12 |r,wU:3.2,wD:6.9,(53.46,-9.22,;54.79,-9.99,;54.79,-11.53,;56.12,-9.23,;56.13,-7.69,;57.46,-6.93,;58.79,-7.7,;58.79,-9.24,;57.46,-10,;60.13,-6.93,;60.12,-5.39,;58.79,-4.62,;58.8,-3.08,;60.12,-2.31,;61.45,-3.08,;62.93,-2.6,;63.84,-3.84,;65.37,-4,;66,-5.4,;65.09,-6.66,;63.55,-6.5,;62.93,-5.09,;61.45,-4.62,)|
NC(=O)[C@@H](O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12 |r,wU:20.23,wD:17.16,6.5,3.3,(47.71,-11.7,;46.68,-10.55,;45.18,-10.87,;47.17,-9.09,;48.67,-8.78,;46.14,-7.95,;46.62,-6.48,;48.09,-6.01,;48.1,-4.47,;46.63,-3.99,;45.72,-2.74,;44.25,-3.22,;42.92,-2.45,;41.59,-3.22,;41.59,-4.77,;42.92,-5.54,;42.92,-7.07,;41.59,-7.84,;40.25,-7.07,;38.92,-7.84,;38.92,-9.37,;40.25,-10.15,;41.59,-9.38,;37.58,-10.14,;36.25,-9.35,;34.92,-10.11,;34.91,-11.65,;36.23,-12.43,;37.58,-11.66,;44.25,-4.77,;45.72,-5.23,)|
c1nc(c2c3c(sc2n1)CC[C@@H]3CC(=O)N)OC4CCC(CC4)N5CCOCC5
CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4
O=C(N1CCOCC1)c1ccc(cc1)-n1cc(nn1)-c1n[nH]c2ccccc12
N[C@H]1CCCC[C@H]1Nc1cccc2nc(sc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
NCCNc1cccc2nc(sc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
Cn1cc(NC(=O)c2coc(n2)-c2ccnc(NCC(F)(F)F)c2)c(n1)C(N)=O
NC(=O)c1nn(cc1NC(=O)c1coc(n1)-c1ccnc(NCC(F)(F)F)c1)-c1cccnc1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.1,3.76,;2.47,3.09,;3.52,4.21,;2.78,5.56,;1.27,5.27,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;2.12,4.34,;1.93,3.21,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:14.16,wD:7.6,(3.73,4.94,;3.72,3.71,;4.78,3.08,;2.38,2.95,;1.05,3.73,;1.06,4.97,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.15,wD:6.5,(3.73,4.94,;3.72,3.71,;4.79,4.32,;4.78,3.08,;2.38,2.95,;1.05,3.73,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.05,3.73,;2.38,2.95,;2.5,1.43,;4,1.09,;4.49,-.04,;4.79,2.42,;3.77,3.57,;4.03,4.78,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)|
CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(3.45,3.56,;2.38,2.95,;1.05,3.73,;1.06,4.97,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
[H][C@]1(C(C)O)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:11.13,1.0,TLB:2:1:7.6:9.10,THB:12:11:7.6:9.10,(-.64,1.54,;.13,.87,;1.58,1.51,;1.76,2.72,;2.54,.74,;1.38,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.67,-3.13,;-6.25,-1.7,;-5.29,-.49,;-5.75,.65,;-3.58,-4.78,;-4.4,-6.03,;-3.42,-7.22,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.27,;-.83,-4.26,;-2.1,-5.13,)|
[H][C@]1(C(O)CO)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:12.14,1.0,TLB:2:1:8.7:10.11,THB:13:12:8.7:10.11,(-.64,1.55,;.13,.87,;1.58,1.51,;2.6,.82,;1.69,3.04,;2.79,3.59,;1.39,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.68,-3.13,;-6.25,-1.7,;-5.3,-.49,;-5.76,.65,;-3.58,-4.78,;-4.4,-6.04,;-3.43,-7.23,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.28,;-.83,-4.26,;-2.1,-5.13,)|
Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.34,-.85,;6.12,-.67,;5.04,-1.77,;3.68,-1.07,;3.89,.44,;5.4,.7,;2.26,-1.79,;2.13,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.36,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.58,3.76,;-2.94,3.04,;-2.99,1.5,;-1.68,.69,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.21,7.66,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.88,;3.52,6.58,;1.25,5.75,;-.25,6.14,)|
CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.52,4.21,;2.78,5.56,;1.27,5.27,;1.1,3.76,;2.47,3.09,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.33,-.85,;6.11,-.67,;5.4,.7,;3.88,.44,;3.68,-1.07,;5.04,-1.77,;2.26,-1.79,;2.12,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.35,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.2,7.65,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.87,;3.52,6.58,;1.24,5.75,;-.25,6.13,)|
CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@@H]2CC[C@@H](O)[C@H]2O)n1 |r|
CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(n1)C(F)(F)F |r|
Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(n1)C1CC1 |r|
CCc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
Cc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
COc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
Nc1nc(N)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(n1)C#N |r|
Nc1nc(Cl)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@H]2CC[C@@H](CO)C2)n1 |r|
CCCNc1nc(C)c(-c2nc3ccccc3s2)c(n1)N1CCOCC1
Cc1nc(NCC2CC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
Nc1ncc(-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
Cn1c(nc2ccccc12)-c1cnc(N)nc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1ncc(-c2cnc3ccccn23)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
Nc1ncc(-c2nccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
Nc1ncc(-c2ncc(s2)-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
CCCNc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CC=C
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccncc2[nH]1
OCCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
CCOC(=O)CCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
OCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
CCCCn1c(NC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc12
CCOC(=O)Cn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
COCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
CCCS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(c3)[N+]([O-])=O)[nH]c2c1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1C1CCOC1=O
CCCCn1c(NC(=O)c2ccc(OC)cc2)nc2ccccc12
Cc1ccc2nc(NC(=O)c3cccc(c3)[N+]([O-])=O)[nH]c2c1
COC(=O)c1ccc2nc(NC(=O)c3cccc(c3)[N+]([O-])=O)[nH]c2c1
O=C(Nc1nc2ccccc2[nH]1)c1cccc(c1)C#N
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CCC1CCC1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CC1CCCO1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1
CC(C)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
CCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
CCCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
[O-][N+](=O)c1cc(ccc1F)C(=O)Nc1nc2ccccc2[nH]1
CCCCn1c(NC(=O)c2cccc(Cl)c2)nc2ccccc12
Cc1cc2nc(NC(=O)c3cccc(c3)[N+]([O-])=O)[nH]c2cc1C
CN(C)CCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
COc1ccc2nc(NC(=O)c3cccc(c3)[N+]([O-])=O)[nH]c2c1
CCN(CC)CCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1nc2ccccc2[nH]1
CCCCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
CCOCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2cc(F)c(F)cc2[nH]1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccc(F)cc2[nH]1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccc(Cl)cc2[nH]1
[O-][N+](=O)c1cccc(c1)C(=O)N(CC=C)c1nc2ccccc2n1CC=C
CN(C(=O)c1cccc(c1)[N+]([O-])=O)c1nc2ccccc2n1C1CCOC1=O
OC(=O)CCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccccc1
Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(F)(F)F
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CC(F)(F)CC[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO
COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O
COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O
COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O
COc1cc(ccc1OCC(O)=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O
O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O
COc1ccc(cc1-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(c2)-c2c[nH]c(=O)[nH]c2=O)cc1
Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
Cc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)cc(C)n1 |r|
CC(C)n1ccc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)cc1=O |r|
CC(C)Oc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)ccn1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccnc(OC4CC4)c3)ncc2-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O |r|
COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)ccn1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc(cs2)-c2ccccc2)[C@H](O)[C@@H]1O |r|
COc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-n2cccn2)ccn1 |r|
Cc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-n2cccn2)cc(C)n1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccncc3)ncc2-c2nccs2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3cccnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O |r|
Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
COc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(NC3CC3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O |r|
CN(C)c1cccc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r|
COc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3cccnc3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O |r|
C1CC(CCN1)Nc1nccc(n1)-c1cnc2ccccn12
CNC(=O)CN1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4
CN(C1CCNCC1)c1nccc(n1)-c1cnc2ccccn12
C1CC(CCN1)Oc1nccc(n1)-c1cnc2ccccn12
CN(C1CCCCC1)c1nccc(n1)-c1cnc2ccccn12
C1CC(CCN1)Nc1cccc(n1)-n1cnc2ccccc12
C1CC(CCN1)Nc1cccc(n1)-c1n[nH]c2ccccc12
C1CC(CCN1)Nc1cccc(n1)-c1cncc2ccccc12
C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccccn12
OC[C@H]1C[C@@H](Nc2nc(NC3CC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1 |r|
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1 |r|
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r|
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r|
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CC(F)(F)CC[C@@H]4N)nc23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F |r|
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F
O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
COc1ccc(Nc2nc(N)n(n2)-c2ccccn2)cc1OC
COc1ccccc1Nc1nc(N)n(n1)-c1ccccn1
Nc1nc(Nc2ccccc2Cl)nn1-c1ccccn1
COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Nc1nc(Nc2cc(ccc2F)N2CCOCC2)nn1-c1ccccn1
Nc1nc(Nc2ccccc2Cl)nn1-c1ccc(cn1)C#N
COc1cc(ccc1Nc1nc(N)n(n1)-c1ccc(cn1)C#N)N1CCOCC1
COc1ccccc1Nc1nc(N)n(n1)-c1cc(NCCN(C)C)ncn1
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
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|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
CC(C)Oc1cc2c(O[C@@H]3CCCNC3)nccc2cc1C(N)=O |r|
CC(C)Oc1ccccc1C(=O)N
CC(C)Oc1cc2ccccc2cc1C(N)=O
CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3
CC(C)Oc1cc2c(cccc2cc1C(N)=O)-c1ccc(cc1)C#N
O=S(=O)(C1CC1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:15.20,wD:12.13,(36.95,-11.4,;37.73,-12.74,;38.5,-11.39,;39.06,-13.51,;39.84,-14.84,;40.61,-13.51,;36.4,-13.51,;36.39,-15.05,;35.06,-15.81,;33.74,-15.04,;33.72,-13.5,;35.06,-12.73,;32.4,-15.81,;31.07,-15.05,;29.73,-15.82,;29.74,-17.35,;31.08,-18.12,;32.4,-17.35,;28.41,-18.13,;28.42,-19.67,;29.76,-20.43,;29.77,-21.98,;28.43,-22.75,;27.1,-21.98,;25.77,-22.76,;24.43,-21.99,;24.43,-20.45,;25.76,-19.68,;27.1,-20.44,;23.1,-19.68,;21.76,-18.91,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C1CC1 |r,wU:6.9,wD:3.2,(48.87,-34.99,;47.53,-34.22,;47.53,-32.68,;46.2,-34.99,;44.86,-34.23,;43.52,-35,;43.54,-36.53,;44.87,-37.3,;46.2,-36.53,;42.21,-37.31,;42.22,-38.85,;43.55,-39.61,;43.56,-41.16,;42.23,-41.93,;40.89,-41.17,;39.56,-41.94,;38.22,-41.17,;38.23,-39.63,;39.55,-38.86,;40.89,-39.62,;36.89,-38.86,;36.12,-37.53,;35.35,-38.86,)|
CC(C)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:12.11,wD:15.18,(36.6,-20.41,;36.6,-21.95,;35.27,-22.72,;37.94,-22.72,;37.93,-24.26,;39.27,-25.03,;40.6,-24.26,;41.94,-25.02,;43.27,-24.25,;43.26,-22.7,;41.93,-21.94,;41.92,-20.4,;43.25,-19.62,;43.24,-18.09,;44.57,-17.32,;45.91,-18.08,;45.91,-19.62,;44.58,-20.39,;47.24,-17.31,;48.58,-18.08,;47.24,-15.77,;40.6,-22.71,;39.27,-21.95,)|
CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-]
CN1[C@@H]2CCN(C[C@@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6
CN1[C@H]2CCN(C[C@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6
C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCOCC3)c12 |r,wU:15.15,18.22,(7.34,-17.59,;7.82,-19.04,;6.81,-20.19,;5.29,-19.88,;4.81,-18.42,;5.84,-17.27,;7.29,-21.65,;6.39,-22.91,;7.31,-24.15,;8.77,-23.67,;10.11,-24.44,;11.44,-23.67,;11.44,-22.12,;10.1,-21.36,;10.1,-19.82,;11.43,-19.05,;11.42,-17.51,;12.76,-16.74,;14.1,-17.51,;14.09,-19.05,;12.76,-19.81,;15.43,-16.75,;16.75,-17.52,;18.08,-16.76,;18.1,-15.22,;16.77,-14.45,;15.43,-15.21,;8.77,-22.12,)|
C1CC(CCO1)c1c[nH]c2ncnc(S[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(11.36,-19.45,;11.84,-20.9,;10.82,-22.06,;9.31,-21.75,;8.83,-20.28,;9.85,-19.13,;11.31,-23.52,;10.41,-24.78,;11.32,-26.02,;12.79,-25.53,;14.12,-26.3,;15.46,-25.53,;15.45,-23.98,;14.12,-23.22,;14.12,-21.68,;15.45,-20.91,;15.44,-19.37,;16.78,-18.6,;18.11,-19.38,;18.1,-20.91,;16.78,-21.68,;19.45,-18.61,;20.77,-19.39,;22.1,-18.63,;22.11,-17.08,;20.78,-16.31,;19.44,-17.07,;12.78,-23.99,)|
C1CC(CCO1)c1c[nH]c2nccc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(9.67,-18.63,;10.15,-20.08,;9.13,-21.23,;7.62,-20.92,;7.14,-19.46,;8.16,-18.31,;9.61,-22.69,;8.72,-23.95,;9.63,-25.19,;11.1,-24.71,;12.43,-25.48,;13.76,-24.71,;13.76,-23.16,;12.43,-22.4,;12.42,-20.86,;13.76,-20.09,;13.75,-18.55,;15.09,-17.78,;16.42,-18.55,;16.41,-20.09,;15.08,-20.85,;17.75,-17.79,;19.08,-18.56,;20.41,-17.8,;20.42,-16.26,;19.09,-15.49,;17.75,-16.25,;11.09,-23.16,)|
N#Cc1cnc2[nH]cc(C3CCOCC3)c2c1N[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:18.20,wD:21.27,(16.59,-21.24,;15.26,-22.01,;13.93,-22.79,;13.94,-24.34,;12.6,-25.11,;11.27,-24.34,;9.8,-24.82,;8.89,-23.58,;9.79,-22.32,;9.3,-20.86,;10.32,-19.71,;9.84,-18.26,;8.33,-17.94,;7.31,-19.09,;7.79,-20.55,;11.26,-22.79,;12.6,-22.03,;12.6,-20.49,;13.93,-19.72,;13.92,-18.18,;15.26,-17.41,;16.59,-18.18,;16.58,-19.72,;15.26,-20.48,;17.93,-17.42,;19.25,-18.19,;20.58,-17.43,;20.59,-15.89,;19.26,-15.12,;17.92,-15.88,)|
c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc(C)c(C)c12 |r,wU:6.9,wD:3.2,(14.77,-13.73,;13.44,-12.96,;13.45,-11.42,;12.11,-13.72,;10.78,-12.95,;9.44,-13.72,;9.45,-15.26,;10.77,-16.02,;12.1,-15.26,;8.11,-16.03,;8.12,-17.57,;9.45,-18.33,;9.45,-19.88,;8.12,-20.65,;6.79,-19.88,;5.32,-20.36,;4.4,-19.12,;2.87,-19.14,;5.3,-17.87,;4.81,-16.41,;6.78,-18.33,)|
C1CC(CCO1)c1c[nH]c2ncnc(O[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(12.7,-16.89,;13.18,-18.35,;12.17,-19.5,;10.65,-19.19,;10.17,-17.73,;11.2,-16.58,;12.65,-20.96,;11.75,-22.22,;12.67,-23.46,;14.13,-22.98,;15.47,-23.75,;16.8,-22.97,;16.8,-21.43,;15.46,-20.66,;15.46,-19.13,;16.79,-18.36,;16.78,-16.81,;18.12,-16.05,;19.46,-16.82,;19.45,-18.36,;18.12,-19.12,;20.79,-16.05,;22.11,-16.83,;23.44,-16.07,;23.46,-14.53,;22.13,-13.76,;20.79,-14.52,;14.13,-21.43,)|
CN(C)C(=O)C1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:14.18,wD:11.11,(20.57,-15.78,;20.58,-14.24,;21.92,-13.48,;19.26,-13.46,;19.27,-11.92,;17.92,-14.22,;17.91,-15.76,;16.58,-16.52,;15.25,-15.74,;15.25,-14.21,;16.59,-13.44,;13.92,-16.51,;12.58,-15.74,;11.24,-16.5,;11.25,-18.05,;12.58,-18.81,;13.91,-18.05,;9.92,-18.82,;9.92,-20.36,;11.26,-21.12,;11.26,-22.67,;9.92,-23.44,;8.59,-22.67,;7.12,-23.15,;6.21,-21.91,;7.11,-20.65,;6.62,-19.19,;7.64,-18.04,;7.16,-16.58,;5.65,-16.27,;4.63,-17.42,;5.11,-18.88,;8.58,-21.12,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:13.17,wD:10.10,(21.79,-16.28,;21.8,-14.75,;20.47,-13.96,;20.48,-12.42,;19.14,-14.73,;19.13,-16.27,;17.79,-17.02,;16.47,-16.25,;16.47,-14.71,;17.81,-13.95,;15.14,-17.01,;13.8,-16.24,;12.46,-17.01,;12.47,-18.55,;13.8,-19.32,;15.13,-18.55,;11.14,-19.32,;11.14,-20.86,;12.48,-21.62,;12.48,-23.17,;11.15,-23.94,;9.81,-23.17,;8.35,-23.65,;7.43,-22.41,;8.33,-21.15,;7.85,-19.7,;8.87,-18.54,;8.38,-17.09,;6.88,-16.77,;5.85,-17.92,;6.33,-19.39,;9.81,-21.62,)|
CS(=O)(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:13.17,wD:10.10,(21.28,-13.93,;19.95,-13.14,;19.17,-11.81,;20.72,-11.8,;18.62,-13.91,;18.61,-15.45,;17.27,-16.21,;15.95,-15.43,;15.95,-13.9,;17.29,-13.13,;14.62,-16.2,;13.28,-15.43,;11.94,-16.19,;11.95,-17.73,;13.28,-18.5,;14.61,-17.74,;10.62,-18.5,;10.62,-20.04,;11.96,-20.81,;11.96,-22.35,;10.63,-23.12,;9.29,-22.36,;7.83,-22.84,;6.91,-21.6,;7.81,-20.34,;7.33,-18.88,;8.34,-17.73,;7.86,-16.27,;6.36,-15.96,;5.33,-17.11,;5.81,-18.57,;9.29,-20.81,)|
CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:12.16,wD:9.9,(19.88,-14.05,;18.55,-13.27,;18.56,-11.73,;17.21,-14.03,;17.2,-15.57,;15.87,-16.33,;14.54,-15.55,;14.54,-14.01,;15.88,-13.25,;13.21,-16.32,;11.88,-15.54,;10.54,-16.31,;10.55,-17.85,;11.88,-18.62,;13.2,-17.85,;9.22,-18.62,;9.22,-20.16,;10.55,-20.92,;10.56,-22.47,;9.22,-23.24,;7.89,-22.47,;6.42,-22.96,;5.51,-21.72,;6.41,-20.46,;5.92,-19,;6.94,-17.84,;6.46,-16.39,;4.95,-16.07,;3.93,-17.22,;4.41,-18.69,;7.88,-20.93,)|
CN(C)[C@H]1CC[C@@H](CC1)Oc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:6.9,wD:3.2,(15.7,-16.67,;14.37,-15.9,;14.37,-14.36,;13.03,-16.66,;11.7,-15.89,;10.36,-16.66,;10.37,-18.2,;11.7,-18.97,;13.02,-18.2,;9.04,-18.97,;9.04,-20.51,;10.37,-21.27,;10.38,-22.82,;9.04,-23.59,;7.71,-22.82,;6.24,-23.3,;5.33,-22.07,;6.23,-20.81,;5.74,-19.35,;6.76,-18.19,;6.28,-16.74,;4.77,-16.42,;3.75,-17.57,;4.23,-19.04,;7.7,-21.28,)|
CN(C)[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:6.9,wD:3.2,(14.29,-16.13,;12.96,-15.36,;12.96,-13.82,;11.62,-16.12,;10.29,-15.35,;8.95,-16.12,;8.96,-17.66,;10.29,-18.42,;11.62,-17.66,;7.63,-18.43,;6.3,-17.66,;7.63,-19.96,;8.97,-20.73,;8.97,-22.28,;7.64,-23.05,;6.3,-22.28,;4.84,-22.76,;3.92,-21.52,;4.82,-20.26,;4.34,-18.8,;5.35,-17.65,;4.87,-16.2,;3.37,-15.88,;2.34,-17.03,;2.82,-18.49,;6.3,-20.73,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCCOC3)c12 |r,wU:6.9,wD:3.2,(15.69,-16,;14.36,-15.23,;14.36,-13.69,;13.02,-16,;11.69,-15.22,;10.35,-15.99,;10.36,-17.53,;11.69,-18.3,;13.02,-17.54,;9.03,-18.3,;9.03,-19.84,;10.36,-20.6,;10.37,-22.15,;9.03,-22.92,;7.7,-22.15,;6.23,-22.64,;5.32,-21.4,;6.22,-20.14,;5.73,-18.68,;6.75,-17.53,;6.27,-16.07,;4.77,-15.75,;3.74,-16.9,;4.22,-18.37,;7.7,-20.61,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOC3)c12 |r,wU:6.9,wD:3.2,(16.33,-18.27,;15,-17.5,;15.01,-15.96,;13.67,-18.26,;12.34,-17.49,;11,-18.26,;11.01,-19.8,;12.33,-20.57,;13.66,-19.8,;9.67,-20.57,;9.68,-22.11,;11.01,-22.87,;11.01,-24.42,;9.68,-25.19,;8.35,-24.42,;6.88,-24.9,;5.96,-23.67,;6.86,-22.41,;6.38,-20.95,;7.28,-19.69,;6.36,-18.45,;4.9,-18.94,;4.92,-20.47,;8.34,-22.88,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCCO3)c12 |r,wU:6.9,wD:3.2,(18.06,-17.38,;16.73,-16.61,;16.74,-15.07,;15.4,-17.37,;14.07,-16.6,;12.73,-17.37,;12.74,-18.91,;14.07,-19.67,;15.39,-18.91,;11.41,-19.68,;11.41,-21.22,;12.74,-21.98,;12.75,-23.53,;11.41,-24.3,;10.08,-23.53,;8.61,-24.01,;7.7,-22.77,;8.6,-21.51,;8.11,-20.05,;9.01,-18.79,;8.1,-17.56,;6.64,-18.04,;6.65,-19.58,;10.07,-21.98,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCCC3)c12 |r,wU:6.9,wD:3.2,(17.96,-17.39,;16.63,-16.62,;16.63,-15.08,;15.29,-17.38,;13.96,-16.61,;12.62,-17.38,;12.63,-18.92,;13.96,-19.69,;15.29,-18.92,;11.3,-19.69,;11.3,-21.23,;12.63,-21.99,;12.64,-23.54,;11.3,-24.31,;9.97,-23.54,;8.5,-24.03,;7.59,-22.79,;8.49,-21.53,;8,-20.07,;8.9,-18.81,;7.99,-17.57,;6.52,-18.05,;6.54,-19.59,;9.96,-22,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CC3)c12 |r,wU:6.9,wD:3.2,(15.74,-18.12,;14.41,-17.35,;14.42,-15.81,;13.08,-18.12,;11.74,-17.34,;10.41,-18.11,;10.42,-19.65,;11.74,-20.42,;13.07,-19.66,;9.08,-20.42,;9.09,-21.96,;10.42,-22.72,;10.42,-24.27,;9.09,-25.04,;7.76,-24.27,;6.29,-24.76,;5.37,-23.52,;6.27,-22.26,;5.79,-20.8,;6.1,-19.28,;4.64,-19.77,;7.75,-22.73,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(c12)C(F)(F)F |r,wU:6.9,wD:3.2,(15.74,-17.32,;14.41,-16.55,;14.42,-15.01,;13.08,-17.31,;11.75,-16.54,;10.41,-17.31,;10.42,-18.85,;11.74,-19.61,;13.07,-18.85,;9.08,-19.62,;9.09,-21.16,;10.42,-21.92,;10.43,-23.47,;9.09,-24.24,;7.76,-23.47,;6.29,-23.95,;5.38,-22.71,;6.27,-21.45,;7.75,-21.92,;5.79,-19.99,;6.81,-18.84,;4.28,-19.68,;5.38,-18.5,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(c12)C(C)(C)C |r,wU:6.9,wD:3.2,(16.84,-19.63,;15.51,-18.86,;15.52,-17.32,;14.18,-19.62,;12.85,-18.85,;11.51,-19.62,;11.52,-21.16,;12.85,-21.93,;14.17,-21.16,;10.19,-21.93,;10.19,-23.47,;11.52,-24.23,;11.53,-25.78,;10.19,-26.55,;8.86,-25.78,;7.39,-26.26,;6.48,-25.02,;7.38,-23.77,;8.85,-24.23,;6.89,-22.31,;7.91,-21.16,;5.38,-22,;6.11,-20.97,)|
CCc1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:11.10,wD:14.17,(5.93,-20.34,;4.91,-21.49,;5.4,-22.95,;4.5,-24.21,;5.41,-25.45,;6.88,-24.96,;8.21,-25.73,;9.55,-24.96,;9.54,-23.42,;8.21,-22.65,;8.21,-21.11,;9.54,-20.34,;9.53,-18.8,;10.87,-18.04,;12.2,-18.81,;12.19,-20.35,;10.87,-21.11,;13.53,-18.04,;14.86,-18.82,;13.54,-16.51,;6.87,-23.42,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]ccc12 |r,wU:6.9,wD:3.2,(14.86,-18.82,;13.53,-18.04,;13.54,-16.5,;12.2,-18.81,;10.87,-18.04,;9.53,-18.8,;9.54,-20.34,;10.87,-21.11,;12.19,-20.35,;8.21,-21.11,;8.21,-22.65,;9.54,-23.41,;9.55,-24.96,;8.21,-25.73,;6.88,-24.96,;5.41,-25.45,;4.5,-24.21,;5.4,-22.95,;6.87,-23.42,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]c(C)cc12 |r,wU:6.9,wD:3.2,(14.23,-16.31,;12.9,-15.54,;12.9,-14,;11.56,-16.31,;10.23,-15.53,;8.89,-16.3,;8.9,-17.84,;10.23,-18.61,;11.56,-17.85,;7.57,-18.61,;7.57,-20.15,;8.9,-20.91,;8.91,-22.46,;7.57,-23.23,;6.24,-22.46,;4.77,-22.95,;3.86,-21.71,;2.32,-21.72,;4.76,-20.45,;6.23,-20.92,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]c(C)c(C)c12 |r,wU:6.9,wD:3.2,(14.86,-14.68,;13.53,-13.91,;13.54,-12.37,;12.2,-14.68,;10.87,-13.9,;9.53,-14.67,;9.54,-16.21,;10.87,-16.98,;12.19,-16.21,;8.21,-16.98,;8.21,-18.52,;9.54,-19.28,;9.55,-20.83,;8.21,-21.6,;6.88,-20.83,;5.41,-21.32,;4.5,-20.08,;2.96,-20.09,;5.4,-18.82,;4.91,-17.36,;6.87,-19.29,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]c3CCCc3c12 |r,wU:6.9,wD:3.2,(14.89,-12.32,;13.56,-11.55,;13.57,-10.01,;12.23,-12.31,;10.9,-11.54,;9.56,-12.31,;9.57,-13.84,;10.9,-14.61,;12.22,-13.85,;8.24,-14.61,;8.25,-16.15,;9.58,-16.91,;9.58,-18.45,;8.25,-19.22,;6.92,-18.46,;5.45,-18.94,;4.54,-17.7,;3.07,-17.24,;3.06,-15.69,;4.52,-15.2,;5.44,-16.44,;6.91,-16.91,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2scc(C)c12 |r,wU:6.9,wD:3.2,(12.8,-14.66,;11.47,-13.89,;11.47,-12.35,;10.13,-14.65,;8.8,-13.88,;7.46,-14.65,;7.47,-16.19,;8.8,-16.95,;10.13,-16.19,;6.14,-16.96,;6.14,-18.5,;7.47,-19.26,;7.48,-20.81,;6.14,-21.58,;4.81,-20.81,;3.34,-21.29,;2.43,-20.05,;3.32,-18.8,;2.83,-17.34,;4.81,-19.26,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc(C)cc12 |r,wU:6.9,wD:3.2,(14.77,-13.73,;13.44,-12.96,;13.45,-11.42,;12.11,-13.72,;10.78,-12.95,;9.44,-13.72,;9.45,-15.26,;10.77,-16.02,;12.1,-15.26,;8.11,-16.03,;8.12,-17.57,;9.45,-18.33,;9.45,-19.88,;8.12,-20.65,;6.79,-19.88,;5.32,-20.36,;4.4,-19.12,;2.87,-19.14,;5.3,-17.87,;6.78,-18.33,)|
CN(C)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:14.18,wD:11.11,(20.28,-15.59,;20.29,-14.05,;21.63,-13.29,;18.96,-13.27,;18.97,-11.73,;17.62,-14.03,;17.61,-15.57,;16.28,-16.33,;14.96,-15.55,;14.95,-14.01,;16.3,-13.25,;13.62,-16.32,;12.29,-15.54,;10.95,-16.31,;10.96,-17.85,;12.29,-18.62,;13.62,-17.86,;9.63,-18.62,;9.63,-20.16,;10.96,-20.92,;10.97,-22.47,;9.63,-23.24,;8.3,-22.47,;6.83,-22.96,;5.92,-21.72,;6.82,-20.46,;6.33,-19,;7.35,-17.85,;6.87,-16.39,;5.36,-16.07,;4.34,-17.22,;4.82,-18.69,;8.29,-20.93,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCC3)c12 |r,wU:6.9,wD:3.2,(14.47,-18.02,;13.14,-17.24,;13.15,-15.7,;11.81,-18.01,;10.48,-17.24,;9.14,-18,;9.15,-19.55,;10.47,-20.31,;11.8,-19.55,;7.81,-20.32,;7.81,-21.86,;9.15,-22.62,;9.15,-24.17,;7.82,-24.94,;6.49,-24.17,;5.02,-24.65,;4.1,-23.41,;5,-22.15,;4.52,-20.69,;5.2,-19.31,;3.82,-18.63,;3.13,-20,;6.48,-22.62,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C)c12 |r,wU:6.9,wD:3.2,(14.98,-17.83,;13.65,-17.06,;13.66,-15.52,;12.32,-17.82,;10.98,-17.05,;9.64,-17.82,;9.65,-19.36,;10.98,-20.12,;12.31,-19.36,;8.32,-20.13,;8.32,-21.67,;9.66,-22.43,;9.66,-23.98,;8.33,-24.75,;6.99,-23.98,;5.53,-24.46,;4.61,-23.22,;5.51,-21.96,;5.03,-20.5,;6.99,-22.43,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sccc12 |r,wU:6.9,wD:3.2,(12.8,-14.66,;11.47,-13.89,;11.47,-12.35,;10.13,-14.65,;8.8,-13.88,;7.46,-14.65,;7.47,-16.19,;8.8,-16.95,;10.13,-16.19,;6.14,-16.96,;6.14,-18.49,;7.47,-19.26,;7.48,-20.81,;6.14,-21.58,;4.81,-20.81,;3.34,-21.29,;2.43,-20.05,;3.32,-18.79,;4.81,-19.26,)|
CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4
CC(C)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:12.11,wD:15.18,(7.92,-21.16,;6.89,-22.31,;5.39,-22.01,;7.38,-23.77,;6.48,-25.04,;7.39,-26.27,;8.86,-25.79,;10.2,-26.56,;11.53,-25.79,;11.53,-24.24,;10.19,-23.48,;10.19,-21.94,;11.52,-21.17,;11.51,-19.63,;12.85,-18.86,;14.19,-19.63,;14.18,-21.17,;12.85,-21.94,;15.52,-18.87,;16.85,-19.64,;15.53,-17.33,;8.86,-24.24,)|
CNC(=O)c1cnc(Nc2ccc3N(C)C(=O)Cc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
NC(=O)c1cnc(Nc2ccccc2)cc1NCc1ccccc1
NC(=O)c1cnc(Nc2ccccc2)cc1N[C@H](CO)Cc1ccccc1 |r|
c1ccc(cc1)CNc2cc(ncc2C(=O)N)Nc3ccc4c(c3)CC(=O)N4
NC(=O)c1cnc(Nc2ccc3[nH]ncc3c2)cc1NCc1ccccc1
CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3cc(c(cn3)C(=O)N)NCc4ccccc4
NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCc1cc(F)ccc1F
NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)Cc1ccccc1 |r|
COCCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)Cc1ccccc1 |r|
CN(C)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)Cc1ccccc1 |r|
OC[C@H](Cc1ccccc1)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC1CC1 |r|
CN(C)C(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)Cc1ccccc1 |r|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H]1CCCC[C@H]1O |r|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCCC[C@H]1O |r|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCCC[C@@H]1O |r|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CC[C@H](O)CC1 |r,wU:21.23,wD:24.27,(18.28,-17.49,;19.61,-18.26,;20.95,-17.49,;20.95,-15.95,;22.28,-18.26,;22.28,-19.81,;23.62,-20.58,;24.95,-19.81,;26.29,-20.57,;27.62,-19.8,;27.61,-18.27,;28.94,-17.49,;30.28,-18.26,;31.74,-17.78,;32.65,-19.02,;31.75,-20.26,;30.29,-19.79,;28.95,-20.57,;24.95,-18.26,;23.61,-17.49,;23.6,-15.94,;24.94,-15.18,;24.93,-13.64,;26.27,-12.87,;27.6,-13.64,;28.94,-12.87,;27.6,-15.18,;26.27,-15.95,)|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCC[C@H](O)C1 |r|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CC[C@@H](CC1)NC(C)=O |r,wU:21.23,wD:24.30,(.12,-28.14,;1.45,-28.91,;2.79,-28.14,;2.79,-26.6,;4.12,-28.91,;4.12,-30.46,;5.45,-31.23,;6.79,-30.46,;8.12,-31.22,;9.46,-30.45,;9.45,-28.91,;10.77,-28.14,;12.12,-28.91,;13.57,-28.43,;14.48,-29.66,;13.58,-30.91,;12.12,-30.44,;10.79,-31.22,;6.78,-28.9,;5.45,-28.14,;5.44,-26.59,;6.78,-25.83,;6.76,-24.29,;8.1,-23.52,;9.44,-24.29,;9.44,-25.83,;8.11,-26.6,;10.77,-23.52,;12.11,-24.29,;13.44,-23.52,;12.1,-25.83,)|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H]1[C@@H](O)Cc2ccccc12 |r|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)CC(C)C |r|
NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CNC(=O)c1cnc(Nc2ccc3[nH]ncc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CNC(=O)c1cnc(Nc2ccc(F)cc2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CNC(=O)c1cnc(Nc2ccc3n(C)ncc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CNC(=O)c1cnc(Nc2ccc3NC(=O)Cc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CNC(=O)c1cnc(Nc2ccc(OC)cc2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CNC(=O)c1cnc(Nc2ccc(OC)c(F)c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CNC(=O)c1cnc(Nc2ccc(cc2)C#N)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCCC1
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCCO
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCC[C@@H](O)C1 |r|
NC(=O)c1cnc(Nc2ccccc2)cc1N[C@H](CO)c1ccccc1 |r|
NC(=O)c1ccc(Nc2cc(NCc3ccccc3)c(cn2)C(N)=O)cc1
CNC(=O)c1cnc(cc1N[C@@H](Cc2ccccc2)CO)Nc3ccc4c(c3)scn4
OC[C@H](Cc1ccccc1)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CC1 |r|
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Clc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCOCC1
COc1cc(ccc1NC(=O)c1cccc(n1)-c1cnn(C)c1)N1CCN(C)CC1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1ccccc1Cl
Clc1ccccc1NC(=O)c1cccc(n1)-c1cn[nH]c1
Clc1ccccc1NC(=O)c1cccc(n1)-c1cc[nH]n1
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccccc1Cl
Clc1ccccc1NC(=O)c1cccc(n1)-c1cncnc1
Clc1ccccc1NC(=O)c1cccc(n1)-c1cncs1
Clc1ccccc1NC(=O)c1cccc(n1)-c1cccnc1
COc1cc(ccc1NC(=O)c1csc(n1)-c1cccnc1)N1CCN(C)CC1
COc1cc(ccc1NC(=O)c1csc(n1)-c1cccnc1)N1CCOCC1
COc1ccc(NC(=O)c2csc(n2)-c2cccnc2)c(OC)c1
Cc1cccc(C)c1NC(=O)c1csc(n1)-c1cccnc1
Clc1cccc(Cl)c1NC(=O)c1csc(n1)-c1cccnc1
O=C(Nc1ccc(cc1)N1CCOCC1)c1csc(n1)-c1cccnc1
CN1CCN(CC1)c1ccc(NC(=O)c2csc(n2)-c2cccnc2)cc1
O=C(Nc1ccc(cc1)N1CCCCC1)c1csc(n1)-c1cccnc1
COc1ccc(NC(=O)c2csc(n2)-c2cccnc2)cc1
COc1cccc(NC(=O)c2csc(n2)-c2cccnc2)c1
Cc1cccc(NC(=O)c2csc(n2)-c2cccnc2)c1
FC(F)Oc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
COc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
CC(C)c1ccccc1NC(=O)c1csc(n1)-c1cccnc1
Cc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
O=C(Nc1ccccc1)c1csc(n1)-c1cccnc1
[O-][n+]1cccc(c1)-c1nc(cs1)C(=O)Nc1ccccc1Cl
C1CNC[C@H](C1)Nc1cccc(n1)-c1cnc2ccccn12
C1CC(CN1)Nc1cccc(n1)-c1cnc2ccccn12 |w:2.5|
C1NCC1Nc1cccc(n1)-c1cnc2ccccn12
C(Nc1cccc(n1)-c1cnc2ccccn12)C1CCNCC1
C1C[C@@H]2CC(C[C@H]1N2)Nc1cccc(n1)-c1cnc2ccccn12 |w:4.9,TEB:8:4:7:0.1|
NCCCNc1cccc(n1)-c1cnc2ccccn12
CN(C)CCCNc1cccc(n1)-c1cnc2ccccn12
Cn1cnc(CNc2cccc(n2)-c2cnc3ccccn23)c1
Cn1nccc1Nc1cccc(n1)-c1cnc2ccccn12
N#Cc1ccccc1Nc1cccc(n1)-c1cnc2ccccn12
N(c1ccccc1)c1cccc(n1)-c1cnc2ccccn12
CN(C)C(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
O=C(N1CCOCC1)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
NC(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1ccc[nH]1
C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1cc[nH]n1
Cn1cc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
COc1ccc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
N#Cc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
COc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Cc1ccc2n(cnc2c1)-c1cccc(NC2CCNCC2)n1
Cc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
Clc1cc2ncn(-c3cccc(NC4CCNCC4)n3)c2cc1Cl
Clc1ccc2n(cnc2c1)-c1cccc(NC2CCNCC2)n1
Clc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
COc1cc2ncn(-c3cccc(NC4CCNCC4)n3)c2cc1OC
COc1ccc2n(cnc2c1)-c1cccc(NC2CCNCC2)n1
COc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
N#Cc1ccc2ncc(-c3cccc(N[C@@H]4CCCNC4)n3)n2c1
Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1 |w:14.13|
Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1 |w:14.13|
C1CNCCN(C1)c1cccc(n1)-c1cnc2ccccn12
NC1CCCN(C1)c1cccc(n1)-c1cnc2ccccn12 |w:1.0|
NC1CCN(CC1)c1cccc(n1)-c1cnc2ccccn12
COc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
Clc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
C1N[C@@H]2C[C@H]1N(C2)c1cccc(n1)-c1cnc2ccccn12 |THB:7:5:3:0.1|
C(Nc1cccc(n1)-c1cnc2ccccn12)C1CCCN1 |w:17.19|
CN1[C@H]2CC[C@@H]1CC(C2)Nc1cccc(n1)-c1cnc2ccccn12 |w:7.10,TEB:9:7:1:3.4|
COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(OC)c1 |w:14.15|
COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccnc1 |w:14.15|
COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccccc1 |w:14.15|
CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5
Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2cccc(F)c2F)c1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4F)c3)sn2)C1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccs4)c3)sn2)C1
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5
N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 |r,wU:25.26,wD:22.22,(34.44,-4.96,;33.51,-3.74,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)|
Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CNC(=O)C[C@@H](C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(=O)OC)c12 |r,wU:19.22,wD:16.15,5.5,(12.56,-6.18,;11.05,-5.87,;10.03,-7.02,;8.52,-6.71,;10.51,-8.48,;9.49,-9.63,;7.98,-9.32,;9.97,-11.09,;9.07,-12.34,;9.98,-13.58,;11.44,-13.1,;12.78,-13.87,;14.12,-13.1,;14.11,-11.55,;12.77,-10.79,;12.77,-9.25,;14.1,-8.47,;15.44,-9.25,;16.76,-8.48,;16.77,-6.93,;15.44,-6.15,;14.1,-6.94,;18.09,-6.18,;18.11,-4.64,;19.46,-3.88,;20.78,-4.68,;20.76,-6.23,;19.41,-6.97,;22.13,-3.93,;22.16,-2.39,;23.45,-4.73,;23.43,-6.27,;11.44,-11.56,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccsc12 |r,wU:6.9,wD:3.2,(15.72,-3.54,;15.71,-5.08,;17.03,-5.85,;14.38,-5.84,;13.05,-5.07,;11.71,-5.84,;11.71,-7.38,;13.05,-8.15,;14.37,-7.39,;10.38,-8.15,;10.39,-9.69,;11.72,-10.45,;11.73,-12,;10.39,-12.78,;9.06,-12.01,;7.59,-12.49,;6.69,-11.25,;7.58,-10,;9.05,-10.47,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccn(C)c12 |r,wU:6.9,wD:3.2,(13.67,-2.39,;13.66,-3.93,;14.98,-4.7,;12.34,-4.69,;11,-3.92,;9.66,-4.69,;9.67,-6.23,;11.01,-7,;12.33,-6.23,;8.34,-7,;8.34,-8.54,;9.68,-9.3,;9.68,-10.85,;8.34,-11.62,;7.01,-10.85,;5.55,-11.34,;4.64,-10.09,;5.54,-8.85,;5.05,-7.38,;7,-9.32,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:15.18,wD:12.11,(6.08,-6.23,;5.05,-7.38,;3.54,-7.07,;5.54,-8.85,;4.64,-10.09,;5.55,-11.34,;7.01,-10.85,;8.34,-11.62,;9.68,-10.85,;9.68,-9.3,;8.34,-8.54,;8.34,-7,;9.67,-6.22,;11.01,-7,;12.33,-6.23,;12.34,-4.69,;11,-3.92,;9.66,-4.69,;13.66,-3.93,;13.67,-2.39,;14.98,-4.7,;7,-9.32,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc([C@@H]3CC[C@@H](CC3)C(N)=O)c12 |r,wU:6.9,18.18,21.25,wD:3.2,(20.05,-3.3,;20.04,-4.83,;21.35,-5.6,;18.71,-5.59,;17.38,-4.82,;16.05,-5.59,;16.05,-7.12,;17.39,-7.89,;18.7,-7.13,;14.72,-7.89,;14.73,-9.43,;16.06,-10.19,;16.07,-11.74,;14.73,-12.51,;13.4,-11.74,;11.95,-12.22,;11.04,-10.98,;11.93,-9.73,;11.15,-8.4,;11.92,-7.05,;11.15,-5.72,;9.6,-5.72,;8.83,-7.07,;9.61,-8.41,;8.83,-4.39,;7.29,-4.4,;9.59,-3.06,;13.4,-10.2,)|
CN(C)[C@H]1CC[C@@H](CC1)Oc1ncnn2ccc([C@H]3CC[C@@H](CC3)C(N)=O)c12 |r,wU:3.2,18.18,wD:6.9,21.25,(21.65,-3.4,;21.64,-4.93,;22.95,-5.7,;20.32,-5.69,;20.3,-7.23,;18.99,-7.99,;17.65,-7.22,;17.65,-5.69,;18.98,-4.92,;16.33,-7.99,;16.33,-9.53,;17.66,-10.29,;17.67,-11.83,;16.34,-12.6,;15.01,-11.84,;13.55,-12.32,;12.64,-11.08,;13.54,-9.83,;12.75,-8.5,;11.21,-8.51,;10.43,-7.17,;11.2,-5.82,;12.75,-5.82,;13.52,-7.15,;10.43,-4.49,;8.9,-4.5,;11.2,-3.16,;15,-10.3,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.18,wD:12.11,(14.12,-7.25,;13.09,-8.4,;11.59,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.71,-5.71,;21.7,-4.96,;23.02,-5.74,;24.37,-5,;24.39,-3.45,;23.07,-2.65,;21.72,-3.41,;15.05,-10.33,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H](C)CC(N)=O)c12 |r,wU:10.10,wD:13.17,25.27,(23.43,-6.27,;23.45,-4.73,;22.13,-3.93,;22.16,-2.39,;20.78,-4.68,;19.46,-3.88,;18.11,-4.64,;18.09,-6.18,;19.41,-6.97,;20.76,-6.23,;16.77,-6.93,;16.76,-8.48,;15.44,-9.25,;14.1,-8.47,;14.1,-6.94,;15.44,-6.15,;12.77,-9.25,;12.77,-10.79,;14.11,-11.55,;14.12,-13.1,;12.78,-13.87,;11.44,-13.1,;9.98,-13.58,;9.07,-12.34,;9.97,-11.09,;9.49,-9.63,;7.98,-9.32,;10.51,-8.48,;10.03,-7.02,;11.05,-5.87,;8.52,-6.71,;11.44,-11.56,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H](C)CC(=O)N(C)C)c12 |r,wU:10.10,wD:13.17,25.27,(23.43,-6.27,;23.45,-4.73,;22.13,-3.93,;22.16,-2.39,;20.78,-4.68,;19.46,-3.88,;18.11,-4.64,;18.09,-6.18,;19.41,-6.97,;20.76,-6.23,;16.77,-6.93,;16.76,-8.48,;15.44,-9.25,;14.1,-8.47,;14.1,-6.94,;15.44,-6.15,;12.77,-9.25,;12.77,-10.79,;14.11,-11.55,;14.12,-13.1,;12.78,-13.87,;11.44,-13.1,;9.98,-13.58,;9.07,-12.34,;9.97,-11.09,;9.49,-9.63,;7.98,-9.32,;10.51,-8.48,;10.03,-7.02,;8.52,-6.71,;11.05,-5.87,;12.56,-6.18,;10.57,-4.41,;11.44,-11.56,)|
C1CC(CCO1)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:18.22,wD:15.15,(13.65,-5.79,;14.12,-7.25,;13.09,-8.4,;11.59,-8.09,;11.11,-6.62,;12.14,-5.47,;13.57,-9.86,;12.68,-11.11,;13.58,-12.35,;15.04,-11.87,;16.38,-12.64,;17.72,-11.87,;17.71,-10.32,;16.38,-9.55,;16.37,-8.01,;17.7,-7.24,;19.04,-8.01,;20.36,-7.25,;20.36,-5.7,;19.04,-4.92,;17.7,-5.71,;21.69,-4.95,;23.01,-5.74,;24.36,-5,;24.38,-3.45,;23.05,-2.65,;21.71,-3.41,;15.04,-10.33,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)|
CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)|
CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H]3CC[C@@H](CC3)C(N)=O)c12 |r,wU:24.25,9.9,wD:12.16,27.32,(22.23,-3.91,;20.91,-3.12,;20.94,-1.58,;19.56,-3.86,;18.24,-3.07,;16.89,-3.82,;16.87,-5.37,;18.19,-6.16,;19.54,-5.41,;15.54,-6.12,;15.54,-7.66,;14.22,-8.43,;12.88,-7.66,;12.88,-6.12,;14.22,-5.33,;11.55,-8.43,;11.55,-9.97,;12.89,-10.73,;12.89,-12.28,;11.56,-13.06,;10.22,-12.28,;8.76,-12.77,;7.85,-11.53,;8.75,-10.28,;8.26,-8.81,;6.77,-8.5,;6.29,-7.04,;7.32,-5.89,;8.82,-6.21,;9.3,-7.66,;6.84,-4.42,;7.87,-3.28,;5.33,-4.11,;10.22,-10.75,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C(C)C)c12 |r,wU:10.10,wD:13.17,(23.42,-6.27,;23.45,-4.73,;22.13,-3.93,;22.16,-2.39,;20.78,-4.68,;19.46,-3.88,;18.11,-4.64,;18.09,-6.18,;19.41,-6.97,;20.76,-6.23,;16.77,-6.93,;16.76,-8.48,;15.44,-9.25,;14.1,-8.47,;14.1,-6.94,;15.44,-6.15,;12.77,-9.25,;12.77,-10.79,;14.11,-11.55,;14.12,-13.1,;12.78,-13.87,;11.44,-13.1,;9.98,-13.58,;9.07,-12.34,;9.97,-11.09,;9.49,-9.63,;7.98,-9.32,;10.51,-8.48,;11.44,-11.56,)|
CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCC(CC4)C(=O)N
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2cc[nH]c12 |r,wU:6.9,wD:3.2,(15.72,-3.54,;15.71,-5.08,;17.03,-5.85,;14.38,-5.84,;13.05,-5.07,;11.71,-5.84,;11.71,-7.38,;13.05,-8.15,;14.37,-7.39,;10.38,-8.15,;10.39,-9.69,;11.72,-10.45,;11.73,-12,;10.39,-12.78,;9.06,-12.01,;7.59,-12.49,;6.69,-11.25,;7.58,-10,;9.05,-10.47,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnn2cccc12 |r,wU:3.2,wD:6.9,(15.71,-3.54,;15.71,-5.08,;17.02,-5.85,;14.38,-5.84,;14.37,-7.38,;13.05,-8.15,;11.71,-7.37,;11.71,-5.84,;13.04,-5.07,;10.38,-8.15,;10.38,-9.69,;11.72,-10.45,;11.72,-12,;10.39,-12.77,;9.05,-12,;7.59,-12.48,;6.68,-11.24,;7.58,-9.99,;9.05,-10.46,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C)c12 |r,wU:3.2,wD:6.9,(13.67,-2.39,;13.66,-3.93,;14.98,-4.7,;12.34,-4.69,;12.33,-6.23,;11.01,-7,;9.67,-6.22,;9.66,-4.69,;11,-3.92,;8.34,-7,;8.34,-8.54,;9.68,-9.3,;9.68,-10.85,;8.34,-11.62,;7.01,-10.85,;5.55,-11.34,;4.64,-10.09,;5.54,-8.85,;5.05,-7.38,;7,-9.32,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H]3CC[C@@H](CC3)C(N)=O)c12 |r,wU:6.9,21.25,wD:3.2,18.18,(21.65,-3.4,;21.64,-4.93,;22.95,-5.7,;20.32,-5.69,;18.98,-4.92,;17.65,-5.69,;17.65,-7.22,;18.99,-7.99,;20.3,-7.23,;16.33,-7.99,;16.33,-9.53,;17.66,-10.29,;17.67,-11.83,;16.34,-12.6,;15.01,-11.84,;13.55,-12.32,;12.64,-11.08,;13.54,-9.83,;12.75,-8.5,;13.52,-7.15,;12.75,-5.82,;11.2,-5.82,;10.43,-7.17,;11.21,-8.51,;10.43,-4.49,;8.9,-4.5,;11.2,-3.16,;15,-10.3,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccn(C3CCOCC3)c12 |r,wU:6.9,wD:3.2,(13.67,-2.39,;13.66,-3.93,;14.98,-4.7,;12.34,-4.69,;11,-3.92,;9.66,-4.69,;9.67,-6.22,;11.01,-7,;12.33,-6.23,;8.34,-7,;8.34,-8.54,;9.68,-9.3,;9.68,-10.85,;8.34,-11.62,;7.01,-10.85,;5.55,-11.34,;4.64,-10.09,;5.54,-8.85,;5.05,-7.38,;6.08,-6.23,;5.6,-4.77,;4.1,-4.45,;3.07,-5.6,;3.55,-7.07,;7,-9.32,)|
C[C@H](CC(=O)N)c1ccn2c1c(ncn2)NC3CCC(CC3)N4CCN(CC4)C(=O)C
C[C@@H](CC(N)=O)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:18.21,1.0,wD:15.14,(7.98,-9.32,;9.49,-9.63,;10.51,-8.48,;10.03,-7.02,;11.05,-5.87,;8.52,-6.71,;9.97,-11.09,;9.07,-12.34,;9.98,-13.58,;11.44,-13.1,;12.78,-13.87,;14.12,-13.1,;14.11,-11.55,;12.77,-10.79,;12.77,-9.25,;14.1,-8.47,;15.44,-9.25,;16.76,-8.48,;16.77,-6.93,;15.44,-6.15,;14.1,-6.94,;18.09,-6.18,;18.11,-4.64,;19.46,-3.88,;20.78,-4.68,;20.76,-6.23,;19.41,-6.97,;22.13,-3.93,;23.45,-4.73,;22.16,-2.39,;11.44,-11.56,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccoc12 |r,wU:6.9,wD:3.2,(15.72,-3.54,;15.71,-5.08,;17.03,-5.85,;14.38,-5.84,;13.05,-5.07,;11.71,-5.84,;11.71,-7.38,;13.05,-8.15,;14.37,-7.39,;10.38,-8.15,;10.39,-9.69,;11.72,-10.45,;11.73,-12,;10.39,-12.78,;9.06,-12.01,;7.59,-12.49,;6.69,-11.25,;7.58,-10,;9.05,-10.47,)|
CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:3.2,wD:6.9,(13.67,-2.39,;13.66,-3.93,;14.98,-4.7,;12.34,-4.69,;12.32,-6.23,;11.01,-7,;9.67,-6.22,;9.66,-4.69,;11,-3.92,;8.34,-7,;8.34,-8.54,;9.68,-9.3,;9.68,-10.85,;8.34,-11.62,;7.01,-10.85,;5.55,-11.33,;4.64,-10.09,;5.54,-8.84,;5.05,-7.38,;6.08,-6.23,;5.6,-4.77,;4.1,-4.45,;3.07,-5.6,;3.55,-7.07,;7,-9.31,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@@H]3CC[C@@H](CC3)C(N)=O)c12 |r,wU:6.9,18.18,21.25,wD:3.2,(21.65,-3.4,;21.64,-4.93,;22.95,-5.7,;20.32,-5.69,;18.98,-4.92,;17.65,-5.69,;17.65,-7.22,;18.99,-7.99,;20.3,-7.23,;16.33,-7.99,;16.33,-9.53,;17.66,-10.29,;17.67,-11.83,;16.34,-12.6,;15.01,-11.84,;13.55,-12.32,;12.64,-11.08,;13.54,-9.83,;12.75,-8.5,;13.52,-7.15,;12.75,-5.82,;11.2,-5.82,;10.43,-7.17,;11.21,-8.51,;10.43,-4.49,;8.9,-4.5,;11.2,-3.16,;15,-10.3,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2cscc12 |r,wU:6.9,wD:3.2,(15.71,-3.54,;15.71,-5.08,;17.02,-5.85,;14.38,-5.84,;13.04,-5.07,;11.71,-5.84,;11.71,-7.37,;13.05,-8.15,;14.37,-7.38,;10.38,-8.15,;10.38,-9.69,;11.72,-10.45,;11.72,-12,;10.39,-12.77,;9.05,-12,;7.59,-12.48,;6.68,-11.24,;7.58,-9.99,;9.05,-10.46,)|
CC(C)(C)C(=O)Oc1ccc2n(c(NC(=O)c3cccc(c3)[N+]([O-])=O)nc2c1)-c1ccc(CCCO)cc1
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
OCCc1ccc(cc1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12
OC[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12 |r,wU:5.8,wD:2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
OC[C@H]1CC[C@@H](C1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12 |r|
O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCOCC3)ccc12 |r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
FC(F)(F)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1
O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 |r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
OCc1ccc2n([C@H]3CC[C@H](O)CC3)c(NC(=O)c3cccc(c3)[N+]([O-])=O)nc2c1 |r,wU:7.6,wD:10.10,(-4.78,.9,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;3.28,-6.88,;1.5,-5.26,;1.13,-3.76,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1
O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCC3=O)ccc12 |r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.17,-.78,;-6.68,-1.11,;-7.46,.21,;-6.44,1.37,;-6.7,2.57,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(C)(C)C(=O)Nc1ccc2n([C@@H]3CC[C@H](CO)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 |r,wD:12.11,15.15,(-7.45,.88,;-6.39,1.5,;-7.46,2.11,;-6.4,2.74,;-5.05,.74,;-5.04,-.49,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;3.36,-7.18,;4.54,-7.52,;1.5,-5.26,;1.13,-3.76,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
OCCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12
O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12 |r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2ccc(CO)cc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.81,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-3.72,-1.53,;-3.72,-2.76,;-1.03,-1.55,;.3,-.77,)|
OC[C@@H]1CC[C@@H](C1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12 |r|
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CCOCCOCCOCCOc4ccc5C(=O)N(C6CCCNC6=O)C(=O)c5c4)CC3)ccc12 |r,wD:5.8,2.1,(2.44,-26.99,;3.48,-28.12,;4.97,-27.78,;6.02,-28.91,;7.52,-28.57,;7.97,-27.1,;6.92,-25.98,;5.43,-26.32,;9.47,-26.76,;10.07,-25.34,;9.29,-24.02,;10.03,-22.68,;11.57,-22.66,;9.24,-21.37,;10,-20.03,;9.21,-18.71,;7.68,-18.74,;6.93,-20.09,;7.72,-21.4,;5.4,-20.12,;4.6,-18.8,;4.65,-21.46,;3.86,-20.12,;11.61,-25.48,;11.95,-26.98,;13.31,-27.72,;13.34,-29.26,;14.69,-30,;16.01,-29.2,;17.35,-29.95,;18.67,-29.16,;18.64,-27.62,;19.96,-26.82,;21.31,-27.57,;22.64,-26.77,;23.99,-27.52,;25.31,-26.72,;26.65,-27.47,;27.98,-26.67,;29.33,-27.42,;30.65,-26.62,;32,-27.37,;33.32,-26.57,;34.67,-27.32,;36,-26.53,;35.96,-24.99,;37.27,-24.19,;38.63,-24.94,;40.09,-24.44,;40.54,-22.96,;41.02,-25.66,;42.56,-25.62,;43.3,-24.27,;44.84,-24.24,;45.64,-25.57,;44.89,-26.92,;43.35,-26.94,;42.61,-28.29,;40.14,-26.92,;40.65,-28.38,;38.66,-26.48,;37.34,-27.27,;17.29,-26.87,;15.97,-27.67,;12.01,-30.06,;10.66,-29.32,;10.63,-27.78,)|
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CC4CCC(CC4)Oc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc12 |r,wD:5.8,2.1,(51.64,-48.34,;52.69,-49.47,;54.19,-49.13,;55.23,-50.26,;56.74,-49.92,;57.18,-48.45,;56.14,-47.32,;54.65,-47.66,;58.68,-48.11,;59.28,-46.69,;58.49,-45.37,;59.24,-44.02,;60.78,-44,;58.45,-42.7,;59.2,-41.36,;58.41,-40.04,;56.87,-40.06,;56.12,-41.42,;56.92,-42.73,;54.58,-41.45,;53.78,-40.13,;53.84,-42.8,;53.04,-41.44,;60.82,-46.83,;61.16,-48.33,;62.51,-49.06,;62.54,-50.6,;63.9,-51.34,;65.21,-50.54,;66.55,-51.29,;67.87,-50.5,;67.84,-48.96,;69.16,-48.16,;70.51,-48.91,;70.53,-50.45,;71.87,-51.19,;73.19,-50.41,;73.17,-48.86,;71.82,-48.11,;74.54,-51.16,;75.86,-50.37,;75.83,-48.84,;77.15,-48.04,;78.5,-48.79,;79.96,-48.3,;80.41,-46.82,;80.88,-49.53,;82.42,-49.5,;83.16,-48.16,;84.71,-48.14,;85.49,-49.47,;87.03,-49.45,;84.74,-50.81,;83.2,-50.83,;82.45,-52.17,;79.99,-50.79,;80.49,-52.24,;78.52,-50.33,;77.2,-51.12,;66.49,-48.21,;65.17,-49.01,;61.22,-51.41,;59.87,-50.66,;59.84,-49.12,)|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12 |r,wU:13.17,wD:10.10,(21.07,-6.37,;21.08,-4.84,;19.76,-4.06,;19.78,-2.53,;18.43,-4.81,;18.41,-6.35,;17.08,-7.11,;15.75,-6.33,;15.76,-4.79,;17.1,-4.03,;14.41,-7.08,;13.08,-6.31,;11.74,-7.07,;11.74,-8.6,;13.07,-9.39,;14.4,-8.62,;10.41,-9.37,;10.4,-10.92,;11.73,-11.69,;11.73,-13.23,;10.4,-14,;9.08,-13.23,;7.76,-14.01,;6.42,-13.26,;6.4,-11.71,;5.06,-10.97,;7.73,-10.93,;9.06,-11.69,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(nc12)C1(CC1)C#N |r,wU:13.17,wD:10.10,(22.38,-34.98,;22.4,-33.45,;21.08,-32.67,;21.09,-31.14,;19.74,-33.42,;19.73,-34.96,;18.39,-35.71,;17.07,-34.94,;17.07,-33.4,;18.41,-32.64,;15.73,-35.69,;14.39,-34.92,;13.05,-35.68,;13.06,-37.21,;14.39,-38,;15.72,-37.23,;11.72,-37.98,;11.72,-39.52,;13.05,-40.3,;13.05,-41.84,;14.38,-42.61,;15.7,-41.84,;15.86,-40.31,;17.36,-39.99,;18.12,-41.32,;19.65,-41.32,;17.1,-42.46,;11.72,-42.6,;10.39,-41.84,;9.07,-42.62,;7.73,-41.87,;7.71,-40.32,;9.04,-39.54,;10.38,-40.3,;6.37,-39.57,;5.6,-38.24,;7.14,-38.23,;5.06,-40.36,;3.75,-41.15,)|
Cn1cc(Nc2nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c3cc(ccc3n2)C#N)cn1 |r,wU:9.8,wD:12.15,(18.84,-28.34,;17.31,-28.34,;16.28,-29.49,;14.88,-28.86,;13.55,-29.63,;12.22,-28.86,;12.22,-27.32,;10.89,-26.54,;10.89,-25,;12.23,-24.23,;12.22,-22.69,;13.57,-21.93,;14.91,-22.7,;14.9,-24.25,;13.56,-25.01,;16.25,-21.95,;17.58,-22.73,;18.91,-21.97,;18.93,-20.43,;17.6,-19.64,;16.25,-20.41,;9.55,-27.32,;8.21,-26.56,;6.88,-27.34,;6.9,-28.89,;8.24,-29.64,;9.56,-28.86,;10.89,-29.63,;5.54,-26.6,;4.2,-25.84,;15.04,-27.33,;16.54,-27.01,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(nc12)C(C)(C)C#N |r,wU:13.17,wD:10.10,(66.33,-20.59,;66.34,-19.05,;65.02,-18.27,;65.03,-16.73,;63.68,-19.03,;63.66,-20.57,;62.33,-21.33,;61,-20.55,;61,-19,;62.35,-18.24,;59.66,-21.3,;58.32,-20.53,;56.97,-21.29,;56.98,-22.83,;58.31,-23.61,;59.65,-22.85,;55.64,-23.6,;55.64,-25.15,;56.97,-25.92,;56.97,-27.47,;58.3,-28.23,;59.63,-27.47,;59.79,-25.93,;61.29,-25.62,;62.06,-26.95,;63.59,-26.95,;61.03,-28.09,;55.64,-28.23,;54.31,-27.47,;52.98,-28.25,;51.64,-27.5,;51.62,-25.95,;52.95,-25.16,;54.29,-25.92,;50.28,-25.2,;50.26,-23.66,;48.94,-24.42,;48.96,-25.99,;47.65,-26.77,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(nc12)C#N |r,wU:13.17,wD:10.10,(50.96,-6.48,;50.97,-4.94,;49.65,-4.16,;49.66,-2.62,;48.31,-4.91,;48.29,-6.46,;46.96,-7.21,;45.63,-6.44,;45.63,-4.89,;46.98,-4.13,;44.29,-7.19,;42.95,-6.41,;41.6,-7.18,;41.61,-8.71,;42.94,-9.5,;44.28,-8.73,;40.27,-9.49,;40.27,-11.03,;41.6,-11.81,;41.6,-13.35,;42.93,-14.12,;44.26,-13.35,;44.42,-11.82,;45.92,-11.5,;46.69,-12.83,;48.22,-12.83,;45.66,-13.97,;40.27,-14.12,;38.94,-13.35,;37.62,-14.13,;36.28,-13.38,;36.26,-11.83,;37.59,-11.05,;38.93,-11.81,;34.92,-11.08,;33.58,-10.35,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)nc12 |r,wU:13.17,wD:10.10,(34.25,-6.67,;34.27,-5.14,;32.95,-4.36,;32.96,-2.83,;31.61,-5.11,;31.6,-6.65,;30.26,-7.41,;28.94,-6.63,;28.95,-5.09,;30.28,-4.33,;27.6,-7.38,;26.27,-6.61,;24.93,-7.37,;24.93,-8.9,;26.26,-9.69,;27.59,-8.92,;23.6,-9.67,;23.59,-11.21,;24.92,-11.99,;24.92,-13.53,;23.59,-14.29,;22.27,-13.53,;20.95,-14.31,;19.61,-13.56,;19.59,-12.01,;18.25,-11.25,;20.92,-11.23,;22.26,-11.99,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(59.5,-20.65,;59.52,-19.11,;58.19,-18.33,;58.21,-16.8,;56.86,-19.09,;56.84,-20.63,;55.5,-21.39,;54.18,-20.61,;54.18,-19.07,;55.52,-18.3,;52.83,-21.36,;51.5,-20.59,;50.15,-21.35,;50.16,-22.89,;51.49,-23.67,;52.82,-22.9,;48.82,-23.66,;48.82,-25.2,;50.15,-25.98,;50.15,-27.52,;51.48,-28.29,;52.81,-27.52,;52.97,-25.99,;54.47,-25.67,;55.24,-27,;56.77,-27,;54.21,-28.15,;48.82,-28.29,;47.49,-27.52,;46.16,-28.3,;44.82,-27.55,;44.8,-26,;46.13,-25.22,;47.47,-25.98,;43.46,-25.26,;42.13,-24.5,)|
CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(cc12)C#N |r,wU:12.16,wD:9.9,(39.73,-20.55,;38.4,-19.77,;38.42,-18.23,;37.07,-20.53,;37.05,-22.07,;35.71,-22.83,;34.39,-22.05,;34.39,-20.5,;35.73,-19.74,;33.04,-22.8,;31.71,-22.03,;30.36,-22.79,;30.37,-24.33,;31.7,-25.11,;33.03,-24.34,;29.03,-25.1,;29.02,-26.64,;30.36,-27.42,;30.36,-28.96,;31.69,-29.73,;33.02,-28.96,;33.18,-27.43,;34.68,-27.11,;35.45,-28.45,;36.98,-28.44,;34.42,-29.59,;29.02,-29.73,;27.69,-28.96,;26.37,-29.74,;25.03,-28.99,;25.01,-27.44,;26.34,-26.66,;27.68,-27.42,;23.67,-26.7,;22.33,-25.94,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(nc12)C(C)C#N |r,wU:13.17,wD:10.10,(44.3,-21.75,;44.32,-20.21,;42.99,-19.43,;43.01,-17.89,;41.66,-20.18,;41.64,-21.73,;40.3,-22.48,;38.98,-21.7,;38.98,-20.16,;40.32,-19.4,;37.63,-22.46,;36.3,-21.68,;34.95,-22.45,;34.95,-23.98,;36.29,-24.77,;37.62,-24,;33.62,-24.76,;33.61,-26.3,;34.95,-27.08,;34.95,-28.62,;36.28,-29.39,;37.61,-28.62,;37.77,-27.09,;39.27,-26.77,;40.04,-28.1,;41.57,-28.1,;39.01,-29.25,;33.61,-29.39,;32.28,-28.62,;30.96,-29.41,;29.62,-28.65,;29.6,-27.1,;30.93,-26.32,;32.27,-27.08,;28.26,-26.36,;28.24,-24.82,;26.94,-27.14,;25.63,-27.93,)|
COC(=O)N1CCN(CC1)C2CCC(CC2)Nc3c4cc(ccc4ncn3)C#N
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(C)nc12 |r,wU:13.17,wD:10.10,(69.97,-6.35,;69.98,-4.81,;68.66,-4.03,;68.68,-2.49,;67.32,-4.78,;67.31,-6.33,;65.97,-7.08,;64.64,-6.3,;64.65,-4.76,;65.99,-4,;63.3,-7.06,;61.96,-6.28,;60.62,-7.05,;60.62,-8.58,;61.96,-9.37,;63.29,-8.6,;59.29,-9.36,;59.28,-10.9,;60.62,-11.68,;60.62,-13.22,;61.95,-13.99,;63.28,-13.22,;63.43,-11.69,;64.94,-11.37,;65.7,-12.7,;67.24,-12.7,;64.68,-13.84,;59.28,-13.99,;57.95,-13.22,;56.63,-14,;55.29,-13.25,;55.27,-11.7,;53.93,-10.95,;56.6,-10.92,;57.94,-11.68,)|
Cn1cc(cn1)Nc2nc3ccc(nc3c(n2)NC4CCC(CC4)N5CCN(CC5)C(=O)OC)CC#N
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC1)C1COC1 |r|
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1O)N1CCOCC1
Cn1ccc2cc(NC(=O)c3cnn4cccnc34)c(cc2c1=O)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2[S+]1[O-])N1CCOCC1
O=C(Nc1cc2CN(CC3CCOCC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(CC1)N1CCC1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC1)C1CC(F)(F)C1 |r|
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(CC1)N1CC(F)(F)C1 |r|
O=C(Nc1cc2cnc(nc2cc1N1CCCCC1)N1CCOCC1)c1cnn2cccnc12
O=C(Nc1cc2ccc(nc2cc1N1CCCCC1)N1CCOCC1)c1cnn2cccnc12
OCC1CCN(CC1)c1cc2nc[nH]c2cc1NC(=O)c1cnn2cccnc12
OCC1CCN(CC1)c1cc2nc([nH]c2cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
CCn1c(nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc12)N1CCOCC1
OCC1CCN(CC1)c1cc2nc(sc2cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
CN(C)c1nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc2s1
CC1(C)Cc2cc(NC(=O)c3cnn4cc(O)cnc34)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4cc(cnc34)C#N)c(cc2O1)N1CCOCC1
Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6
OCC1CCN(CC1)c1cc2nc(oc2cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3cnn4c(O)ccnc34)c(cc2O1)N1CCOCC1
COc1cc2cccnc2cc1NC(=O)c1cnn2cccnc12
CN(C)c1ccc2cc(NC(=O)c3cnn4cccnc34)c(cc2n1)N1CCCCC1
O=C(Nc1cc2sc(nc2cc1N1CCOCC1)N1CCOCC1)c1cnn2cccnc12
OCC1CCN(CC1)c1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1cnn2cccnc12
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCCCCCCCCCC#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC)c(cc12)C(N)=O |r|
COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(Br)c2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCCCCCCCCCCOc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2cc1C(N)=O |r|
COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c2cc1C(N)=O |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCOCCOCCOCC#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC)c(cc12)C(N)=O |r|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)N1CCC(O)C1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NC1CCCC1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCc1ccccc1
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCc1ccncc1
Cn1cc(NC(=O)c2cc(ccn2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
CC(C)CNC(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O
CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
CCCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
CCCCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCCO
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](C)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccc3nc(C)sc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
O=C(Nc1ccc2nc(oc2c1)N1CCOCC1)c1cccc(n1)-c1ccncc1
O=C(Nc1ccc2nc(oc2c1)N1CCOCC1)c1cccc(n1)-c1cccnc1
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nc(oc2c1)N1CCOCC1
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cc2oc(nc2cc1N1CCCCC1)N1CCOCC1
O=C(Nc1cc2oc(nc2cc1N1CCCCC1)N1CCOCC1)c1cccc(n1)-c1cn[nH]c1
O=C(Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1)c1cccc(n1)-c1cn[nH]c1
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1
N[C@H]1CCN(C1)c1cccc(n1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 |r|
O[C@H]1CCN(C1)c1cccc(n1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 |r|
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1
COc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1
O[C@H]1CCN(C1)c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 |r|
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1C1CC1)N1CCOCC1
O[C@H]1CCN(C1)c1nc(co1)C(=O)Nc1cc2oc(nc2nc1C1CC1)N1CCOCC1 |r|
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCC(F)C1)N1CCOCC1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCC(O)CC1)N1CCOCC1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](N)C1)N1CCOCC1 |r|
CCC1(O)CCCN(C1)c1nc2nc(oc2cc1NC(=O)c1coc(n1)-c1ccnc(C)c1)N1CCOCC1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCC(F)CC1)N1CCOCC1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](F)C1)N1CCOCC1 |r|
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@H](O)C1)N1CCOCC1 |r|
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cnc2nc(oc2c1)N1CCOCC1
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nc(oc2n1)N1CCOCC1
COc1cc(NC(=O)c2cccc(n2)C(F)(F)F)cc2cn(nc12)C1CCNCC1
COc1cc(NC(=O)c2cccc(n2)C(F)(F)F)cc2cn(nc12)C1CCN(C)CC1
COc1cc(NC(=O)c2cccc(n2)C(F)(F)F)cc2cn(CCN(C)C)nc12
CN(C)c1cc(NC(=O)c2cccc(n2)C(F)(F)F)cc2cn(CCC(C)(C)O)nc12
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)cc(N)c2n1
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)cc(C#N)c2n1
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)cc(F)c2n1
CCOc1cc(NC(=O)c2cccc(n2)C(F)(F)F)cc2cn(CCC(C)(C)O)nc12
COc1cc(NC(=O)c2cccc(n2)C(F)(F)F)cc2cn(CCC(C)(C)O)nc12
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)cc(N3CCOCC3)c2n1
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)cc(C3CC3)c2n1
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)cc(c2n1)C(C)(C)O
CN(C)CCn1cc2cc(NC(=O)c3coc(n3)-c3ccnc(C)c3)c(cc2n1)C(C)(C)O
CN(C)CCn1cc2cc(NC(=O)c3nc(cs3)C(F)(F)F)c(cc2n1)C(C)(C)O
Cn1nccc1Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
CC(C)(O)c1cc2nn(C[C@@H]3CCC(=O)N3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F |r|
CCS(=O)(=O)N1CC(C1)n1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CN(C1)C(=O)CC#N
CCS(=O)(=O)NCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
CN1CC(C1)n1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CNC1
CCN(CC)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|
CCc1cc(Nc2ncc(C(=O)NC)c(N[C@H](CO)c3ccccc3)n2)ccc1C#N |r|
CNC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CCNC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CC(C)NC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CCCNC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CCCN(C)C(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CC1(C)OC(=O)c2ccc(Nc3ncc(C(N)=O)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
CC1(C)OC(=O)c2ccc(Nc3ncc(C(O)=O)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
CCOC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
Cc1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CCc1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CC(C)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CC(C)(C)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)C4CC4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)-c4ccc(F)cc4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)-c4ccncc4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
CN1CCC(CC1)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)C45CCN(CC4)CC5)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
Cc1nnc(o1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnc(o4)C4CC4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
CN1CCC(CC1)c1nnc(o1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnc(o4)C45CCN(CC4)CC5)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
CCOc1cc2nc(CCC(C)(C)C(=O)OC)n(C)c2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wD:12.11,15.18,(24.5,-24.9,;23.3,-25.19,;22.45,-24.29,;22.86,-26.66,;23.79,-27.88,;22.93,-29.15,;21.45,-28.71,;20.14,-29.51,;18.78,-28.78,;18.74,-27.25,;20.05,-26.44,;20.01,-24.9,;18.66,-24.17,;18.61,-22.63,;17.26,-21.89,;15.95,-22.7,;16,-24.25,;17.35,-24.98,;14.6,-21.97,;13.28,-22.79,;11.93,-22.05,;11.88,-20.51,;13.2,-19.71,;14.55,-20.44,;10.53,-19.78,;9.48,-20.42,;10.5,-18.55,;21.41,-27.17,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:12.11,15.18,(8.76,-23.76,;9.96,-24.05,;10.81,-23.15,;10.4,-25.52,;9.47,-26.74,;10.33,-28.01,;11.81,-27.58,;13.12,-28.38,;14.48,-27.64,;14.52,-26.11,;13.2,-25.3,;13.24,-23.77,;14.6,-23.03,;14.65,-21.49,;16,-20.76,;17.31,-21.57,;17.26,-23.11,;15.91,-23.84,;18.66,-20.83,;19.98,-21.65,;21.33,-20.92,;21.38,-19.38,;20.06,-18.57,;18.71,-19.3,;22.73,-18.64,;23.77,-19.29,;22.76,-17.41,;11.85,-26.04,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)COCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:49.52,41.42,15.18,12.11,wD:46.48,(-2.98,-8.02,;-2.6,-9.2,;-1.39,-9.45,;-3.62,-10.35,;-5.16,-10.19,;-5.79,-11.61,;-4.63,-12.64,;-4.63,-14.17,;-3.29,-14.95,;-1.96,-14.17,;-1.96,-12.62,;-.62,-11.84,;.71,-12.62,;2.05,-11.85,;3.38,-12.62,;3.39,-14.16,;2.05,-14.94,;.72,-14.16,;4.73,-14.94,;4.73,-16.48,;6.07,-17.24,;7.4,-16.47,;7.4,-14.93,;6.06,-14.17,;8.75,-17.23,;8.76,-18.46,;10.09,-16.46,;11.42,-17.21,;12.75,-16.44,;14.09,-17.19,;15.43,-16.41,;16.76,-17.17,;18.11,-16.39,;19.44,-17.15,;20.78,-16.38,;22.12,-17.14,;23.46,-16.36,;24.79,-17.11,;26.12,-16.34,;26.12,-15.1,;27.44,-17.08,;28.75,-16.32,;30.08,-17.08,;30.1,-18.32,;31.42,-16.31,;31.55,-14.79,;33.06,-14.44,;33.59,-13.29,;33.83,-15.78,;32.82,-16.93,;33.14,-18.44,;32.22,-19.26,;34.58,-18.88,;34.86,-20.36,;36.34,-20.83,;36.67,-22.35,;38.15,-22.81,;39.28,-21.77,;38.95,-20.26,;37.49,-19.79,;40.76,-22.24,;41.99,-21.31,;43.24,-22.21,;42.77,-23.68,;41.21,-23.7,;40.49,-24.7,;28.74,-14.78,;29.81,-14.16,;27.3,-14.79,;28.34,-13.29,;-3.3,-11.85,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)COCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:55.58,47.48,12.11,15.18,wD:52.54,(4.71,-11.83,;3.52,-11.59,;3.13,-10.42,;2.51,-12.74,;.99,-12.6,;.38,-14.01,;1.54,-15.02,;1.55,-16.54,;2.88,-17.3,;4.2,-16.51,;4.19,-14.99,;5.51,-14.2,;6.83,-14.95,;8.16,-14.18,;9.48,-14.93,;9.5,-16.46,;8.18,-17.25,;6.85,-16.49,;10.83,-17.22,;12.15,-16.45,;13.49,-17.19,;13.5,-18.72,;12.19,-19.5,;10.86,-18.75,;14.85,-19.49,;14.84,-20.74,;16.19,-18.73,;17.53,-19.49,;18.88,-18.73,;20.22,-19.5,;21.57,-18.73,;22.91,-19.5,;24.26,-18.74,;25.6,-19.51,;26.95,-18.74,;28.29,-19.51,;29.64,-18.75,;30.97,-19.51,;32.33,-18.75,;33.66,-19.52,;35.01,-18.75,;36.35,-19.52,;37.7,-18.76,;39.04,-19.53,;40.39,-18.76,;40.39,-17.52,;41.73,-19.53,;43.08,-18.76,;44.42,-19.53,;44.42,-20.78,;45.76,-18.77,;45.91,-17.23,;47.43,-16.91,;47.93,-15.78,;48.19,-18.26,;47.17,-19.41,;47.48,-20.93,;46.54,-21.75,;48.96,-21.41,;49.27,-22.93,;50.74,-23.42,;51.06,-24.94,;52.54,-25.43,;53.69,-24.39,;53.37,-22.87,;51.9,-22.39,;55.17,-24.88,;56.4,-23.96,;57.65,-24.88,;57.18,-26.35,;55.62,-26.35,;54.88,-27.34,;43.07,-17.2,;44.15,-16.12,;44.55,-17.59,;42,-16.59,;2.85,-14.23,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(9.65,-9.97,;10.01,-11.15,;11.21,-11.41,;8.97,-12.28,;7.45,-12.1,;6.8,-13.5,;7.93,-14.54,;7.91,-16.08,;9.24,-16.87,;10.58,-16.11,;10.6,-14.57,;11.94,-13.82,;13.27,-14.61,;14.62,-13.85,;15.93,-14.65,;15.92,-16.19,;14.57,-16.94,;13.25,-16.15,;17.24,-16.97,;17.21,-18.52,;18.54,-19.31,;19.88,-18.55,;19.91,-17.01,;18.58,-16.22,;21.21,-19.34,;21.19,-20.57,;22.55,-18.58,;23.88,-19.37,;25.23,-18.61,;26.55,-19.4,;27.89,-18.64,;29.22,-19.43,;30.56,-18.67,;31.89,-19.46,;33.23,-18.71,;34.56,-19.49,;35.9,-18.74,;37.23,-19.52,;38.57,-18.77,;38.59,-17.22,;39.93,-16.47,;41.25,-17.25,;41.24,-18.79,;42.37,-19.83,;43.58,-19.58,;41.74,-21.23,;42.49,-22.58,;41.6,-23.83,;42.25,-25.23,;43.79,-25.36,;44.31,-26.48,;44.67,-24.1,;44.02,-22.7,;44.72,-21.69,;40.2,-21.06,;39.37,-21.96,;39.9,-19.55,;9.27,-13.79,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(4.12,-15.5,;4.54,-16.67,;5.75,-16.88,;3.55,-17.84,;2.02,-17.72,;1.42,-19.15,;2.59,-20.14,;2.64,-21.68,;3.99,-22.41,;5.31,-21.6,;5.26,-20.07,;6.58,-19.26,;7.92,-19.99,;9.23,-19.18,;10.59,-19.93,;10.63,-21.46,;9.32,-22.27,;7.96,-21.53,;11.99,-22.2,;12.02,-23.74,;13.38,-24.48,;14.69,-23.67,;14.65,-22.13,;13.3,-21.39,;16.05,-24.4,;16.09,-25.63,;17.36,-23.59,;18.72,-24.33,;20.03,-23.52,;21.38,-24.24,;22.69,-23.43,;24.05,-24.16,;25.37,-23.36,;26.72,-24.09,;28.03,-23.28,;29.39,-24.01,;30.7,-23.2,;32.06,-23.93,;33.37,-23.13,;34.73,-23.86,;36.04,-23.05,;37.4,-23.78,;37.43,-25.32,;38.79,-26.06,;40.1,-25.25,;40.06,-23.71,;41.18,-22.65,;42.39,-22.87,;40.51,-21.26,;41.25,-19.91,;40.34,-18.66,;40.97,-17.25,;42.5,-17.1,;43,-15.97,;43.4,-18.34,;42.77,-19.75,;43.5,-20.75,;38.99,-21.47,;38.14,-20.57,;38.71,-22.98,;3.92,-19.33,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(.69,-11.31,;1.1,-12.46,;2.31,-12.68,;.11,-13.64,;-1.42,-13.52,;-2.01,-14.95,;-.85,-15.94,;-.8,-17.48,;.56,-18.21,;1.87,-17.4,;1.83,-15.86,;3.14,-15.05,;4.49,-15.79,;5.81,-14.98,;7.16,-15.72,;7.2,-17.26,;5.9,-18.07,;4.54,-17.33,;8.56,-18,;8.61,-19.53,;9.96,-20.27,;11.27,-19.46,;11.23,-17.92,;9.87,-17.19,;12.63,-20.19,;12.66,-21.42,;13.94,-19.38,;15.3,-20.11,;16.61,-19.3,;17.96,-20.03,;19.27,-19.22,;20.63,-19.95,;21.94,-19.14,;23.3,-19.88,;24.61,-19.06,;25.97,-19.8,;27.28,-18.99,;28.64,-19.72,;29.95,-18.91,;31.3,-19.64,;32.61,-18.83,;33.97,-19.56,;35.28,-18.75,;36.65,-19.48,;37.96,-18.67,;37.91,-17.13,;39.22,-16.32,;40.57,-17.05,;40.63,-18.59,;41.79,-19.58,;42.99,-19.28,;41.21,-21,;42.03,-22.32,;41.2,-23.61,;41.9,-24.98,;43.44,-25.04,;44.01,-26.14,;44.27,-23.75,;43.56,-22.38,;44.22,-21.34,;39.68,-20.89,;38.89,-21.83,;39.31,-19.4,;.47,-15.13,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:12.11,15.18,41.42,49.52,wD:46.48,(2.42,-19.63,;1.57,-20.53,;.37,-20.25,;2.02,-22,;1.09,-23.23,;1.97,-24.5,;3.44,-24.05,;4.76,-24.85,;6.11,-24.11,;6.15,-22.57,;4.82,-21.77,;4.87,-20.23,;6.22,-19.49,;6.25,-17.94,;7.61,-17.21,;8.92,-18.01,;8.89,-19.55,;7.53,-20.28,;10.28,-17.27,;10.32,-15.73,;11.67,-15,;12.99,-15.8,;12.95,-17.34,;11.6,-18.07,;14.35,-15.06,;14.38,-13.83,;15.67,-15.86,;17.02,-15.15,;18.34,-15.95,;18.3,-17.18,;19.69,-15.23,;21.01,-16.03,;22.36,-15.3,;23.68,-16.1,;25.03,-15.37,;26.36,-16.17,;27.71,-15.45,;29.03,-16.24,;30.38,-15.51,;30.42,-14.28,;31.71,-16.31,;33.05,-15.6,;34.37,-16.4,;34.33,-17.63,;35.73,-15.66,;35.91,-14.15,;37.43,-13.86,;37.96,-12.75,;38.16,-15.22,;37.1,-16.34,;37.38,-17.86,;36.43,-18.65,;38.83,-18.39,;39.1,-19.91,;40.55,-20.43,;41.73,-19.43,;43.18,-19.95,;43.45,-21.47,;42.28,-22.47,;40.82,-21.94,;44.91,-21.99,;46.15,-21.11,;47.38,-22.05,;46.85,-23.5,;45.32,-23.46,;44.55,-24.43,;33.1,-14.04,;34.18,-12.96,;34.58,-14.44,;32.04,-13.41,;3.48,-22.51,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:15.18,12.11,44.45,52.55,wD:49.51,(2.42,-15.77,;1.57,-14.86,;.37,-15.14,;2.03,-13.39,;1.1,-12.16,;1.98,-10.9,;3.45,-11.34,;4.78,-10.54,;6.13,-11.29,;6.15,-12.83,;4.83,-13.63,;4.86,-15.18,;6.21,-15.92,;7.54,-15.12,;8.88,-15.86,;8.92,-17.4,;7.6,-18.2,;6.25,-17.46,;10.27,-18.15,;11.59,-17.35,;12.94,-18.09,;12.98,-19.62,;11.66,-20.42,;10.31,-19.69,;14.33,-20.36,;14.36,-21.6,;15.66,-19.56,;17,-20.28,;18.32,-19.49,;18.29,-18.25,;19.67,-20.22,;21,-19.42,;22.35,-20.15,;23.67,-19.36,;25.02,-20.09,;26.34,-19.29,;27.69,-20.01,;29.01,-19.22,;30.36,-19.95,;31.68,-19.15,;33.03,-19.88,;34.35,-19.08,;34.32,-17.85,;35.7,-19.81,;37.03,-19.01,;38.38,-19.75,;38.41,-20.99,;39.7,-18.95,;39.8,-17.42,;41.3,-17.06,;41.76,-15.92,;42.1,-18.39,;41.11,-19.55,;41.46,-21.05,;40.56,-21.9,;42.93,-21.49,;43.29,-23,;44.76,-23.44,;45.88,-22.39,;47.37,-22.83,;47.72,-24.33,;46.59,-25.39,;45.11,-24.94,;49.2,-24.77,;50.4,-23.83,;51.67,-24.7,;51.22,-26.18,;49.68,-26.23,;48.98,-27.23,;36.98,-17.47,;38.06,-16.38,;38.46,-17.86,;35.9,-16.89,;3.48,-12.88,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:55.58,15.18,12.11,47.48,wD:52.54,(.37,-19.98,;1.57,-20.27,;2.41,-19.38,;2,-21.75,;1.07,-22.97,;1.94,-24.25,;3.41,-23.81,;4.73,-24.62,;6.08,-23.88,;6.13,-22.35,;4.81,-21.54,;4.85,-19.99,;6.22,-19.26,;6.26,-17.72,;7.62,-16.99,;8.93,-17.8,;8.89,-19.34,;7.53,-20.07,;10.29,-17.07,;10.34,-15.53,;11.69,-14.81,;13.01,-15.62,;12.96,-17.15,;11.61,-17.88,;14.38,-14.89,;14.42,-13.65,;15.69,-15.69,;17.05,-14.99,;18.36,-15.79,;18.31,-17.03,;19.71,-15.08,;21.03,-15.89,;22.39,-15.17,;23.7,-15.98,;25.06,-15.26,;26.38,-16.07,;27.74,-15.35,;29.05,-16.16,;30.4,-15.44,;31.71,-16.25,;33.08,-15.54,;34.39,-16.34,;35.74,-15.63,;37.06,-16.44,;38.43,-15.71,;38.47,-14.48,;39.74,-16.52,;41.09,-15.81,;42.41,-16.62,;42.37,-17.86,;43.77,-15.89,;43.96,-14.38,;45.48,-14.1,;46.01,-12.99,;46.2,-15.46,;45.14,-16.58,;45.4,-18.09,;44.45,-18.88,;46.84,-18.63,;47.1,-20.14,;48.56,-20.68,;48.82,-22.2,;50.27,-22.73,;51.45,-21.74,;51.18,-20.21,;49.74,-19.69,;52.9,-22.27,;54.16,-21.4,;55.37,-22.35,;54.85,-23.8,;53.3,-23.74,;52.54,-24.71,;41.14,-14.25,;41.9,-12.93,;42.67,-14.24,;40.09,-13.61,;3.45,-22.26,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:12.11,15.18,37.38,45.48,wD:42.44,(2.72,-20.47,;3.92,-20.74,;4.76,-19.84,;4.38,-22.21,;3.46,-23.45,;4.35,-24.7,;5.82,-24.25,;7.14,-25.04,;8.49,-24.28,;8.51,-22.74,;7.18,-21.96,;7.21,-20.41,;8.55,-19.66,;8.58,-18.12,;9.93,-17.38,;11.25,-18.16,;11.22,-19.71,;9.88,-20.45,;12.59,-17.42,;13.91,-18.2,;15.26,-17.46,;15.29,-15.92,;13.97,-15.14,;12.62,-15.87,;16.64,-15.17,;16.67,-13.94,;17.96,-15.96,;19.31,-15.24,;20.63,-16.02,;20.61,-17.26,;21.98,-15.29,;23.3,-16.08,;24.64,-15.34,;25.97,-16.13,;27.32,-15.39,;27.35,-14.16,;28.65,-16.18,;29.99,-15.45,;31.32,-16.24,;31.29,-17.47,;32.66,-15.5,;32.83,-13.98,;34.34,-13.68,;34.86,-12.57,;35.09,-15.03,;34.04,-16.15,;34.32,-17.67,;33.39,-18.47,;35.78,-18.18,;36.06,-19.7,;37.52,-20.21,;38.68,-19.2,;40.14,-19.71,;40.42,-21.22,;39.25,-22.22,;37.8,-21.72,;41.87,-21.73,;43.13,-20.85,;44.35,-21.77,;43.84,-23.23,;42.3,-23.2,;41.56,-24.18,;30.02,-13.89,;31.09,-12.8,;31.5,-14.28,;28.97,-13.27,;5.84,-22.71,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:48.51,40.41,15.18,12.11,wD:45.47,(5.49,-18.12,;6.68,-17.83,;7.53,-18.72,;7.12,-16.35,;6.17,-15.13,;7.04,-13.86,;8.52,-14.29,;9.83,-13.48,;11.19,-14.21,;11.23,-15.75,;9.92,-16.56,;9.97,-18.11,;11.33,-18.83,;12.64,-18.02,;14.01,-18.74,;14.06,-20.28,;12.74,-21.09,;11.39,-20.37,;15.42,-21.01,;15.47,-22.55,;16.83,-23.27,;18.15,-22.45,;18.09,-20.91,;16.73,-20.2,;19.51,-23.18,;19.55,-24.41,;20.82,-22.36,;22.17,-23.07,;23.49,-22.25,;23.44,-21.02,;24.85,-22.97,;26.16,-22.16,;27.51,-22.87,;28.83,-22.05,;30.19,-22.77,;31.5,-21.96,;32.86,-22.67,;34.18,-21.86,;34.13,-20.62,;35.53,-22.57,;36.84,-21.75,;38.2,-22.47,;38.25,-23.71,;39.52,-21.66,;39.6,-20.13,;41.09,-19.75,;41.56,-18.6,;41.91,-21.06,;40.93,-22.24,;41.3,-23.74,;40.42,-24.59,;42.79,-24.16,;43.16,-25.66,;44.64,-26.09,;45.02,-27.59,;46.49,-28.01,;47.6,-26.94,;47.23,-25.45,;45.75,-25.02,;49.09,-27.37,;50.28,-26.41,;51.56,-27.27,;51.14,-28.76,;49.6,-28.81,;48.9,-29.83,;36.78,-20.21,;35.29,-20.21,;36.04,-18.92,;38.04,-19.42,;8.56,-15.83,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(7.75,-18.31,;8.16,-19.46,;9.37,-19.69,;7.16,-20.63,;5.63,-20.52,;5.04,-21.93,;6.21,-22.93,;6.25,-24.48,;7.61,-25.21,;8.92,-24.41,;8.88,-22.87,;10.19,-22.06,;11.55,-22.8,;12.85,-22,;14.21,-22.75,;14.24,-24.28,;12.93,-25.09,;11.58,-24.34,;15.59,-25.03,;15.63,-26.56,;16.98,-27.31,;18.3,-26.5,;18.26,-24.96,;16.91,-24.22,;19.65,-27.23,;19.68,-28.47,;20.96,-26.43,;22.32,-27.17,;23.63,-26.36,;23.6,-25.13,;24.98,-27.1,;26.3,-26.29,;27.65,-27.03,;28.97,-26.23,;30.32,-26.97,;31.63,-26.16,;32.98,-26.89,;34.3,-26.09,;35.65,-26.83,;36.97,-26.02,;38.32,-26.76,;38.36,-28.3,;39.71,-29.04,;41.02,-28.23,;40.99,-26.7,;42.1,-25.64,;43.31,-25.87,;41.45,-24.25,;42.35,-23,;41.61,-21.65,;42.41,-20.34,;43.95,-20.38,;44.6,-19.33,;44.69,-21.74,;43.88,-23.05,;44.47,-24.13,;39.92,-24.44,;39.07,-23.55,;39.63,-25.95,;7.52,-22.13,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(10.47,-15.58,;10.87,-16.74,;12.08,-16.99,;9.85,-17.9,;8.32,-17.76,;7.71,-19.17,;8.87,-20.18,;8.88,-21.73,;10.23,-22.48,;11.55,-21.7,;11.53,-20.16,;12.86,-19.37,;14.2,-20.13,;15.53,-19.34,;16.87,-20.11,;16.88,-21.65,;15.56,-22.43,;14.21,-21.67,;18.22,-22.41,;18.24,-23.94,;19.58,-24.71,;20.9,-23.92,;20.89,-22.38,;19.55,-21.62,;22.24,-24.67,;22.26,-25.91,;23.56,-23.89,;24.91,-24.65,;26.23,-23.86,;26.22,-22.63,;27.58,-24.61,;28.9,-23.83,;30.25,-24.58,;31.57,-23.8,;32.92,-24.56,;34.24,-23.77,;35.58,-24.52,;36.9,-23.74,;38.25,-24.5,;39.57,-23.71,;40.92,-24.46,;42.24,-23.68,;43.59,-24.44,;44.91,-23.65,;44.89,-22.11,;46.21,-21.32,;47.55,-22.08,;47.58,-23.62,;48.73,-24.63,;49.93,-24.36,;48.12,-26.04,;48.91,-27.37,;48.05,-28.65,;48.74,-30.03,;50.28,-30.13,;50.83,-31.23,;51.13,-28.84,;50.44,-27.46,;51.12,-26.44,;46.59,-25.9,;45.78,-26.83,;46.25,-24.41,;10.19,-19.4,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(9.48,-18.71,;9.89,-19.88,;11.07,-20.13,;8.86,-21.04,;7.33,-20.89,;6.73,-22.3,;7.87,-23.32,;7.89,-24.86,;9.23,-25.62,;10.56,-24.83,;10.55,-23.29,;11.86,-22.51,;13.21,-23.27,;14.53,-22.49,;15.87,-23.25,;15.87,-24.79,;14.56,-25.57,;13.21,-24.81,;17.22,-25.55,;17.23,-27.09,;18.57,-27.85,;19.89,-27.07,;19.88,-25.53,;18.54,-24.77,;21.24,-27.82,;21.25,-29.06,;22.57,-27.04,;23.91,-27.8,;25.24,-27.01,;25.23,-25.78,;26.58,-27.77,;27.91,-26.98,;29.25,-27.73,;30.57,-26.95,;31.92,-27.71,;33.25,-26.93,;34.58,-27.68,;35.91,-26.89,;37.25,-27.65,;38.58,-26.87,;39.93,-27.62,;41.25,-26.84,;42.59,-27.6,;43.92,-26.81,;45.26,-27.57,;46.59,-26.78,;47.93,-27.54,;47.94,-29.08,;49.29,-29.84,;50.61,-29.06,;50.6,-27.51,;51.73,-26.47,;52.94,-26.72,;51.1,-25.07,;52,-23.82,;51.27,-22.47,;52.07,-21.16,;53.61,-21.21,;54.26,-20.15,;54.34,-22.57,;53.53,-23.87,;54.11,-24.95,;49.57,-25.25,;48.73,-24.34,;49.26,-26.75,;9.21,-22.53,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(10.44,-19.08,;10.79,-20.26,;11.98,-20.55,;9.73,-21.37,;8.2,-21.16,;7.53,-22.55,;8.65,-23.61,;8.6,-25.15,;9.9,-25.96,;11.26,-25.23,;11.31,-23.7,;12.66,-22.97,;13.97,-23.79,;15.33,-23.06,;16.64,-23.88,;16.59,-25.42,;15.23,-26.14,;13.92,-25.32,;17.89,-26.24,;17.84,-27.77,;19.15,-28.59,;20.5,-27.86,;20.56,-26.32,;19.25,-25.51,;21.81,-28.67,;21.78,-29.91,;23.17,-27.94,;24.48,-28.76,;25.84,-28.03,;25.87,-26.8,;27.15,-28.84,;28.5,-28.11,;29.81,-28.93,;31.17,-28.2,;32.48,-29.01,;33.84,-28.28,;35.15,-29.09,;35.1,-30.64,;36.4,-31.45,;37.76,-30.72,;37.81,-29.18,;39,-28.19,;40.19,-28.49,;38.41,-26.76,;39.23,-25.45,;38.39,-24.16,;39.11,-22.8,;40.64,-22.73,;41.22,-21.64,;41.47,-24.03,;40.76,-25.4,;41.42,-26.44,;36.88,-26.87,;36.08,-25.94,;36.51,-28.37,;10,-22.88,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCCCCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(10.73,-18.19,;11.11,-19.36,;12.32,-19.62,;10.09,-20.51,;8.56,-20.35,;7.93,-21.75,;9.08,-22.78,;9.08,-24.32,;10.41,-25.09,;11.74,-24.32,;11.74,-22.78,;13.07,-22.01,;14.41,-22.79,;15.74,-22.02,;17.07,-22.8,;17.07,-24.34,;15.73,-25.11,;14.4,-24.33,;18.39,-25.12,;18.39,-26.66,;19.72,-27.43,;21.06,-26.66,;21.06,-25.12,;19.73,-24.35,;22.39,-27.43,;22.39,-28.66,;23.73,-26.66,;25.06,-27.43,;26.39,-26.66,;26.4,-25.43,;27.73,-27.43,;29.06,-26.67,;30.4,-27.43,;31.73,-26.66,;33.06,-27.44,;34.4,-26.67,;35.73,-27.43,;37.07,-26.66,;38.4,-27.44,;38.4,-28.98,;39.73,-29.75,;41.06,-28.98,;41.07,-27.44,;42.21,-26.42,;43.42,-26.68,;41.59,-25.01,;42.45,-23.74,;41.68,-22.41,;42.44,-21.07,;43.99,-21.07,;44.6,-20.01,;44.76,-22.41,;43.99,-23.74,;44.61,-24.8,;40.06,-25.17,;39.23,-24.25,;39.74,-26.67,;10.41,-22.02,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c12 |r,wU:12.11,15.18,(9.52,-11.75,;9.89,-12.93,;11.08,-13.21,;8.83,-14.06,;7.31,-13.87,;6.65,-15.27,;7.78,-16.32,;7.76,-17.86,;9.08,-18.65,;10.42,-17.9,;10.45,-16.36,;11.8,-15.61,;13.12,-16.41,;14.47,-15.67,;15.79,-16.46,;15.76,-18.01,;14.41,-18.76,;13.09,-17.96,;17.08,-18.81,;17.05,-20.34,;18.37,-21.15,;19.71,-20.4,;19.75,-18.86,;18.42,-18.06,;21.04,-21.19,;21.01,-22.43,;22.39,-20.44,;23.71,-21.24,;25.06,-20.49,;25.08,-19.26,;26.38,-21.29,;27.72,-20.54,;29.05,-21.34,;29.02,-22.88,;30.34,-23.67,;30.31,-25.22,;31.62,-26.01,;31.58,-27.55,;30.24,-28.3,;28.92,-27.5,;28.96,-25.97,;30.2,-29.84,;28.85,-30.59,;28.81,-32.12,;30.14,-32.93,;30.41,-34.43,;29.56,-35.34,;31.94,-34.63,;32.69,-35.98,;34.22,-35.9,;35.06,-37.19,;34.35,-38.57,;35.03,-39.6,;32.82,-38.65,;31.98,-37.35,;30.75,-37.42,;32.6,-33.24,;33.81,-33.01,;31.48,-32.18,;31.52,-30.64,;27.67,-23.63,;26.35,-22.83,;9.13,-15.57,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CCN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c12 |r,wU:12.11,15.18,(12.72,-9.27,;13.1,-10.45,;14.3,-10.7,;12.07,-11.59,;10.53,-11.42,;9.91,-12.83,;11.05,-13.86,;11.04,-15.41,;12.38,-16.18,;13.71,-15.41,;13.72,-13.87,;15.05,-13.1,;16.39,-13.88,;17.72,-13.12,;19.05,-13.89,;19.05,-15.43,;17.71,-16.2,;16.38,-15.42,;20.38,-16.21,;20.37,-17.75,;21.71,-18.53,;23.04,-17.77,;23.04,-16.23,;21.71,-15.44,;24.38,-18.54,;24.37,-19.77,;25.71,-17.77,;27.04,-18.55,;28.39,-17.78,;28.39,-16.55,;29.72,-18.55,;31.05,-17.79,;32.38,-18.56,;32.38,-20.11,;33.71,-20.88,;33.7,-22.42,;35.03,-23.2,;35.02,-24.74,;36.36,-25.52,;37.69,-24.75,;37.7,-23.22,;36.37,-22.43,;39.03,-25.53,;40.36,-24.76,;41.7,-25.54,;41.69,-27.08,;42.84,-28.11,;44.05,-27.86,;42.21,-29.51,;43.05,-30.8,;42.26,-32.12,;43,-33.47,;44.54,-33.5,;45.14,-34.58,;45.33,-32.18,;44.59,-30.83,;45.22,-29.77,;40.67,-29.35,;39.84,-30.27,;40.36,-27.85,;39.02,-27.07,;31.04,-20.87,;29.71,-20.09,;12.38,-13.1,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CCN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)N(C)C6=O)C(=O)c5c4)CC3)c12 |r,wU:12.11,15.18,(12.72,-9.27,;13.1,-10.45,;14.3,-10.7,;12.07,-11.59,;10.53,-11.42,;9.91,-12.83,;11.05,-13.86,;11.04,-15.41,;12.38,-16.18,;13.71,-15.41,;13.72,-13.87,;15.05,-13.1,;16.39,-13.88,;17.72,-13.12,;19.05,-13.89,;19.05,-15.43,;17.71,-16.2,;16.38,-15.42,;20.38,-16.21,;20.37,-17.75,;21.71,-18.53,;23.04,-17.77,;23.04,-16.23,;21.71,-15.44,;24.38,-18.54,;24.37,-19.77,;25.71,-17.77,;27.04,-18.55,;28.39,-17.78,;28.39,-16.55,;29.72,-18.55,;31.05,-17.79,;32.38,-18.56,;32.38,-20.11,;33.71,-20.88,;33.7,-22.42,;35.03,-23.2,;35.02,-24.74,;36.36,-25.52,;37.69,-24.75,;37.7,-23.22,;36.37,-22.43,;39.03,-25.53,;40.36,-24.76,;41.7,-25.54,;41.69,-27.08,;42.84,-28.11,;44.05,-27.86,;42.21,-29.51,;43.05,-30.8,;42.26,-32.12,;43,-33.47,;44.54,-33.5,;45.14,-34.58,;45.33,-32.18,;46.84,-32.21,;44.59,-30.83,;45.22,-29.77,;40.67,-29.35,;39.84,-30.27,;40.36,-27.85,;39.02,-27.07,;31.04,-20.87,;29.71,-20.09,;12.38,-13.1,)|
C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)c1
C=CC(=O)Nc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)c1
CCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
CC(C)Nc1c(cnc2sc(cc12)-c1ccc(=O)[nH]c1)-c1cn(CCCO)nn1
CC(C)Nc1c(cnc2sc(cc12)-c1cncs1)-c1cn(CCCO)nn1
CC(C)Nc1c(cnc2sc(cc12)-c1cncs1)C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O |r,wU:21.23,wD:24.30,(61.28,-2.99,;61.29,-4.53,;62.62,-5.3,;59.96,-5.3,;59.96,-6.84,;58.63,-7.61,;58.63,-9.16,;59.97,-9.93,;61.29,-9.16,;62.77,-9.64,;63.68,-8.38,;62.77,-7.13,;61.3,-7.61,;65.22,-8.38,;66.11,-7.13,;67.57,-7.6,;67.58,-9.14,;66.12,-9.62,;57.3,-6.84,;57.3,-5.3,;55.97,-7.61,;54.63,-6.85,;53.3,-7.61,;51.97,-6.83,;51.97,-5.29,;53.31,-4.53,;54.64,-5.3,;50.64,-4.52,;49.31,-5.28,;47.97,-4.51,;49.3,-6.82,)|
CC(C)Nc1c(cnc2sc(cc12)-c1ccc(=O)[nH]c1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1c(cnc2sc(cc12)-c1ccncc1)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)Nc1c(cnc2sc(cc12)-c1cn[nH]c1)C(=O)NC[C@@H](F)C(C)(C)O |r|
Cn1cc(NC(=O)c2ncn3ccc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnc3ccc(nn23)N2CCC[C@@H](N)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F |r|
Cc1nn2ccc(N[C@@H]3CCCNC3)nc2c1C(=O)Nc1cn(C)nc1C(F)F |r|
Cc1nc2ccc(N[C@@H]3CCCNC3)nn2c1C(=O)Nc1cn(C)nc1C(F)F |r|
Cn1cc(NC(=O)c2cnc3ccc(N[C@H]4CCCNC4)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCNC4)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnc3ccc(nn23)N2CC[C@@H](N)C2)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)F |r|
Cn1cc(NC(=O)c2cnc3ccc(nn23)N2CCC(N)CC2)c(n1)C(F)F
Cn1cc(NC(=O)c2cnc3ccc(NCCN)nn23)c(n1)C(F)F
Cn1cc(NC(=O)c2cnc3ccc(nn23)N2CCNCC2)c(n1)C(F)F
CN([C@@H]1CCCNC1)c1ccc2ncc(C(=O)Nc3cn(C)nc3C(F)F)n2n1 |r|
Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C#N |r|
Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(N)=O |r|
Cc1nn(C)cc1NC(=O)c1cnc2ccc(N[C@@H]3CCCNC3)nn12 |r|
CCn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F |r|
CC(C)n1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F |r|
FC(F)(F)c1nn(cc1NC(=O)c1cnc2ccc(N[C@@H]3CCCNC3)nn12)C1CCNCC1 |r|
FC(F)(F)c1nn(cc1NC(=O)c1cnc2ccc(N[C@@H]3CCCNC3)nn12)C1CCOCC1 |r|
COc1cc(ccc1NC(=O)c1cccc(n1)-c1ccn[nH]1)N1CCC(CC1)OCC(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)C(C)(C)C |r|
COc1cc(ccc1NC(=O)c1cccc(n1)-c1ccn[nH]1)N1CCC(CC1)OCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)C(C)(C)C |r|
COc1cc(ccc1NC(=O)c1cccc(n1)-c1ccn[nH]1)N1CCC(CC1)OCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r|
COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCN(CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)CC1 |r|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1C)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1C1CC1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccoc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccsc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccccc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccncc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccccc1F)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccc(F)cc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1cncc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccnc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1cccc(c1)C#N)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccc(cc1)C#N)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCOCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCN(C)CC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCOCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCN(C)CC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1cccnc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(cc2)C(=O)N2CCCC2)ncc1-c1cccnc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)ncc1-c1cccnc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(OCCN3CCCC3)c(C)c2)ncc1-c1cccnc1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(nc2)N2CCN(C)CC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCOCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCN(C)CC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)-c2cnco2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(cc2)-c2cnco2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
CC(C)Nc1c(cnc2c3ccc(cc3[nH]c12)C#N)C(=O)NC[C@@H](F)C(C)(C)O |r|
CCNc1c(cnc2c3ccc(cc3[nH]c12)C#N)C(=O)NC[C@@H](F)C(C)(C)O |r|
CC(C)(O)[C@H](F)CNC(=O)c1cnc2c3ccc(cc3[nH]c2c1NC1CCC1)C#N |r|
CC(C)Nc1c(cnc2c3ccc(cc3[nH]c12)C#N)C(=O)NCCC1CCNC1
CC(C)CCn1cc(nn1)-c1cnc2c3ccc(cc3[nH]c2c1NC(C)C)C#N
CC(C)Nc1c(cnc2c3ccc(cc3[nH]c12)C#N)-c1cn(nn1)C1CCNCC1
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(cc2)C(=O)N2CCCC2)nc2ccsc12)C(N)=O |r,c:5|
c1cc(cc(c1)Nc2nc3ccsc3c(n2)N[C@@H]4[C@@H]5C[C@H]([C@@H]4C(=O)N)C=C5)C(=O)N6CCCC6
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCOCC2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(F)c(c2)C(=O)N2CCCC2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)C(=O)N2CCCC2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(ccc2F)C(=O)N2CCCC2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCC(F)C2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCCC2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCOCC2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCN(C)CC2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCOCC2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCN(C)CC2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(F)c(c2)N2CCOCC2)nc2ccsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(F)c(c2)N2CCN(C)CC2)nc2ccsc12)C(N)=O |r,c:5|
NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ccsc12 |r|
NC(=O)c1ccccc1Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ccsc12
[H][C@@]12CC[C@@]([H])(C1)C(C2)Nc1nc(Nc2cccc(c2)C(=O)N2CCC(F)C2)nc2ccsc12 |r|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ccoc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2[nH]ccc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2[nH]cc(C)c12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2[nH]ncc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2[nH]nc(C)c12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2cc[nH]c12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ccn(C)c12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ccn(C(F)F)c12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2cn[nH]c12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2cnn(C)c12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ncsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2[nH]cnc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ccccc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCOCC2)nc2ccoc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCOCC2)nc2[nH]nc(C)c12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCOCC2)nc2ccn(C(F)F)c12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCOCC2)nc2ncsc12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3cnn(C(C)C)c3c2)nc2ccn(C)c12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3cnn(C(C)C)c3c2)nc2ccn(C(C)C)c12)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3cnn(C(C)C)c3c2)nc2ccn(C(F)F)c12)C(N)=O |r,c:5|
CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccn(C)c(=O)c12 |r,wU:13.17,wD:10.10,(5.33,6.16,;6.67,5.39,;6.67,3.85,;8,3.08,;5.33,3.08,;4,3.85,;2.67,3.08,;2.67,1.54,;4,.77,;5.33,1.54,;1.33,.77,;-0,1.54,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.33,-3.85,;-1.33,-5.38,;0,-6.15,;1.34,-5.38,;1.34,-3.84,;2.84,-3.38,;3.72,-4.6,;5.26,-4.6,;2.8,-5.84,;-2.66,-6.16,;-4,-5.39,;-5.33,-6.16,;-6.67,-5.39,;-6.67,-3.85,;-8,-3.08,;-5.33,-3.08,;-5.33,-1.54,;-4,-3.85,)|
Cn1cc(cn1)Nc2nc3c(c(n2)NC4CCC(CC4)N5CCN(CC5)C(=O)OC)C(=O)N(C=C3)CC#N
Cn1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1
CC1(CC1)Nc2c3c(nc(n2)Nc4cnn(c4)C5CCN(CC5)C)C=CN(C3=O)C
CN1CC(CCC1=O)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1
CC(=O)N1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1
CN(C)CC(=O)N1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1
CN(C)C(=O)CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1
CN1CC[C@@H]([C@H](F)C1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r|
CN1CC[C@@H]([C@@H](F)C1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r|
C[C@H]1C[C@H](CCN1C)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r|
C[C@@H]1C[C@H](CCN1C)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r|
[H][C@]12CN(C)[C@]([H])(C[C@@H]1n1cc(Nc3nc(NC4(C)CC4)c4c(ccn(C)c4=O)n3)cn1)C2 |r|
[H][C@@]12CN(C)[C@@]([H])(C[C@@H]1n1cc(Nc3nc(NC4(C)CC4)c4c(ccn(C)c4=O)n3)cn1)C2 |r|
CN1CC2(CC(C2)n2cc(Nc3nc(NC4(C)CC4)c4c(ccn(C)c4=O)n3)cn2)C1
CC(C)n1ccc2nc(Nc3cnn(c3)C3CCN(C)CC3)nc(NC3(C)CC3)c2c1=O
CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C4CC4)c3=O)n2)cn1
CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C(F)F)c3=O)n2)cn1
CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(CC(F)F)c3=O)n2)cn1
C[C@@H](F)Cn1ccc2nc(Nc3cnn(c3)C3CCN(C)CC3)nc(NC3(C)CC3)c2c1=O |r|
C[C@@H](CN1C=Cc2c(c(nc(n2)Nc3cnn(c3)C4CCN(CC4)C)NC5(CC5)C)C1=O)F
C[C@H](CF)n1ccc2nc(Nc3cnn(c3)C3CCN(C)CC3)nc(NC3(C)CC3)c2c1=O |r|
C[C@@H](CF)n1ccc2nc(Nc3cnn(c3)C3CCN(C)CC3)nc(NC3(C)CC3)c2c1=O |r|
CC1(CC1)Nc2c3c(nc(n2)Nc4cnn(c4)C5CCN(CC5)C)C=CN(C3=O)c6cncnc6
CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(-c4cnn[nH]4)c3=O)n2)cn1
CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(-c4cn(C)nn4)c3=O)n2)cn1
CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(-c4nnc[nH]4)c3=O)n2)cn1
[H][C@@]12CN(C)[C@@]([H])(C[C@@H]1n1cc(Nc3nc(NC4(C)CC4)c4c(ccn(CC(F)F)c4=O)n3)cn1)C2 |r|
CN1CC2(CC(C2)n2cc(Nc3nc(NC4(C)CC4)c4c(ccn(CC(F)F)c4=O)n3)cn2)C1
[H][C@@]12CN(C)[C@@]([H])(C[C@@H]1n1cc(Nc3nc(NC4(C)CC4)c4c(ccn(C[C@H](C)F)c4=O)n3)cn1)C2 |r|
C[C@H](F)Cn1ccc2nc(Nc3cnn(c3)C3CC4(C3)CN(C)C4)nc(NC3(C)CC3)c2c1=O |r|
CN1CC2(CC(C2)n2cc(Nc3nc(NC4(C)CC4)c4c(ccn(-c5cn(C)nn5)c4=O)n3)cn2)C1
COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)O |r,wU:26.33,wD:23.26,33.38,(4.26,-3.23,;4.26,-1.69,;2.92,-.92,;1.6,-1.69,;.27,-.93,;-1.2,-1.41,;-2.1,-.16,;-1.2,1.09,;.27,.61,;1.6,1.38,;2.92,.61,;4.26,1.38,;4.26,2.92,;5.59,.61,;6.92,1.38,;7.08,2.91,;8.59,3.23,;9.36,1.9,;10.87,1.58,;11.34,.12,;10.31,-1.03,;8.81,-.71,;8.33,.76,;-3.64,-.16,;-4.41,1.17,;-5.95,1.17,;-6.72,-.16,;-5.95,-1.49,;-4.41,-1.49,;-8.26,-.16,;-9.03,1.17,;-9.03,-1.49,;-8.26,-2.83,;-10.57,-1.49,;-11.34,-.16,;-11.34,-2.83,)|
COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cnn(C)c1
Cn1cc(Nc2nc(NC3CCOCC3)c3nc(CC#N)ccc3n2)cn1
Cn1cc(Nc2nc(N[C@@H]3CCOC3)c3nc(CC#N)ccc3n2)cn1 |r|
Cn1cc(Nc2nc(N[C@H]3CCOC3)c3nc(CC#N)ccc3n2)cn1 |r|
Cn1cc(Nc2nc(NC3COC3)c3nc(CC#N)ccc3n2)cn1
CC(C)Nc1nc(Nc2cnn(C)c2)nc2ccc(CC#N)nc12
Cn1cc(Nc2nc(NC3CC3)c3nc(CC#N)ccc3n2)cn1
N#CCc1ccc2nc(Nc3cnn(c3)C3CCOCC3)nc(NC3CCOCC3)c2n1
CC(=O)N1CCC(CC1)n1cc(Nc2nc(NC3CCOCC3)c3nc(CC#N)ccc3n2)cn1
CC(=O)N1CCC(CC1)n1cc(Nc2nc(OC3CCOCC3)c3nc(CC#N)ccc3n2)cn1
CC(=O)N1CCC(CC1)n1cc(Nc2nc(OC3CCOCC3)c3nc(C)ccc3n2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(C)ccc3n2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)C2CC2)cn1
CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cnn(C)c2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2ccn(C)n2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cn(C)nn2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cn(C)cn2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cccnc2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cncnc2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2ccnnc2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cncnc2C)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cnc(C)nc2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cnc(C)nc2C)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(c(F)cc3n2)-c2cncnc2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(c(F)cc3n2)-c2cncnc2C)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(c(F)cc3n2)-c2cnc(C)nc2)cn1
[H][C@@]12CN(C)[C@@]([H])(C[C@H]1n1cc(Nc3nc(OC4(C)CC4)c4nc(c(F)cc4n3)-c3cnc(C)nc3)cn1)C2 |r|
[H][C@]12CN(C)[C@]([H])(C[C@H]1n1cc(Nc3nc(OC4(C)CC4)c4nc(c(F)cc4n3)-c3cnc(C)nc3)cn1)C2 |r|
CN1CC2(CC(C2)n2cc(Nc3nc(OC4(C)CC4)c4nc(c(F)cc4n3)-c3cnc(C)nc3)cn2)C1
CN1CC2(CC(C2)n2cc(Nc3nc(OC4(C)CC4)c4nc(C5CC5)c(F)cc4n3)cn2)C1
CN1CC2(CC(C2)n2cc(Nc3nc(OC4(C)CC4)c4nc(C)c(F)cc4n3)cn2)C1
CN1CC2(CC(C2)n2cc(Nc3nc(NC4(C)CC4)c4nc(c(F)cc4n3)-c3cnc(C)nc3)cn2)C1
CC(C)Nc1nc(Nc2cnn(c2)C2CC3(C2)CN(C)C3)nc2cc(F)c(nc12)-c1cnc(C)nc1
CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
NC(=O)c1cnc(Nc2cccc(O)n2)cc1Nc1ccccc1Cl
COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3
O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CCn1cc(NC(=O)c2csc(n2)-c2ccncc2)c(n1)C(N)=O
CCn1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1c[nH]nc1C(N)=O
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(C)nc1C(N)=O
CCCCn1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O
CC(C)Cn1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O
COCCn1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOC1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(CC2CCOC2)nc1C(N)=O
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(CC2(C)COC2)nc1C(N)=O
CN1CCC(CC1)n1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O
CC(=O)N1CCC(CC1)n1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O
Cc1cc(ccn1)-c1ncc(o1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1
Cc1cc(ccn1)-c1ccc(o1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1
Cc1cc(ccn1)-n1ccc(n1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1
CCc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1
NC(=O)c1nn(cc1NC(=O)c1coc(n1)-c1ccnc(c1)C1CC1)C1CCOCC1
NC(=O)c1nn(cc1NC(=O)c1coc(n1)-c1ccnc(CO)c1)C1CCOCC1
NC(=O)c1nn(cc1NC(=O)c1coc(n1)-c1ccncc1F)C1CCOCC1
NC(=O)c1nn(cc1NC(=O)c1coc(n1)-c1ccc(F)cc1)C1CCOCC1
Cn1cc(ccc1=O)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1
NC1CCCCC1Nc1ncc2ccc(C(=O)Nc3cn(CCO)nc3C(N)=O)n2n1
CCn1cc(NC(=O)c2ccc3cnc(NC4CCCCC4N)nn23)c(n1)C(N)=O
Cn1cc(NC(=O)c2ccc3cnc(NC4CCCCC4N)nn23)c(n1)C(N)=O
CC(C)(O)Cn1cc(cn1)-c1cnc2Nc3ccc(C#N)c(CCCCOc4ccccc4[C@@H](CO)Nc1n2)c3 |r|
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1
Fc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCC(CO)CC1
CC1(C)Cc2cc(NC(=O)c3cccc(n3)-c3ccnc(N)c3)c(cc2O1)N1CCC(CO)CC1
CC1(C)Cc2cc(NC(=O)c3cccc(n3)-c3ccc(N)nc3)c(cc2O1)N1CCC(CO)CC1
CC1(C)Cc2cc(NC(=O)c3cccc(n3)N3CCC[C@@H](N)C3)c(cc2O1)N1CCC(CO)CC1 |r|
CC1(C)Cc2cc(NC(=O)c3cccc(n3)N3CC[C@@H](N)C3)c(cc2O1)N1CCC(CO)CC1 |r|
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)N1CCC(CO)CC1
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccncc3)c(cc2O1)N1CCC(CO)CC1
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCC(CO)CC1
CC(=O)Nc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2CC(C)(C)Oc2cc1N1CCC(CO)CC1
CC1(C)Cc2cc(NC(=O)c3coc(n3)N3CCC[C@@H](N)C3)c(cc2O1)N1CCC(CO)CC1 |r|
CC1(C)Cc2cc(NC(=O)c3coc(n3)N3CC[C@@H](N)C3)c(cc2O1)N1CCC(CO)CC1 |r|
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)N1CCC(CN)CC1
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)N1CCC(CC1)C(N)=O
CC(C)(O)C1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1coc(n1)-c1ccnc(N)c1
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)N1CCN(CCO)CC1
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)N1CCN(CC(N)=O)CC1
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)N1CCC(O)CC1
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)N1CCOCC1
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)-c1ccoc1
Cn1cc(cn1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1coc(n1)-c1ccnc(N)c1
CCn1cc(cn1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1coc(n1)-c1ccnc(N)c1
CC(C)n1cc(cn1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1coc(n1)-c1ccnc(N)c1
Cc1noc(C)c1-c1cc2OC(C)(C)Cc2cc1NC(=O)c1coc(n1)-c1ccnc(N)c1 |(1.46,-.19,;1.06,-1.68,;2.09,-2.83,;1.32,-4.16,;-.19,-3.84,;-1.28,-4.93,;-.35,-2.31,;-1.68,-1.54,;-3.01,-2.3,;-4.34,-1.55,;-5.8,-2.02,;-6.71,-.77,;-8.05,-1.54,;-8.05,-0,;-5.8,.47,;-4.34,-0,;-3.01,.76,;-1.68,-0,;-.35,.77,;-.35,2.31,;-1.68,3.08,;.98,3.08,;1.14,4.61,;2.65,4.93,;3.42,3.6,;2.39,2.45,;4.96,3.6,;5.73,4.93,;7.27,4.93,;8.04,3.59,;7.28,2.26,;8.05,.93,;5.74,2.26,)|
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)-c1cncnc1
Cc1ncc(cn1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1coc(n1)-c1ccnc(N)c1
Cc1ccc(cn1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1coc(n1)-c1ccnc(N)c1
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)-c1ccc(nc1)C(F)(F)F
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)-c1ccc(nc1)C#N
COc1ccc(cn1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1coc(n1)-c1ccnc(N)c1
Cc1cc(ccn1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1coc(n1)-c1ccnc(N)c1
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)-c1ccnc(c1)C(F)(F)F
CC1(C)Cc2cc(NC(=O)c3coc(n3)-c3ccnc(N)c3)c(cc2O1)-c1ccnc(c1)C#N
COc1cc(ccn1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1coc(n1)-c1ccnc(N)c1
Cc1cc(cc(C)n1)-c1cc2OC(C)(C)Cc2cc1NC(=O)c1coc(n1)-c1ccnc(N)c1
CS(=O)(=O)N1CCc2cc(Nc3ncc(c(NCCCN)n3)C(F)(F)F)ccc2C1
c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)Cn3cc4cc(ccc4n3)NC(=O)c5cccc(c5)N(=O)=O
FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)nc2cc1Cl
COc1cc2c(cc1NC(=O)c3cccc(n3)[C@H](C(F)(F)F)O)cn(n2)CC(=O)N4CCOCC4
COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)[C@H](O)C(F)(F)F |r|
COCCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OC)cc2n1
COc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(O[C@H]3CCOC3)cc2n1 |r|
COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCCS(=O)(=O)C1
COc1cc2nc([nH]c2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCCS(=O)(=O)C1
COc1cc2nc(C3CCCS(=O)(=O)C3)n(C)c2cc1NC(=O)c1cccc(n1)C(F)(F)F
COc1cc2nn(CCC(C)(C)O)c(C)c2cc1NC(=O)c1cccc(n1)C(F)(F)F
CC(C)(CCc1nc2cc(c(cc2n1C)NC(=O)c3cccc(n3)C(F)(F)F)C(C)(C)O)O
CCn1c(CCC(C)(C)O)nc2cc(c(NC(=O)c3cccc(n3)C(F)(F)F)cc12)C(C)(C)O
COc1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(C)(C)O
Cc1nc2cc(-c3cc[nH]n3)c(NC(=O)c3cccc(n3)C(F)(F)F)cc2n1C
COc1cc2nn(cc2cc1C(=O)Nc1cccn(C)c1=O)[C@H]1CC[C@@H](CC1)n1ccnc1C(C)O |r,wU:25.31,wD:22.24,(4.12,-3.46,;4.12,-1.92,;2.78,-1.15,;1.45,-1.93,;.11,-1.15,;-1.35,-1.63,;-2.26,-.38,;-1.35,.86,;.11,.39,;1.45,1.16,;2.78,.39,;4.12,1.16,;4.12,2.69,;5.45,.39,;6.78,1.16,;6.78,2.69,;8.12,3.46,;9.45,2.69,;9.45,1.15,;10.78,.39,;8.12,.39,;8.12,-1.15,;-3.8,-.38,;-4.57,.95,;-6.11,.95,;-6.88,-.38,;-6.11,-1.72,;-4.57,-1.72,;-8.42,-.38,;-9.32,-1.63,;-10.78,-1.15,;-10.78,.38,;-9.32,.86,;-8.92,2.35,;-7.43,2.75,;-10.01,3.44,)|
COc1cnc2c(NC(=O)c3cn4cc(C56COC(C)(C5)C6)nc4nc3OC(C)C)cnn2c1
CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1ccn(C)n1
CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1ccn(CC(F)F)n1
CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1ccn(C2CC2)n1
Cc1cc(-n2ccc(NC(=O)c3cn4cc(C56COC(C)(C5)C6)nc4nc3OC(C)C)n2)ccn1
CCn1cccc(NC(=O)c2cn3cc(C45COC(C)(C4)C5)nc3nc2OC(C)C)c1=O
CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn(C2(C)CC2)c1=O
CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn([C@H]2CC[C@H]2F)c1=O
CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn(C2COC2)c1=O
COCC12CC(c3cn4cc(C(=O)Nc5cccn(C6CC6)c5=O)c(OC(C)C)nc4n3)(CO1)C2
CC(C)Oc1nc2nc(C34COC(CF)(C3)C4)cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
COc1cc(N2CCN(C(=O)C3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1
COc1cc(N2CCN(C(=O)CCOCC#Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1
COc1cc(N2CCN(C(=O)CCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1
COc1cc(N2CCN(C(=O)CCCCCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1
COc1cc(N2CCN(CC(=O)NCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1
CCOc1cc2nc(C3CC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
CCOc1cc2nc(C(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)F)n1
CCOc1cc2nc(C3(OC)CC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
CCOc1cc2nc(CCOC)cn2cc1NC(=O)c1cccc(C(F)F)n1
CCOc1cc2nc(CCCOC)cn2cc1NC(=O)c1cccc(C(F)F)n1
CCOc1cc2nc(C[C@@H]3CCOC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
CCOc1cc2nc(C34COC(C)(C3)C4)cn2cc1NC(=O)c1cccc(C(F)F)n1
CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
Cc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
COc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C3CCOCC3)nc12
Cc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12
CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1
CC(C)Oc1cc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2cccnc12
CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2cccnc12
CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2ccncc12
CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2cc(F)cnc12
Cc1cnc2c(NC(=O)c3cn4cc(C56COC(C)(C5)C6)nc4c(F)c3OC(C)C)cnn2c1
COc1cc2c(O[C@H]3CC[C@@H](N)CC3)ncnc2cc1OCc1ccccc1
C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
N#CC1(CNc2cccc(-c3cc(Nc4cnn(Cc5ccc(C(=O)Nc6ccccc6N)cc5)c4)ncc3Cl)n2)CCOCC1
CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)cn2)cc1
CCOc1nc2c(cc1C(=O)Nc1cccc(-c3ccn(C)n3)n1)CC(C)(C)O2
CCOc1nc2c(cc1C(=O)Nc1cccc(-c3ccnn3C)n1)CC(C)(C)O2
CCOc1nc2c(cc1C(=O)Nc1cnn3cccnc13)CC(C)(C)O2
CCOc1nc2c(cc1C(=O)Nc1cccc(OC)n1)CC(C)(C)O2
CCOc1nc2c(cc1C(=O)Nc1cccc(C)n1)CC(C)(C)O2
CCOc1nc2c(cc1C(=O)Nc1cccc(C(F)F)n1)CC(C)(C)O2
CCOc1nc2c(cc1C(=O)Nc1cccc(C(F)(F)F)n1)CC(C)(C)O2
CCOc1nc2c(cc1C(=O)Nc1cnn(C)c1)CC(C)(C)O2
CNCCOc1nc2c(cc1C(=O)Nc1cccc(-c3cnn(C)c3)n1)CC(C)(C)O2
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@H]3C[C@@H](O)C3)OC(C)(C)C4)n2)cn1
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
CC(C)CCNC(=O)c1ccc2c(c1)nc(Nc1n[nH]c3ccc(-c4ccccc4OC(F)(F)F)cc13)n2C1CCC(O)CC1
O=C(Nc1ccc(CN2CCNCC2)c(C(F)(F)F)c1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1
CCO[C@H]1CC[C@@H](n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3nc(F)ccc3F)n2)CC1
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C3COC3)cc2n1
Cc1cc(-c2nc(C(=O)Nc3cc4cn(CCC(C)(C)O)nc4cc3C(C)(C)O)co2)ccn1
CC(C)Oc1cc2nc(C[C@H]3CCOC3)cn2cc1C(=O)Nc1cccn(C)c1=O
CC(C)Oc1nc2nc(C[C@H]3CCOC3)cn2cc1C(=O)Nc1cccn(C)c1=O
CC(C)Oc1cc2nn(C[C@H]3CCOC3)cc2cc1C(=O)Nc1cccn(C)c1=O
CC(C)Oc1nc2nn(C[C@H]3CCOC3)cc2cc1C(=O)Nc1cccn(C)c1=O
CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C)c1=O
CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C)c1=O
CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C2CCC2)c1=O
CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C(C)C)c1=O
CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C(C)(C)C)c1=O
CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@@H]2C[C@H]2C)c1=O
CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2C)c1=O
CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2C)c1=O
CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2C)c1=O
CC(C)Oc1c(cc2cn(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)[C@H]6C[C@H]6F
CC(C)Oc1c(cc2cn(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)[C@@H]6C[C@@H]6F
CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=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
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC2CC2C1
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
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC