3937 SMILES Strings for Tyrosine-protein kinase Mer

Compound Name
SMILES String
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|
C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F |r|
Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
N#CCC(C1CCN(C1)c1nc2cccnc2o1)n1cc(cn1)-c1ncnc2[nH]ccc12
Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)CC1)C#N
Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2ccc(c2)-c2ncnc3[nH]ccc23)CC1)C#N
Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
OC1CN(Cc2cc(OC3CCN(CC3)[C@H]3C[C@@](CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1 |r,wU:17.23,wD:15.15,(2.14,12.62,;1.05,11.53,;1.05,9.99,;-.49,9.99,;-1.58,8.91,;-1.18,7.42,;-2.27,6.33,;-1.87,4.84,;-2.96,3.75,;-2.56,2.27,;-3.65,1.18,;-3.25,-.31,;-1.77,-.71,;-.68,.38,;-1.08,1.87,;-1.37,-2.2,;-2.14,-3.53,;-.8,-4.3,;.68,-4.7,;1.77,-3.61,;2.86,-2.52,;-.03,-2.97,;-1.57,-5.63,;-1.1,-7.1,;-2.34,-8,;-3.59,-7.1,;-3.11,-5.63,;-2.34,-9.54,;-3.68,-10.31,;-3.68,-11.85,;-2.34,-12.62,;-1.01,-11.85,;.45,-12.33,;1.36,-11.08,;.45,-9.84,;-1.01,-10.31,;-.39,4.44,;.7,5.53,;.3,7.02,;2.19,5.13,;3.28,6.22,;2.59,3.65,;3.68,4.74,;-.49,11.53,)|
OC[C@@H]1CCCN1Cc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:20.27,2.1,wD:18.19,(3.36,8.8,;1.82,8.8,;1.05,10.14,;1.52,11.59,;.29,12.48,;-.95,11.59,;-.49,10.14,;-1.58,9.05,;-1.18,7.56,;-2.27,6.47,;-1.87,4.98,;-2.96,3.9,;-2.56,2.41,;-3.65,1.32,;-3.25,-.17,;-1.77,-.57,;-.68,.52,;-1.08,2.01,;-1.37,-2.05,;-2.14,-3.39,;-.8,-4.16,;.68,-4.56,;1.77,-3.47,;2.86,-2.38,;-.03,-2.82,;-1.57,-5.49,;-1.1,-6.96,;-2.34,-7.86,;-3.59,-6.96,;-3.11,-5.49,;-2.34,-9.4,;-3.68,-10.17,;-3.68,-11.71,;-2.34,-12.48,;-1.01,-11.71,;.45,-12.19,;1.36,-10.94,;.45,-9.7,;-1.01,-10.17,;-.39,4.59,;.7,5.67,;.3,7.16,;2.19,5.28,;3.28,6.37,;2.59,3.79,;3.68,4.88,)|
C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F |r|
CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
OCCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(n1)C(F)(F)F |r,wU:10.13,7.6,(9.15,6.25,;7.82,5.48,;6.48,6.25,;5.15,5.48,;3.82,6.25,;2.48,5.48,;1.15,6.25,;-.18,5.48,;-.18,3.94,;-1.52,3.17,;-2.85,3.94,;-2.85,5.48,;-1.52,6.25,;-4.19,3.17,;-4.58,1.68,;-6.07,2.08,;-7.61,2.08,;-8.38,3.41,;-9.15,4.74,;-5.67,3.56,;-6.84,.74,;-6.37,-.72,;-7.61,-1.63,;-8.86,-.72,;-8.38,.74,;-7.61,-3.17,;-8.95,-3.94,;-8.95,-5.48,;-7.61,-6.25,;-6.28,-5.48,;-4.81,-5.95,;-3.91,-4.71,;-4.81,-3.46,;-6.28,-3.94,;2.48,3.94,;3.82,3.17,;5.15,3.94,;3.82,1.63,;5.15,.86,;2.48,.86,;3.82,.09,)|
CCNCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:11.14,8.7,(9.82,5.48,;8.48,6.25,;7.15,5.48,;5.82,6.25,;4.48,5.48,;3.15,6.25,;1.82,5.48,;.48,6.25,;-.85,5.48,;-.85,3.94,;-2.18,3.17,;-3.52,3.94,;-3.52,5.48,;-2.18,6.25,;-4.85,3.17,;-5.25,1.68,;-6.74,2.08,;-8.28,2.08,;-9.05,3.41,;-9.82,4.74,;-6.34,3.56,;-7.51,.74,;-7.03,-.72,;-8.28,-1.63,;-9.52,-.72,;-9.05,.74,;-8.28,-3.17,;-9.61,-3.94,;-9.61,-5.48,;-8.28,-6.25,;-6.94,-5.48,;-5.48,-5.95,;-4.57,-4.71,;-5.48,-3.46,;-6.94,-3.94,;1.82,3.94,;3.15,3.17,;4.48,3.94,;3.15,1.63,;4.48,.86,;1.82,.86,;3.15,.09,)|
CC(C)(O)c1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:11.14,8.7,(8.48,4.71,;7.15,5.48,;7.15,7.02,;8.48,6.25,;5.82,4.71,;4.48,5.48,;3.15,4.71,;1.82,5.48,;.48,4.71,;.48,3.17,;-.85,2.4,;-2.18,3.17,;-2.18,4.71,;-.85,5.48,;-3.52,2.4,;-3.92,.91,;-5.4,1.31,;-6.94,1.31,;-7.71,2.64,;-8.48,3.97,;-5.01,2.79,;-6.17,-.03,;-5.7,-1.49,;-6.94,-2.4,;-8.19,-1.49,;-7.71,-.03,;-6.94,-3.94,;-8.28,-4.71,;-8.28,-6.25,;-6.94,-7.02,;-5.61,-6.25,;-4.15,-6.72,;-3.24,-5.48,;-4.15,-4.23,;-5.61,-4.71,;3.15,3.17,;4.48,2.4,;5.82,3.17,;4.48,.86,;5.82,.09,;3.15,.09,;4.48,-.68,)|
O[C@@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1 |r,wU:13.16,10.9,1.0,(.78,4.73,;-.7,5.13,;-1.18,6.59,;-2.72,6.59,;-3.2,5.13,;-4.68,4.73,;-5.08,3.24,;-3.99,2.15,;-4.39,.66,;-3.3,-.43,;-1.81,-.03,;-1.42,1.46,;.07,1.86,;1.16,.77,;.76,-.72,;-.73,-1.12,;2.65,1.17,;3.42,2.5,;4.75,1.73,;5.52,3.07,;7.06,3.07,;8.6,3.07,;3.98,.4,;5.52,.4,;5.05,-1.07,;6.29,-1.97,;7.54,-1.07,;7.06,.4,;6.29,-3.51,;4.96,-4.28,;4.96,-5.82,;6.29,-6.59,;7.63,-5.82,;9.09,-6.3,;10,-5.05,;9.09,-3.81,;7.63,-4.28,;-5.88,.27,;-6.97,1.35,;-6.57,2.84,;-8.46,.96,;-9.54,2.04,;-8.85,-.53,;-10,.96,;-1.95,4.22,)|
O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1 |r,wU:13.16,10.9,wD:1.0,(.78,4.73,;-.7,5.13,;-1.18,6.59,;-2.72,6.59,;-3.2,5.13,;-4.68,4.73,;-5.08,3.24,;-3.99,2.15,;-4.39,.66,;-3.3,-.43,;-1.81,-.03,;-1.42,1.46,;.07,1.86,;1.16,.77,;.76,-.72,;-.73,-1.12,;2.65,1.17,;3.42,2.5,;4.75,1.73,;5.52,3.07,;7.06,3.07,;8.6,3.07,;3.98,.4,;5.52,.4,;5.05,-1.07,;6.29,-1.97,;7.54,-1.07,;7.06,.4,;6.29,-3.51,;4.96,-4.28,;4.96,-5.82,;6.29,-6.59,;7.63,-5.82,;9.09,-6.3,;10,-5.05,;9.09,-3.81,;7.63,-4.28,;-5.88,.27,;-6.97,1.35,;-6.57,2.84,;-8.46,.96,;-9.54,2.04,;-8.85,-.53,;-10,.96,;-1.95,4.22,)|
C[C@@H](CO)NCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:18.24,1.0,wD:16.16,(-2.38,11.91,;-.89,11.51,;.2,12.6,;1.69,12.2,;-.49,10.02,;-1.58,8.93,;-1.18,7.44,;-2.27,6.36,;-1.87,4.87,;-2.96,3.78,;-2.56,2.29,;-3.65,1.2,;-3.25,-.28,;-1.77,-.68,;-.68,.41,;-1.08,1.89,;-1.37,-2.17,;-2.14,-3.5,;-.8,-4.27,;.68,-4.67,;1.77,-3.58,;2.86,-2.49,;-.03,-2.94,;-1.57,-5.61,;-1.1,-7.07,;-2.34,-7.98,;-3.59,-7.07,;-3.11,-5.61,;-2.34,-9.52,;-3.68,-10.29,;-3.68,-11.83,;-2.34,-12.6,;-1.01,-11.83,;.45,-12.3,;1.36,-11.06,;.45,-9.81,;-1.01,-10.29,;-.39,4.47,;.7,5.56,;.3,7.05,;2.19,5.16,;3.28,6.25,;2.59,3.67,;3.68,4.76,)|
C[C@@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:18.24,1.1,wD:16.16,(-.2,13.34,;.2,11.85,;1.69,11.45,;-.89,10.76,;-.49,9.28,;-1.58,8.19,;-1.18,6.7,;-2.27,5.61,;-1.87,4.12,;-2.96,3.04,;-2.56,1.55,;-3.65,.46,;-3.25,-1.03,;-1.77,-1.43,;-.68,-.34,;-1.08,1.15,;-1.37,-2.91,;-2.14,-4.25,;-.8,-5.02,;.68,-5.42,;1.77,-4.33,;2.86,-3.24,;-.03,-3.68,;-1.57,-6.35,;-1.1,-7.82,;-2.34,-8.72,;-3.59,-7.82,;-3.11,-6.35,;-2.34,-10.26,;-3.68,-11.03,;-3.68,-12.57,;-2.34,-13.34,;-1.01,-12.57,;.45,-13.05,;1.36,-11.8,;.45,-10.56,;-1.01,-11.03,;-.39,3.73,;.7,4.81,;.3,6.3,;2.19,4.42,;3.28,5.51,;2.59,2.93,;3.68,4.02,)|
C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:18.24,wD:16.16,1.1,(-.2,13.34,;.2,11.85,;1.69,11.45,;-.89,10.76,;-.49,9.28,;-1.58,8.19,;-1.18,6.7,;-2.27,5.61,;-1.87,4.12,;-2.96,3.04,;-2.56,1.55,;-3.65,.46,;-3.25,-1.03,;-1.77,-1.43,;-.68,-.34,;-1.08,1.15,;-1.37,-2.91,;-2.14,-4.25,;-.8,-5.02,;.68,-5.42,;1.77,-4.33,;2.86,-3.24,;-.03,-3.68,;-1.57,-6.35,;-1.1,-7.82,;-2.34,-8.72,;-3.59,-7.82,;-3.11,-6.35,;-2.34,-10.26,;-3.68,-11.03,;-3.68,-12.57,;-2.34,-13.34,;-1.01,-12.57,;.45,-13.05,;1.36,-11.8,;.45,-10.56,;-1.01,-11.03,;-.39,3.73,;.7,4.81,;.3,6.3,;2.19,4.42,;3.28,5.51,;2.59,2.93,;3.68,4.02,)|
OCCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:15.21,wD:13.13,(-.89,12.05,;-.49,10.57,;-1.58,9.48,;-1.18,7.99,;-2.27,6.9,;-1.87,5.41,;-2.96,4.32,;-2.56,2.84,;-3.65,1.75,;-3.25,.26,;-1.77,-.14,;-.68,.95,;-1.08,2.44,;-1.37,-1.63,;-2.14,-2.96,;-.8,-3.73,;.68,-4.13,;1.77,-3.04,;2.86,-1.95,;-.03,-2.4,;-1.57,-5.06,;-1.1,-6.53,;-2.34,-7.43,;-3.59,-6.53,;-3.11,-5.06,;-2.34,-8.97,;-3.68,-9.74,;-3.68,-11.28,;-2.34,-12.05,;-1.01,-11.28,;.45,-11.76,;1.36,-10.51,;.45,-9.27,;-1.01,-9.74,;-.39,5.01,;.7,6.1,;.3,7.59,;2.19,5.7,;3.28,6.79,;2.59,4.22,;3.68,5.31,)|
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1 |r|
COc1c(cc(Cl)c([N+]#[C-])c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
Cn1nccc1C(=O)NCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c(C)c(C#N)c1-c1cccc(F)c1
O=C(NCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12)N1CCOCC1
N#CCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
CC(C)C(=O)NCCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
O=C(NCCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12)C1CC1
NCC1(Cc2ccc(CNC3CC3)cc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(CNC3CCC3)cc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(CNC3CC(F)(F)C3)cc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(CN3CCC[C@@H]3C(N)=O)cc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12 |r|
NCC1(Cc2ccc(CN3CC[C@@H](C3)C(N)=O)cc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12 |r|
NCC1(Cc2ccc(CN3CC[C@@H](C3)C#N)cc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12 |r|
NCC1(Cc2ccc(CN3CCC3)cc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(CN3CC(F)C3)cc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(CN3CC(O)C3)cc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)C#N)c1cccc(c1)-c1ncnc2[nH]ccc12
O=C(NCC1(Cc2ccc(cc2C1)C#N)c1cccc(c1)-c1ncnc2[nH]ccc12)C1CC1
NCC1(Cc2ccc(cc2C1)N1CC[C@@H](C1)C#N)c1cccc(c1)-c1ncnc2[nH]ccc12 |r|
CN(C)C1CCN(C1)c1ccc2CC(CN)(Cc2c1)c1cccc(c1)-c1ncnc2[nH]ccc12
CNC1CCN(C1)c1ccc2CC(CN)(Cc2c1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)N1CCC(O)C1)c1cccc(c1)-c1ncnc2[nH]ccc12
CC(O)C1CCN(C1)c1ccc2CC(CN)(Cc2c1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)N1CC(F)C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)N1CC(O)C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)N1CCCC(O)C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)N1CCC(CC1)C#N)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(NC3CCOCC3)cc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)N1CCCC1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)N1CCCCC1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)N1CCOCC1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)N1CCC(O)CC1)c1cccc(c1)-c1ncnc2[nH]ccc12
COCCNc1ccc2CC(CN)(Cc2c1)c1cccc(c1)-c1ncnc2[nH]ccc12
COCCCNc1ccc2CC(CN)(Cc2c1)c1cccc(c1)-c1ncnc2[nH]ccc12
COCC1(CC1)Nc1ccc2CC(CN)(Cc2c1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)-c1ccccc1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)-c1ccccc1F)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)-c1cccc(F)c1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)-c1ccc(F)cc1)c1cccc(c1)-c1ncnc2[nH]ccc12
CN(C)c1ccc(cc1)-c1ccc2CC(CN)(Cc2c1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)-c1ccc2nccn2c1)c1cccc(c1)-c1ncnc2[nH]ccc12
Cn1cnc2cc(cnc12)-c1ccc2CC(CN)(Cc2c1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)-c1ccc(nc1)N1CCCC1)c1cccc(c1)-c1ncnc2[nH]ccc12
CCn1cnc(c1)-c1ccc2CC(CN)(Cc2c1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)-c1cccnc1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccc(cc2C1)-c1ccncc1)c1cccc(c1)-c1ncnc2[nH]ccc12
CCCCNc1nc(-c2cccc(c2)C2(CN)Cc3ccccc3C2)c2cc[nH]c2n1
CNc1nc(-c2cccc(c2)C2(CN)Cc3ccccc3C2)c2cc[nH]c2n1
CCNc1nc(-c2cccc(c2)C2(CN)Cc3ccccc3C2)c2cc[nH]c2n1
CC(C)Nc1nc(-c2cccc(c2)C2(CN)Cc3ccccc3C2)c2cc[nH]c2n1
NCC1(Cc2ccccc2C1)c1cccc(c1)-c1nc(NC2CCC2)nc2[nH]ccc12
NCC1(Cc2ccccc2C1)c1cccc(c1)-c1nc(NC2CCCC2)nc2[nH]ccc12
NCC1(Cc2ccccc2C1)c1cccc(c1)-c1nc(NC2CCCCC2)nc2[nH]ccc12
Cc1cc2c(ncnc2[nH]1)-c1cccc(c1)C1(CN)Cc2ccccc2C1
Cn1cc(Nc2nc(-c3ccnc(c3)C3(CN)Cc4ccccc4C3)c3cc[nH]c3n2)cn1
NCC1(Cc2ccccc2C1)c1cc(ccn1)-c1nc(Nc2cccc(CN3CCOCC3)c2)nc2[nH]ccc12
COc1cnc2[nH]ccc2c1-c1ccnc(c1)C1(CN)Cc2ccccc2C1
NCC1(Cc2ccccc2C1)c1cc(ccn1)-c1ccnc(N)c1C=N
NC[C@@]1(CC(O)c2ccccc12)c1cccc(c1)-c1ncnc2[nH]ncc12 |r|
NC[C@]1(CC(O)c2ccccc12)c1cccc(c1)-c1ncnc2[nH]ncc12 |r|
NCC1(CCc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
NCC1(Cc2ccccc2C1)n1cc(ccc1=O)-c1ncnc2[nH]ccc12
Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(c1)C(F)(F)F
FC(F)(F)c1nccc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
FC(F)(F)c1nccc(n1)C(=O)N1CCN(CC1)[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r,wU:20
OC[C@H]1CCCN1Cc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:20.27,wD:18.19,2.1,(3.36,8.8,;1.82,8.8,;1.05,10.14,;1.52,11.59,;.29,12.48,;-.95,11.59,;-.49,10.14,;-1.58,9.05,;-1.18,7.56,;-2.27,6.47,;-1.87,4.98,;-2.96,3.9,;-2.56,2.41,;-3.65,1.32,;-3.25,-.17,;-1.77,-.57,;-.68,.52,;-1.08,2.01,;-1.37,-2.05,;-2.14,-3.39,;-.8,-4.16,;.68,-4.56,;1.77,-3.47,;2.86,-2.38,;-.03,-2.82,;-1.57,-5.49,;-1.1,-6.96,;-2.34,-7.86,;-3.59,-6.96,;-3.11,-5.49,;-2.34,-9.4,;-3.68,-10.17,;-3.68,-11.71,;-2.34,-12.48,;-1.01,-11.71,;.45,-12.19,;1.36,-10.94,;.45,-9.7,;-1.01,-10.17,;-.39,4.59,;.7,5.67,;.3,7.16,;2.19,5.28,;3.28,6.37,;2.59,3.79,;3.68,4.88,)|
CN(C)Cc1cc(F)cc(OC2CCN(CC(CC#N)n3cc(cn3)-c3cccc4[nH]ccc34)CC2)c1
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC1CCCC1OCc1ccccc1
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC1CCC[C@@H]1OCc1ccccc1 |r|
Cc1ccccc1CO[C@H]1CCC[C@@H]1NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
CCc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
CCc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CC(C)c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1C |r|
Cc1ccc(CO[C@@H]2CCC[C@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1C |r|
Cc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1C |r|
Cc1cccc(C)c1CO[C@H]1CCC[C@@H]1NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
Cc1ccc(C)c(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
Cc1cc(C)cc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c(C)c1 |r|
CCc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1C |r|
CCc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1CC |r|
CCc1cc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)ccc1C |r|
CCCc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(c1)C1CCCC1 |r|
CC(C)c1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(c1)C1CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(c1)C#C |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)C(F)(F)F |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(c1)[N+]([O-])=O |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(c1)C#N |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(O)c1 |r|
COc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
COc1cccc(CO[C@@H]2CCC[C@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
COc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
COc1ccc(CO[C@@H]2CCC[C@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
COc1cc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc(OC)c1 |r|
COc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1OC |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(Oc2ccccc2)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc2OCOc2c1 |r|
CSc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
COC(=O)c1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(Cl)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC1CCC[C@@H]1OCc1cccc(Cl)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC1CCC[C@@H]1OCc1ccc(Cl)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(Cl)c(Cl)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1F |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(F)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(Br)cc1F |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cc(F)c(F)cc1F |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(Br)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(F)c(Br)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@@H]1CCC[C@H]1OCc1ccc(F)c(Br)c1 |r|
CC(O[C@H]1CCC[C@@H]1NC(=O)c1cc(cnc1N)-c1cnn(C)c1)c1ccc(Br)cc1 |r|
COC(=O)CNC(=O)c1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(c1)C(=O)NCCO |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(NC(=O)C2CCNCC2)c1 |r|
C[C@H](N)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
C[C@H](NC(C)=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(NC(=O)CCN)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(c1)-n1nccn1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-n1nccn1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc2ccccc2c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc2cccnc12 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)C1=CCCCC1 |r,t:33|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1-c1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(c1)-c1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1O |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC1CCC[C@H]1O |r|
CCNc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1)-c1cnn(C)c1 |r|
Cc1ccc(CNc2ncc(cc2C(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)-c2cnn(C)c2)cc1C |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC2(OCCO2)[C@@H]1OCc1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC1CCCC[C@@H]1OCc1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1 |r|
CN(Cc1ccccc1)[C@H]1CCCC1NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1COc1ccccc1 |r|
Cc1ccc(OC[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1C |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC1[C@@H](COc2ccccc2)CCC1(F)F |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1COc1ccc2CCCc2c1 |r|
Cc1cc(OC[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc(C)c1C |r|
CN(C)c1cccc(OC[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1COc1cccc(c1)C(=O)N1CCCCC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1COc1ccc(Oc2ccccc2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1COCc1ccccc1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(OC[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)O[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1CCc1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC1COC[C@@H]1OCc1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC1COC[C@@H]1N1CCOCC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC1COC[C@@H]1N1CCCC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC1COC[C@H]1O |r|
CN1CC(NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccccc1 |r|
CC(C)N1CC(NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccccc1 |r|
C[C@H](CNC(=O)c1cc(cnc1N)-c1cnn(C)c1)OCc1ccccc1 |r|
C[C@@H](CNC(=O)c1cc(cnc1N)-c1cnn(C)c1)OCc1ccccc1 |r|
C[C@@H](COCc1ccccc1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
C[C@H](COCc1ccccc1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC(C)(C)COCc1ccccc1
C[C@H](COCc1ccc(C)c(C)c1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
C[C@@H](CNC(=O)c1cc(cnc1N)-c1cnn(C)c1)OCc1ccc(C)c(C)c1 |r|
C[C@H](COCc1ccc(Cl)cc1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
C[C@@H](CNC(=O)c1cc(cnc1N)-c1cnn(C)c1)OCc1ccc(Cl)cc1 |r|
C[C@H](COCc1ccc(Cl)c(Cl)c1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
C[C@@H](CNC(=O)c1cc(cnc1N)-c1cnn(C)c1)OCc1ccc(Cl)c(Cl)c1 |r|
COc1cccc(COC[C@@H](C)NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
COc1cccc(CO[C@@H](C)CNC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
CC[C@H](COCc1ccccc1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
CC(C)[C@@H](COCc1ccccc1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
CC(C)[C@H](COCc1ccccc1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
CC(C)C[C@@H](COCc1ccccc1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
CC(C)C[C@H](COCc1ccccc1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@@H](COCc1ccccc1)C1CCCCC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@@H](CO)C1CCCCC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H](COCc1ccccc1)Cc1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@@H](COCc1ccccc1)Cc1ccccc1 |r|
C[C@H](COCC1CCC1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
COC(=O)[C@H](COCc1ccccc1)NC(=O)c1cc(cnc1N)-c1cnn(C)c1 |r|
COC(=O)[C@@H](NC(=O)c1cc(cnc1N)-c1cnn(C)c1)[C@@H](C)OCc1ccccc1 |r|
CNC(=O)[C@@H](NC(=O)c1cc(cnc1N)-c1cnn(C)c1)[C@@H](C)OCc1ccccc1 |r|
CCCNC(=O)[C@@H](NC(=O)c1cc(cnc1N)-c1cnn(C)c1)[C@@H](C)OCc1ccccc1 |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(cnc1N)-c1cnn(C)c1)C(=O)NC1CCCC1 |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(cnc1N)-c1cnn(C)c1)C(=O)N1CCCC1 |r|
CC(NC(=O)c1cc(cnc1N)-c1cnn(C)c1)C(=O)OCc1ccccc1
CC(C)C(NC(=O)c1cc(cnc1N)-c1cnn(C)c1)C(=O)OCc1ccccc1
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NC(CO)C(=O)OCc1ccccc1
Cn1cc(cn1)-c1cnc(N)c(n1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2nc(cnc2N)-c2cnn(C)c2)cc1C |r|
Cn1cc(cn1)-c1cnc(N)c(n1)C(=O)N[C@H]1CCCc2ccccc12 |r|
Cn1cc(cn1)-c1cnc(N)c(n1)C(=O)NC1COC[C@@H]1OCc1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(n1)C(=O)NC1COC[C@H]1OCc1ccccc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1cccc(N)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(N)cc1 |r|
CNc1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CN(C)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CN(C)Cc1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Cc1c(N)cccc1-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1cccc(O)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1cccc(CO)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CO)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1cccc(CN)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CCN)cc1 |r|
CN1CCN(CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(nc1)N1CCNCC1 |r|
CN1CCN(CC1)c1ccc(cn1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1cccc(c1)N1CCNCC1 |r|
CN1CCN(CC1)c1cccc(c1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CN1CCN(Cc2cccc(c2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
CCc1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CC#N)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C(N)=O |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)c(F)c2)CC1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)c(F)c2)C[C@@H](C)N1C |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)c(c2)C(F)(F)F)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2Cl)CC1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)c(F)c2)C[C@@H](C)N1CCO |r|
CN1CCN(CCc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1cnn(c1)C1CCNCC1 |r|
CN1CCC(CC1)n1cc(cn1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(CC1)C(C)(C)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cccnc2N)cc1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cccnc3N)c(c2)C(F)(F)F)CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(c1)-c1cccc(O)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(c1)-c1cccc(N)c1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(c1)-c1cccc(CO)c1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CNCCO)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCOCC2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCCC(F)(F)C2)cc1 |r|
CC1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCNCC2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2ccccc2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCC(CC2)N2CCCC2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCC(O)CC2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CC(C)(C)O)CC2)cc1 |r|
CCN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CC2)C2CC2)cc1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CCN1 |r|
C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CCN1C |r|
C[C@@H]1CN(C)CCN1Cc1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CCC1CN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CCN1C |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)C[C@@H](C)N1C |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)C(C)CN1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)C(C)CN1C |r|
CN(C)C1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)C1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3nc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2F)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2c(F)cc(cc2F)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2C(F)(F)F)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2C)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2O)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2[N+]([O-])=O)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
COc1cc(ccc1CN1CCN(C)CC1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CN1CCN(Cc2ccc(c(Cl)c2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cn2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(nc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)c(c1)C(F)(F)F |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)cc1Cl |r|
CN1CCN(Cc2ccc(cc2C(F)(F)F)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cccnc3N)cc2)CC1 |r|
CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CC(N1C[C@H](C)N(C)[C@H](C)C1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CC(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CC(N1C[C@H](C)N(CCO)[C@H](C)C1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CC(N1CCN(CCO)CC1)c1c(F)cc(cc1F)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
C[C@@H](N1CCNCC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
C[C@@H](N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
C[C@H](N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CN1CCN(CC1)C1(CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CN1CCN(CC1)C(C)(C)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
C[C@@H](N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
C[C@H](N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C1(CC1)N1CCN(CCO)CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C(C)(C)N1CCN(CCO)CC1 |r|
C[C@H](N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
CN1CCN(CC1)C1(CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
CN1CCN(CC1)C(C)(C)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
C[C@H](N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
C[C@@H](N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
Nc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C1(CC1)N1CCN(CCO)CC1)-c1ccc(F)nc1 |r|
CC(C)(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cncc(F)c2)cc1 |r|
CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(Cl)cnc2N)cc1 |r|
CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(F)cnc2N)cc1 |r|
CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)[N+]#[C-])cc1 |r|
CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2ccc(Cl)nc2N)cc1 |r|
CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cccnc2N)cc1 |r|
CC(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cncc(F)c2)cc1 |r|
CC(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
CC(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccnc2F)cc1 |r|
CN1CCC(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CC2CCN(CCO)CC2)cc1 |r|
COC(=O)CN1CCC(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CC2CCN(CC(N)=O)CC2)cc1 |r|
CN1CCN(CCCc2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN(C)CCCc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CN(C)CCOc1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CN(C)CCCOc1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CN1CCC(CC1)Oc1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CN(C)CC#Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)C#CCCO |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)C#CCCCO |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)C#CCCCCO |r|
CN1CCN(CCC#Cc2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)CC1 |r|
Nc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1)-c1cnn(c1)C1CCNCC1 |r|
CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
CCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
CC(C)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Nc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1)-c1cnn(c1)C1CCN(CC2CCNC2)CC1 |r|
Nc1ncc(cc1C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1)-c1cnn(c1)C1CCNCC1 |r|
Nc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(Cl)c(Cl)c1)-c1cnn(c1)C1CCNCC1 |r|
Cn1cc(c(CO)n1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Cn1cc(c(CNCCO)n1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Cn1cc(c(CN2CCCC(O)C2)n1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Nc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1)-c1ccc(cc1)[N+]#[C-] |r|
Nc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1)-c1cccc(c1)[N+]#[C-] |r|
Nc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1)-c1ccc(C[N+]#[C-])cc1 |r|
Nc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1)-c1ccc(Oc2ccccc2)cc1 |r|
CN1CCC(CC1)NC(=O)c1cccc(c1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Nc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1)-c1ccc(CO)nc1 |r|
CN1CCN(Cc2ccc(cc2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2cccc(C)c2)CC1 |r|
CN1CCN(CC1)C(=O)c1cccc(c1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(C)c1 |r|
Cc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(c2)C(=O)N2CCC(CC2)N2CCCC2)c1 |r|
CN1CCN(Cc2cccc(c2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2cccc(C)c2)CC1 |r|
CN1CCN(Cc2ccc(cc2F)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2cccc(C)c2)CC1 |r|
Cc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(CC3)N3CCCC3)cc2)c1 |r|
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(C)c1 |r|
Cc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)c1 |r|
CN1CCC(CC1)NC(=O)Cc1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(C)c1 |r|
CN1CCN(CC(=O)c2ccc(cc2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2cccc(C)c2)CC1 |r|
Cc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(CC3)N3CCCC3)c(F)c2)c1 |r|
CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1cccc(C)c1 |r|
Cc1cccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCNCC3)cc2)c1 |r|
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)cc1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)cc1 |r|
Cc1c(cnn1C)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1nn(C)cc1-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1nc(sc1-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1)C(C)(C)O |r|
Cc1nc(sc1-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1)C1(O)CCOC1 |r|
CN1CCN(Cc2ccc(cc2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2ccc(C)c(C)c2)CC1 |r|
CN1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCOCC3)cc2)cc1C |r|
CN(C)Cc1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCN(CCO)CC3)cc2)cc1C |r|
COc1ncccc1-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
CN(C)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(O)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(N)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(NS(C)(=O)=O)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(CO)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(CN)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(CCCO)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(CN[C@H]3CC[C@H](O)CC3)c2)cc1C |r,wU:7.6,29.30,wD:11.12,32.34,(12.12,-3.68,;11.03,-2.59,;9.55,-2.99,;8.46,-1.9,;8.86,-.41,;7.77,.67,;6.28,.28,;5.88,-1.21,;6.79,-2.46,;5.88,-3.7,;4.42,-3.23,;4.42,-1.69,;3.08,-.92,;3.08,.62,;4.42,1.39,;1.75,1.39,;.42,.62,;-.92,1.39,;-.92,2.93,;.42,3.7,;1.75,2.93,;3.08,3.7,;-2.25,.62,;-2.25,-.92,;-3.58,-1.69,;-4.92,-.92,;-4.92,.62,;-6.25,1.39,;-7.59,.62,;-8.92,1.39,;-10.25,.62,;-11.59,1.39,;-11.59,2.93,;-12.92,3.7,;-10.25,3.7,;-8.92,2.93,;-3.58,1.39,;10.34,-.02,;11.43,-1.1,;12.92,-.71,)|
CN1CCC(CC1)NCc1cccc(c1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(CN[C@H]3CCCNC3)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cc(O)cc(c2)C(O)=O)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(C(O)=O)c(C)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(N)cc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(c2)C(O)=O)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cc(N)cc(c2)C(O)=O)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cc(ccc2C)C(=O)N2CCC(CC2)N2CCCC2)cc1C |r|
CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cc(N)cc(c2)C(=O)N2CCC(CC2)N2CCCC2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CO)cc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(C=O)cc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(O)=O)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CCC(O)=O)cc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccccc2O)cc1C |r|
CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
CN1CCC(CC1)NCc1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CO)nc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(C(O)=O)c(N)c2)cc1C |r|
COc1cc(ccc1CO)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CO)c(F)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(CC3)N3CCCC3)c(F)c2)cc1C |r|
CC(O)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
CN(C)C1CCN(Cc2ccc(cc2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2ccc(C)c(C)c2)C1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(O)CC3)cc2)cc1C |r|
CN1CCC(CNCc2ccc(cc2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2ccc(C)c(C)c2)CC1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(C(=O)N3CCC(CC3)N3CCCC3)c(C)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(C(=O)N3CCC(CC3)N3CCCC3)c(N)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(CC3)N3CCCC3)c(N)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CO)c(C)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(Cl)c2)cc1C |r|
Cc1cccc(c1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1cc(C)cc(c1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(C3)N3CCOCC3)cc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(N)CC3)cc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCCC(N)C3)cc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(N)C3)cc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(N)C3)c(F)c2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cc(F)c(CN3CCC(N)C3)c(F)c2)cc1C |r|
CN(C)C1CCN(Cc2cccc(c2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2ccc(C)c(C)c2)C1 |r|
COc1ccc(cc1CN1CCC(C1)N(C)C)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CC(O)C3)cc2)cc1C |r|
CN(C)[C@@H]1CCN(Cc2ccc(cc2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2ccc(C)c(C)c2)C1 |r|
CN(C)[C@H]1CCN(Cc2ccc(cc2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2ccc(C)c(C)c2)C1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CC[C@@H](O)C3)cc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CC[C@H](O)C3)cc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCCC(O)C3)cc2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(O)cc2)cc1C |r|
COc1cc(ccc1O)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(C)c(C)c1 |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(c2)N2CCCC2)cc1C |r|
Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2N)cc1C |r|
CCc1cc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CO)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(C3)N(C)C)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(O)C3)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(C)(C)N2CCNCC2)ccc1C |r|
CCc1cc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(C)(C)N2CCN(CCO)CC2)ccc1C |r|
Nc1ncc(nc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1)-c1cnn(c1)C1CCNCC1 |r|
Nc1ncc(nc1C(=O)N[C@H]1CCCc2ccccc12)-c1cnn(c1)C1CCNCC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(F)cc3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(F)c(F)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(C)CC2)cc1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(cc3)N3CCN(C)CC3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(CN4CCN(C)CC4)cc3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(CO)cc3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cccc(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccccc3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(O)cc3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(Cl)c(F)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(C)cnc3N)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cccnc3)cc2)CC1 |r|
COc1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(C)CC2)cc1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccncc3)cc2)CC1 |r|
CC1CCN(Cc2ccc(cc2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2ccc(cc2)-c2ccc(CN3CCN(C)CC3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(CN4CCOCC4)cc3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(c3)C3CCOCC3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(cc3)N3CCOCC3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)C3=CCCCC3)cc2)CC1 |r,t:36|
COc1ccc(cc1OC)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(C)CC2)cc1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cc(F)nc(F)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cscc3C)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(F)nc3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(c3)C(F)(F)C(F)F)cc2)CC1 |r|
CCc1cc(CO[C@H]2CNCC2NC(=O)c2cc(cnc2N)-c2ccc(CO)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCN(C)CC3)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(N)=O)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc(C)c2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(O)=O)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccccc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccncc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccnc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(C=C)cnc2N)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(OC)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)[N+]#[C-])ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(NS(C)(=O)=O)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(Oc3ccccc3)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)-c2ccccc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(OCc3ccccc3)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)N(C)C)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnc3ccccc3c2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cc3ccccc3o2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccc3ccccc23)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(F)(F)F)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cc(F)c(F)cc2F)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(C[N+]#[C-])cc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(c2)C2CCNCC2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(c2)C2CCN(C)CC2)ccc1C |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CNC[C@@H]1OCc1ccccc1 |r|
Cc1ccc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CCc1cccc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1 |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)ccc1F |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)ccc1Cl |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(=O)NC2CCN(C)CC2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(=O)NC2CCC(C)CC2)ccc1C |r,wU:7.6,wD:11.12,(13.47,-1.65,;12.38,-.56,;10.89,-.96,;9.8,.13,;8.31,-.27,;7.22,.82,;5.74,.42,;5.34,-1.06,;6.24,-2.31,;5.34,-3.56,;3.87,-3.08,;3.87,-1.54,;2.54,-.77,;2.54,.77,;3.87,1.54,;1.21,1.54,;-.13,.77,;-1.46,1.54,;-1.46,3.08,;-.13,3.85,;1.21,3.08,;2.54,3.85,;-2.8,.77,;-4.13,1.54,;-5.46,.77,;-5.46,-.77,;-4.13,-1.54,;-2.8,-.77,;-6.8,-1.54,;-6.8,-3.08,;-8.13,-.77,;-9.46,-1.54,;-10.8,-.77,;-12.13,-1.54,;-12.13,-3.08,;-13.47,-3.85,;-10.8,-3.85,;-9.46,-3.08,;7.91,-1.75,;9,-2.84,;10.49,-2.44,;11.58,-3.53,)|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(=O)N2CCC(C)CC2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(=O)N(C)C)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(C)CC3)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCOCC3)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCCC(F)(F)C3)cc2)ccc1C |r|
CCc1cc(CO[C@H]2CN(C)C[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)ccc1C |r|
CCc1cc(CO[C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)ccc1C |r|
CCc1cc(CO[C@H]2CN(CCc3ccccc3)C[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)ccc1C |r|
CCc1cc(CO[C@H]2CN(CC(C)C)C[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)ccc1C |r|
CCCCN1C[C@H](NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccc(C)c(CC)c1 |r|
CCN1C[C@H](NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccc(C)c(CC)c1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CNC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1C[C@H](NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccc(cc1)-c1ccc(CN2CCN(C)CC2)cc1 |r|
CN1CCN(Cc2ccc(cc2C(F)(F)F)-c2ccc(CO[C@H]3CNC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1C[C@H](NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccc(cc1)-c1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F |r|
CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CN(C)C[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CNC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C(C)(C)N1CCN(CCO)CC1 |r|
CN1C[C@H](NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccc(cc1)-c1ccc(cc1)C(C)(C)N1CCN(CCO)CC1 |r|
CC(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
CC(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CN(C)C[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CNC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)c(c1)C(F)(F)F |r|
CN1C[C@H](NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)c(c1)C(F)(F)F |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CNC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)cc1 |r|
CN1C[C@H](NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)cc1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3COC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2C(F)(F)F)-c2ccc(CO[C@H]3COC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(CC1)C(C)(C)c1ccc(cc1)-c1ccc(CO[C@H]2COC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1COC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)cc1 |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1COC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)c(c1)C(F)(F)F |r|
Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1COC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C(C)(C)N1CCN(CCO)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3COCC3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3COCC3NC(=O)c3cccnc3N)cc2)CC1 |r|
CN1CCN(Cc2ccc(Nc3ccc(C(=O)N[C@H]4CCC[C@@H]4OCc4ccccc4)c(N)n3)cc2)CC1 |r|
Nc1nc(Nc2ccccc2)ccc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
CN1CCN(CC1)c1ccc(Nc2ccc(C(=O)N[C@H]3CCC[C@@H]3OCc3ccccc3)c(N)n2)cc1 |r|
CCCCNc1ncc(C(=O)NCCCCO)c(NC2CC[C@H](O)CC2)n1 |r,wD:22.22,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NCCCOC)c(NC2CC[C@H](O)CC2)n1 |r,wD:22.22,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(CCO)cc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.27,(-10,-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,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;4.67,1.54,;3.33,.77,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccncc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCCc2ccc(F)cc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.27,(-10,-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,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;10,1.54,;7.34,1.54,;6,.77,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)NCCCN2CCOCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.27,(-10,-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,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;10,-3.08,;10,-1.54,;8.67,-.77,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)NCCCN2CCOCC2)c(NCCCC)n1
CCCCNc1ncc(C(=O)NCc2ccccn2)c(NC2CC[C@H](O)CC2)n1 |r,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cccnc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)N(C)C)c(NC2CC[C@H](O)CC2)n1 |r,wD:27.28,(-10,-3.08,;-8.67,-2.31,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-3.33,-2.31,;-2,-3.08,;-.67,-2.31,;-.67,-.77,;.67,,;.67,1.54,;2,-.77,;3.33,,;4.67,-.77,;4.67,-2.31,;6,-3.08,;7.34,-2.31,;7.34,-.77,;6,,;8.67,-3.08,;10,-2.31,;8.67,-4.62,;-2,,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-6,2.31,;-6,3.85,;-7.34,4.62,;-4.67,4.62,;-3.33,3.85,;-3.33,-.77,)|
CCCCNc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(NC2CC[C@H](O)CC2)n1 |r,wD:28.29,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;4.67,-3.85,;3.33,-3.08,;4.67,-5.39,;6,-4.62,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)C(F)(F)F)c(NC2CC[C@H](O)CC2)n1 |r,wD:28.29,(-10,-3.18,;-8.67,-2.41,;-7.34,-3.18,;-6,-2.41,;-4.67,-3.18,;-3.33,-2.41,;-2,-3.18,;-.67,-2.41,;-.67,-.87,;.67,-.1,;.67,1.44,;2,-.87,;3.33,-.1,;4.67,-.87,;4.67,-2.41,;6,-3.18,;7.38,-2.44,;7.34,-.87,;6,-.1,;8.72,-3.21,;10.05,-3.98,;7.95,-4.54,;9.49,-1.88,;-2,-.1,;-2,1.44,;-3.33,2.21,;-4.67,1.44,;-6,2.21,;-6,3.75,;-7.34,4.52,;-4.67,4.52,;-3.33,3.75,;-3.33,-.87,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-c2ccccc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:30.32,(-10.67,-2.69,;-9.34,-1.93,;-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;,1.93,;1.33,-.38,;2.67,.38,;4,-.38,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;6.67,-.38,;5.33,.38,;8,-2.69,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.69,;9.34,-1.93,;-2.67,.38,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.38,)|
CCCCNc1ncc(C(=O)NCc2cccc(OC)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.23,wD:26.27,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;8.05,-1.51,;9.38,-.74,;9.38,.8,;6.67,-.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cc(OC)cc(OC)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:25.25,(9.9,-2.7,;8.57,-1.93,;7.23,-2.7,;5.9,-1.93,;4.57,-2.7,;3.23,-1.93,;1.9,-2.7,;.57,-1.93,;.57,-.39,;-.77,.38,;-.77,1.92,;-2.1,-.39,;-3.44,.38,;-4.77,-.39,;-6.1,.38,;-7.44,-.39,;-8.77,.38,;-10.1,-.39,;-7.44,-1.93,;-6.1,-2.7,;-6.1,-4.24,;-7.44,-5.01,;-4.77,-1.93,;1.9,.38,;1.9,1.92,;3.23,2.69,;4.57,1.92,;5.9,2.69,;5.9,4.23,;7.23,5,;4.57,5,;3.23,4.23,;3.23,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(OC)cc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:25.25,(7.21,3.99,;5.88,4.76,;4.55,3.99,;3.21,4.76,;1.88,3.99,;1.88,2.45,;3.21,1.68,;3.21,.14,;1.88,-.63,;1.88,-2.17,;3.21,-2.94,;.55,-2.94,;.55,-4.48,;-.79,-5.25,;-.79,-6.79,;-2.12,-7.56,;-3.46,-6.79,;-4.79,-7.56,;-4.79,-9.1,;-3.46,-5.25,;-2.12,-4.48,;-2.12,-2.94,;-.79,-2.17,;.55,.14,;-.79,-.63,;-2.12,.14,;-2.12,1.68,;-3.46,2.45,;-4.79,1.68,;-6.12,2.45,;-4.79,.14,;-3.46,-.63,;.55,1.68,)|
CCCCNc1ncc(C(=O)NCc2cccc(c2)N2CCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-3.85,;-9.19,-3.08,;-7.85,-3.85,;-6.52,-3.08,;-5.19,-3.85,;-3.85,-3.08,;-2.52,-3.85,;-1.18,-3.08,;-1.18,-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,;6.82,-3.08,;6.82,-1.54,;5.48,-.77,;8.15,-.77,;9.62,-1.25,;10.52,,;9.62,1.25,;8.15,.77,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-6.52,1.54,;-6.52,3.08,;-7.85,3.85,;-5.19,3.85,;-3.85,3.08,;-3.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-12,-3.85,;-10.67,-3.08,;-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,;5.33,-1.54,;4,-.77,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-8,3.08,;-9.34,3.85,;-6.67,3.85,;-5.33,3.08,;-5.33,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cc3ccccc3o2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.25,wD:27.29,(-9.71,-3.41,;-8.38,-2.64,;-7.04,-3.41,;-5.71,-2.64,;-4.37,-3.41,;-3.04,-2.64,;-1.71,-3.41,;-.37,-2.64,;-.37,-1.1,;.96,-.33,;.96,1.21,;2.29,-1.1,;3.63,-.33,;4.96,-1.1,;5.12,-2.63,;6.63,-2.95,;7.4,-4.29,;8.94,-4.29,;9.71,-2.95,;8.94,-1.62,;7.4,-1.62,;6.37,-.48,;-1.71,-.33,;-1.71,1.21,;-3.04,1.98,;-4.37,1.21,;-5.71,1.98,;-5.71,3.52,;-7.04,4.29,;-4.37,4.29,;-3.04,3.52,;-3.04,-1.1,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-n2cccn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;5.48,.24,;6.82,-.53,;6.82,-2.07,;5.48,-2.84,;4.15,-2.07,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(NC(=O)CC)nc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.26,wD:29.30,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-.67,-.77,;-.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;10,-3.85,;11.34,-3.08,;4.67,-3.85,;3.33,-3.08,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2cccs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;5.48,.24,;6.82,-.53,;6.82,-2.07,;5.48,-2.84,;4.15,-2.07,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccco2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;5.48,.24,;6.82,-.53,;6.82,-2.07,;5.48,-2.84,;4.15,-2.07,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;4,1.54,;2.67,.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(C)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;7.34,.77,;8.67,1.54,;6,1.54,;4.67,.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(54.57,-35.57,;55.9,-34.8,;57.23,-35.58,;58.57,-34.81,;59.9,-35.58,;61.23,-34.81,;62.57,-35.58,;63.91,-34.81,;63.9,-33.26,;65.23,-32.48,;65.23,-30.94,;66.57,-33.25,;67.9,-32.47,;69.23,-33.24,;70.56,-32.47,;70.56,-30.93,;69.23,-30.16,;67.89,-30.94,;62.57,-32.49,;62.56,-30.95,;61.22,-30.19,;59.89,-30.97,;58.55,-30.19,;58.55,-28.65,;57.22,-27.88,;59.89,-27.88,;61.22,-28.65,;61.24,-33.26,)|
CCCCNc1ncc(C(=O)NCC2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCC(=O)N2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.23,wD:26.27,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;6.67,.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)Nc2cccc(OC)c2)c(NC2CC[C@H](O)CC2)n1 |r,wD:25.26,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.72,-.8,;8.05,-1.57,;9.38,-.8,;5.33,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)N2CCOCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:29.31,(-10,-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,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:30.32,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;4,1.54,;2.67,.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC2)c2ncccn2)c(NC2CC[C@H](O)CC2)n1 |r,wD:29.31,(-10,-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,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)c(NC2CC[C@H](O)CC2)n1 |r,wD:28.29,(-8.77,-3.85,;-7.44,-3.08,;-6.1,-3.85,;-4.77,-3.08,;-3.44,-3.85,;-2.1,-3.08,;-.77,-3.85,;.56,-3.08,;.56,-1.54,;1.9,-.77,;1.9,.77,;3.23,-1.54,;4.56,-.77,;5.9,-1.54,;7.23,-.77,;8.77,-.77,;8,-2.1,;7.23,.77,;8.57,1.54,;5.9,1.54,;5.13,2.87,;6.67,2.87,;4.56,.77,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;-4.77,1.54,;-4.77,3.08,;-6.1,3.85,;-3.44,3.85,;-2.1,3.08,;-2.1,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC2)C(C)C)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.27,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,;8,1.54,;9.34,.77,;8,3.08,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NC2CN(C)C2)c(NC2CC[C@H](O)CC2)n1 |r,wD:22.23,(-8.28,-3.85,;-6.94,-3.08,;-5.61,-3.85,;-4.28,-3.08,;-2.94,-3.85,;-1.61,-3.08,;-.28,-3.85,;1.06,-3.08,;1.06,-1.54,;2.39,-.77,;2.39,.77,;3.72,-1.54,;5.06,-.77,;6.55,-1.17,;6.94,.32,;8.28,1.09,;5.46,.72,;-.28,-.77,;-.28,.77,;-1.61,1.54,;-2.94,.77,;-4.28,1.54,;-4.28,3.08,;-5.61,3.85,;-2.94,3.85,;-1.61,3.08,;-1.61,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC2)C2CCN(C)CC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:30.32,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.67,.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCOCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:23.24,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,-1.54,;5.33,-.77,;6.67,-1.54,;8,-.77,;8,.77,;6.67,1.54,;5.33,.77,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:22.23,(-7.85,-3.85,;-6.52,-3.08,;-5.19,-3.85,;-3.85,-3.08,;-2.52,-3.85,;-1.18,-3.08,;.15,-3.85,;1.48,-3.08,;1.48,-1.54,;2.82,-.77,;2.82,.77,;4.15,-1.54,;5.48,-.77,;6.95,-1.25,;7.85,,;6.95,1.25,;5.48,.77,;.15,-.77,;.15,.77,;-1.18,1.54,;-2.52,.77,;-3.85,1.54,;-3.85,3.08,;-5.19,3.85,;-2.52,3.85,;-1.18,3.08,;-1.18,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCCCCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:24.25,(-8.36,-3.85,;-7.02,-3.08,;-5.69,-3.85,;-4.35,-3.08,;-3.02,-3.85,;-1.69,-3.08,;-.35,-3.85,;.98,-3.08,;.98,-1.54,;2.31,-.77,;2.31,.77,;3.65,-1.54,;4.98,-.77,;6.19,-1.73,;7.69,-1.39,;8.36,,;7.69,1.39,;6.19,1.73,;4.98,.77,;-.35,-.77,;-.35,.77,;-1.69,1.54,;-3.02,.77,;-4.35,1.54,;-4.35,3.08,;-5.69,3.85,;-3.02,3.85,;-1.69,3.08,;-1.69,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:31.33,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-.67,-.77,;-.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;3.33,-3.08,;4.67,-3.85,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;10,-3.85,;11.34,-3.08,;11.34,-1.54,;10,-.77,;8.67,-1.54,;6,-1.54,;4.67,-.77,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,)|
CCCCNc1ncc(C(=O)NC2CC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:20.21,(-7.44,-3.85,;-6.1,-3.08,;-4.77,-3.85,;-3.44,-3.08,;-2.1,-3.85,;-.77,-3.08,;.56,-3.85,;1.9,-3.08,;1.9,-1.54,;3.23,-.77,;3.23,.77,;4.56,-1.54,;5.9,-.77,;7.44,-.77,;6.67,.56,;.56,-.77,;.56,.77,;-.77,1.54,;-2.1,.77,;-3.44,1.54,;-3.44,3.08,;-4.77,3.85,;-2.1,3.85,;-.77,3.08,;-.77,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:21.22,(-7.61,-3.85,;-6.28,-3.08,;-4.94,-3.85,;-3.61,-3.08,;-2.28,-3.85,;-.94,-3.08,;.39,-3.85,;1.72,-3.08,;1.72,-1.54,;3.06,-.77,;3.06,.77,;4.39,-1.54,;5.73,-.77,;7.21,-1.17,;7.61,.32,;6.12,.72,;.39,-.77,;.39,.77,;-.94,1.54,;-2.28,.77,;-3.61,1.54,;-3.61,3.08,;-4.94,3.85,;-2.28,3.85,;-.94,3.08,;-.94,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCN(C)CC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:25.26,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;8,-1.54,;6.67,-.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC2)C2CCCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;4.15,-2.07,;5.48,-2.84,;6.82,-2.07,;6.82,-.53,;5.48,.24,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cccn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;4.15,-2.07,;5.48,-2.84,;6.82,-2.07,;6.82,-.53,;5.48,.24,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccco2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;6.15,-3.08,;7.61,-3.56,;8.52,-2.31,;7.61,-1.06,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cccs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;6.15,-3.08,;7.61,-3.56,;8.52,-2.31,;7.61,-1.06,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cccc3ccccc23)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.26,wD:28.30,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;6.67,.77,;6.67,-.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(CCCC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;10.67,.77,;4,1.54,;2.67,.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-.67,-.77,;-.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;10,.77,;8.67,1.54,;3.33,1.54,;2,.77,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccccc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(54.22,-47.24,;55.55,-46.47,;56.88,-47.24,;58.22,-46.47,;59.55,-47.24,;60.88,-46.47,;62.22,-47.25,;63.56,-46.47,;63.55,-44.92,;64.88,-44.15,;64.88,-42.61,;66.22,-44.91,;67.55,-44.14,;67.54,-42.61,;68.86,-41.83,;70.21,-42.59,;70.21,-44.14,;68.88,-44.91,;68.88,-46.45,;70.22,-47.22,;62.22,-44.16,;62.21,-42.62,;60.87,-41.85,;59.54,-42.63,;58.2,-41.86,;58.2,-40.32,;56.87,-39.55,;59.54,-39.55,;60.87,-40.32,;60.89,-44.93,)|
CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)|
CCCCNc1ncc(C(=O)NC2CCN(CCc3ccccc3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-.67,-.77,;-.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;8.67,1.54,;10,.77,;11.34,1.54,;11.34,3.08,;10,3.85,;8.67,3.08,;3.33,1.54,;2,.77,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CCCc3ccccc3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-12,-3.85,;-10.67,-3.08,;-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,-1.54,;12,-.77,;12,.77,;10.67,1.54,;2.67,1.54,;1.33,.77,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-8,3.08,;-9.34,3.85,;-6.67,3.85,;-5.33,3.08,;-5.33,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(Cc3cccnc3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;10.67,.77,;10.67,-.77,;9.34,-1.54,;8,-.77,;4,1.54,;2.67,.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)C(F)(F)F)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(1.92,-47.36,;3.25,-46.59,;4.59,-47.36,;5.92,-46.59,;7.26,-47.36,;8.59,-46.59,;9.92,-47.36,;11.26,-46.59,;11.26,-45.04,;12.59,-44.27,;12.58,-42.73,;13.92,-45.03,;15.25,-44.26,;16.59,-45.03,;17.92,-44.26,;17.91,-42.71,;16.57,-41.95,;15.24,-42.73,;19.24,-41.94,;20.58,-42.7,;19.23,-40.4,;20.57,-41.15,;9.92,-44.28,;9.92,-42.74,;8.58,-41.97,;7.25,-42.75,;5.91,-41.98,;5.91,-40.44,;4.57,-39.67,;7.24,-39.67,;8.57,-40.43,;8.59,-45.05,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.69,;-9.34,-1.93,;-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;,1.93,;1.33,-.38,;2.67,.38,;4,-.38,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;6.67,-.38,;5.33,.38,;8,-2.69,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.69,;9.34,-1.93,;-2.67,.38,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.38,)|
CCCCNc1ncc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-.67,-.77,;-.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;8.67,1.54,;10,.77,;11.34,1.54,;11.34,3.08,;10,3.85,;8.67,3.08,;3.33,1.54,;2,.77,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-12,-3.85,;-10.67,-3.08,;-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;10.67,1.54,;10.67,3.08,;12,3.85,;9.34,3.85,;8,3.08,;2.67,1.54,;1.33,.77,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-8,3.08,;-9.34,3.85,;-6.67,3.85,;-5.33,3.08,;-5.33,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC3CC3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.25,wD:27.29,(-10.11,-3.85,;-8.77,-3.08,;-7.44,-3.85,;-6.1,-3.08,;-4.77,-3.85,;-3.44,-3.08,;-2.1,-3.85,;-.77,-3.08,;-.77,-1.54,;.56,-.77,;.56,.77,;1.9,-1.54,;3.23,-.77,;4.56,-1.54,;5.9,-.77,;5.9,.77,;7.23,1.54,;8.57,.77,;9.34,-.56,;10.11,.77,;4.56,1.54,;3.23,.77,;-2.1,-.77,;-2.1,.77,;-3.44,1.54,;-4.77,.77,;-6.1,1.54,;-6.1,3.08,;-7.44,3.85,;-4.77,3.85,;-3.44,3.08,;-3.44,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC3CCCCC3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;4,1.54,;2.67,.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC3CCCC3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-3.85,;-9.19,-3.08,;-7.85,-3.85,;-6.52,-3.08,;-5.19,-3.85,;-3.85,-3.08,;-2.52,-3.85,;-1.18,-3.08,;-1.18,-1.54,;.15,-.77,;.15,.77,;1.48,-1.54,;2.82,-.77,;4.15,-1.54,;5.48,-.77,;5.48,.77,;6.82,1.54,;8.15,.77,;8.15,-.77,;9.62,-1.25,;10.52,,;9.62,1.25,;4.15,1.54,;2.82,.77,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-6.52,1.54,;-6.52,3.08,;-7.85,3.85,;-5.19,3.85,;-3.85,3.08,;-3.85,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC2)C2CCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.26,wD:28.30,(-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;-.52,-1.54,;.82,-.77,;.82,.77,;2.15,-1.54,;3.48,-.77,;4.82,-1.54,;6.15,-.77,;6.15,.77,;4.82,1.54,;3.48,.77,;7.48,1.54,;8.95,1.06,;9.85,2.31,;8.95,3.56,;7.48,3.08,;-1.85,-.77,;-1.85,.77,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-5.85,3.08,;-7.19,3.85,;-4.52,3.85,;-3.19,3.08,;-3.19,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;4.15,-2.07,;5.48,-2.84,;6.82,-2.07,;6.82,-.53,;5.48,.24,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(48.43,-9.69,;49.77,-8.92,;51.1,-9.69,;52.43,-8.92,;53.77,-9.69,;55.1,-8.93,;56.43,-9.7,;57.77,-8.92,;57.77,-7.37,;59.1,-6.6,;59.09,-5.06,;60.43,-7.36,;61.76,-6.59,;63.1,-7.35,;63.1,-8.89,;64.44,-9.66,;65.77,-8.88,;65.76,-7.33,;64.42,-6.58,;67.11,-9.64,;68.5,-9.01,;69.54,-10.15,;68.78,-11.49,;67.27,-11.18,;56.43,-6.61,;56.43,-5.07,;55.09,-4.3,;53.76,-5.08,;52.42,-4.31,;52.42,-2.77,;51.09,-2,;53.75,-2,;55.08,-2.77,;55.1,-7.38,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)N2CCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;4.15,-2.07,;5.48,-2.84,;6.82,-2.07,;6.82,-.53,;5.48,.24,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NC2CCN(Cc3ccc(cc3)N3CCOCC3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:33.35,wD:36.39,(-12.67,-3.85,;-11.34,-3.08,;-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-2,-.77,;-2,.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;7.34,1.54,;10,-1.54,;10,-3.08,;11.34,-3.85,;12.67,-3.08,;12.67,-1.54,;11.34,-.77,;2,1.54,;.67,.77,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-7.34,3.85,;-6,3.08,;-6,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cnc(C)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-11.29,-2.84,;-9.96,-2.07,;-8.62,-2.84,;-7.29,-2.07,;-5.96,-2.84,;-4.62,-2.07,;-3.29,-2.84,;-1.95,-2.07,;-1.95,-.53,;-.62,.24,;-.62,1.78,;.71,-.53,;2.05,.24,;3.38,-.53,;3.38,-2.07,;4.71,-2.84,;6.05,-2.07,;6.05,-.53,;4.71,.24,;7.38,-2.84,;7.38,-4.38,;8.85,-4.86,;9.75,-3.61,;11.29,-3.61,;8.85,-2.37,;-3.29,.24,;-3.29,1.78,;-4.62,2.55,;-5.96,1.78,;-7.29,2.55,;-7.29,4.09,;-8.62,4.86,;-5.96,4.86,;-4.62,4.09,;-4.62,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cnc(c2)-c2ccccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:32.34,wD:35.38,(-12.83,-2.8,;-11.5,-2.03,;-10.16,-2.8,;-8.83,-2.03,;-7.5,-2.8,;-6.16,-2.03,;-4.83,-2.8,;-3.5,-2.03,;-3.5,-.49,;-2.16,.28,;-2.16,1.82,;-.83,-.49,;.51,.28,;1.84,-.49,;1.84,-2.03,;3.17,-2.8,;4.51,-2.03,;4.51,-.49,;3.17,.28,;5.84,-2.8,;5.84,-4.34,;7.31,-4.81,;8.21,-3.57,;7.31,-2.32,;9.75,-3.57,;10.52,-4.9,;12.06,-4.9,;12.83,-3.57,;12.06,-2.23,;10.52,-2.23,;-4.83,.28,;-4.83,1.82,;-6.16,2.59,;-7.5,1.82,;-8.83,2.59,;-8.83,4.13,;-10.16,4.9,;-7.5,4.9,;-6.16,4.13,;-6.16,-.49,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2-c2ccccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:32.34,wD:35.38,(-10.52,-1.25,;-9.19,-.48,;-7.85,-1.25,;-6.52,-.48,;-5.19,-1.25,;-3.85,-.48,;-2.52,-1.25,;-1.18,-.48,;-1.18,1.06,;.15,1.83,;.15,3.37,;1.48,1.06,;2.82,1.83,;4.15,1.06,;4.15,-.48,;5.48,-1.25,;6.82,-.48,;6.82,1.06,;5.48,1.83,;8.15,-1.25,;9.62,-.77,;10.52,-2.02,;9.62,-3.26,;8.15,-2.79,;7.06,-3.88,;5.57,-3.48,;4.49,-4.57,;4.88,-6.05,;6.37,-6.45,;7.46,-5.36,;-2.52,1.83,;-2.52,3.37,;-3.85,4.14,;-5.19,3.37,;-6.52,4.14,;-6.52,5.68,;-7.85,6.45,;-5.19,6.45,;-3.85,5.68,;-3.85,1.06,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2C)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.52,-2.69,;-9.19,-1.93,;-7.85,-2.69,;-6.52,-1.93,;-5.19,-2.69,;-3.85,-1.93,;-2.52,-2.69,;-1.18,-1.93,;-1.18,-.38,;.15,.38,;.15,1.93,;1.48,-.38,;2.82,.38,;4.15,-.38,;4.15,-1.93,;5.48,-2.69,;6.82,-1.93,;6.82,-.38,;5.48,.38,;8.15,-2.69,;9.62,-2.22,;10.52,-3.47,;9.62,-4.71,;8.15,-4.23,;6.82,-5,;-2.52,.38,;-2.52,1.93,;-3.85,2.69,;-5.19,1.93,;-6.52,2.69,;-6.52,4.23,;-7.85,5,;-5.19,5,;-3.85,4.23,;-3.85,-.38,)|
CCCCNc1ncc(C(=O)Nc2ccc(C)cc2C)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.26,wD:22.22,(8.49,-3.85,;7.16,-3.08,;5.82,-3.85,;4.49,-3.08,;3.16,-3.85,;1.82,-3.08,;.49,-3.85,;-.84,-3.08,;-.84,-1.54,;-2.18,-.77,;-2.18,.77,;-3.51,-1.54,;-4.85,-.77,;-4.85,.77,;-6.18,1.54,;-7.51,.77,;-8.85,1.54,;-7.51,-.77,;-6.18,-1.54,;-6.18,-3.08,;.49,-.77,;.49,.77,;1.82,1.54,;3.16,.77,;4.49,1.54,;4.49,3.08,;5.82,3.85,;3.16,3.85,;1.82,3.08,;1.82,-1.54,)|
CCCCNc1ncc(C(=O)Nc2cc(OC)ccc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:24.24,(9.42,-4.57,;8.09,-3.8,;6.75,-4.57,;5.42,-3.8,;4.08,-4.57,;2.75,-3.8,;1.42,-4.57,;.08,-3.8,;.08,-2.26,;-1.25,-1.49,;-2.58,-2.26,;-1.25,.05,;-2.58,.82,;-2.58,2.36,;-3.92,3.13,;-3.92,4.67,;-5.25,5.44,;-5.25,2.36,;-5.25,.82,;-3.92,.05,;-3.92,-1.49,;-5.25,-2.26,;1.42,-1.49,;1.42,.05,;2.75,.82,;4.08,.05,;5.42,.82,;5.42,2.36,;6.75,3.13,;4.08,3.13,;2.75,2.36,;2.75,-2.26,)|
CCCCNc1ncc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-12.52,-3.85,;-11.19,-3.08,;-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-3.19,-1.54,;-1.85,-.77,;-1.85,.77,;-.52,-1.54,;.82,-.77,;2.15,-1.54,;2.15,-3.08,;3.48,-3.85,;4.82,-3.08,;6.15,-3.85,;7.48,-3.08,;7.48,-1.54,;8.95,-1.06,;9.85,-2.31,;8.95,-3.56,;4.82,-1.54,;3.48,-.77,;-4.52,-.77,;-4.52,.77,;-5.85,1.54,;-7.19,.77,;-8.52,1.54,;-8.52,3.08,;-9.85,3.85,;-7.19,3.85,;-5.85,3.08,;-5.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cnc(c2)C(F)(F)F)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:30.31,wD:33.35,(-12.45,-1.51,;-11.12,-.74,;-9.79,-1.51,;-8.45,-.74,;-7.12,-1.51,;-5.79,-.74,;-4.45,-1.51,;-3.12,-.74,;-3.12,.8,;-1.78,1.57,;-1.78,3.11,;-.45,.8,;.88,1.57,;2.22,.8,;2.22,-.74,;3.55,-1.51,;4.88,-.74,;4.88,.8,;3.55,1.57,;6.22,-1.51,;7.68,-1.03,;8.59,-2.28,;7.7,-3.56,;6.22,-3.05,;8.17,-5.03,;8.65,-6.49,;6.71,-5.5,;9.64,-4.55,;-4.45,1.57,;-4.45,3.11,;-5.79,3.88,;-7.12,3.11,;-8.45,3.88,;-8.45,5.42,;-9.79,6.19,;-7.12,6.19,;-5.79,5.42,;-5.79,.8,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cnc(CO)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(-13.01,-2.8,;-11.68,-2.03,;-10.34,-2.8,;-9.01,-2.03,;-7.67,-2.8,;-6.34,-2.03,;-5.01,-2.8,;-3.67,-2.03,;-3.67,-.49,;-2.34,.28,;-2.34,1.82,;-1.01,-.49,;.33,.28,;1.66,-.49,;1.66,-2.03,;2.99,-2.8,;4.33,-2.03,;4.33,-.49,;2.99,.28,;5.66,-2.8,;5.66,-4.34,;7.13,-4.81,;8.03,-3.57,;9.57,-3.57,;10.34,-4.9,;7.13,-2.32,;-5.01,.28,;-5.01,1.82,;-6.34,2.59,;-7.67,1.82,;-9.01,2.59,;-9.01,4.13,;-10.34,4.9,;-7.67,4.9,;-6.34,4.13,;-6.34,-.49,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;8,-2.7,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.7,;9.34,-1.93,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccc3ccccc3c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:31.33,wD:34.37,(-12,-2.69,;-10.67,-1.93,;-9.34,-2.69,;-8,-1.93,;-6.67,-2.69,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-2.67,-.38,;-1.33,.38,;-1.33,1.93,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.38,;5.33,-1.93,;4,-2.69,;2.67,-1.93,;6.67,-2.69,;6.67,-4.23,;8,-5,;9.34,-4.23,;10.67,-5,;12,-4.23,;12,-2.69,;10.67,-1.93,;9.34,-2.69,;8,-1.93,;-4,.38,;-4,1.93,;-5.33,2.69,;-6.67,1.93,;-8,2.69,;-8,4.23,;-9.34,5,;-6.67,5,;-5.33,4.23,;-5.33,-.38,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2cccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;8,-2.7,;9.34,-1.93,;10.67,-2.7,;10.67,-4.23,;9.34,-5,;8,-4.23,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-12,-2.7,;-10.67,-1.93,;-9.34,-2.7,;-8,-1.93,;-6.67,-2.7,;-5.33,-1.93,;-4,-2.7,;-2.67,-1.93,;-2.67,-.39,;-1.33,.38,;-1.33,1.92,;,-.39,;1.33,.38,;2.67,-.39,;4,.38,;5.33,-.39,;5.33,-1.93,;4,-2.7,;2.67,-1.93,;6.67,-2.7,;6.67,-4.23,;8,-5,;9.38,-4.26,;10.72,-5.03,;10.72,-6.57,;9.34,-2.7,;8,-1.93,;-4,.38,;-4,1.92,;-5.33,2.69,;-6.67,1.92,;-8,2.69,;-8,4.23,;-9.34,5,;-6.67,5,;-5.33,4.23,;-5.33,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccc(cc2)C#N)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-12,-2.31,;-10.67,-1.54,;-9.34,-2.31,;-8,-1.54,;-6.67,-2.31,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;-1.33,2.31,;;1.33,.77,;2.67,,;4,.77,;5.33,,;5.33,-1.54,;4,-2.31,;2.67,-1.54,;6.67,-2.31,;6.67,-3.85,;8,-4.62,;9.38,-3.88,;9.34,-2.31,;8,-1.54,;10.72,-4.65,;12.05,-5.42,;-4,.77,;-4,2.31,;-5.33,3.08,;-6.67,2.31,;-8,3.08,;-8,4.62,;-9.34,5.39,;-6.67,5.39,;-5.33,4.62,;-5.33,,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2cccc(OC)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-11.34,-2.7,;-10,-1.93,;-8.67,-2.7,;-7.34,-1.93,;-6,-2.7,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-2,-.39,;-.67,.38,;-.67,1.92,;.67,-.39,;2,.38,;3.33,-.39,;4.67,.38,;6,-.39,;6,-1.93,;4.67,-2.7,;3.33,-1.93,;7.34,-2.7,;7.34,-4.23,;8.67,-5,;10,-4.23,;10.05,-2.67,;11.38,-1.9,;12.72,-2.67,;8.67,-1.93,;-3.33,.38,;-3.33,1.92,;-4.67,2.69,;-6,1.92,;-7.34,2.69,;-7.34,4.23,;-8.67,5,;-6,5,;-4.67,4.23,;-4.67,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2cncnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;8,-2.7,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.7,;9.34,-1.93,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccccc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;8,-2.7,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.7,;9.34,-1.87,;9.34,-.33,;8,.44,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)C2=CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,t:20,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;8,-2.7,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.7,;9.34,-1.93,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2c(C)noc2C)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(-10.52,-2.7,;-9.19,-1.93,;-7.85,-2.7,;-6.52,-1.93,;-5.19,-2.7,;-3.85,-1.93,;-2.52,-2.7,;-1.18,-1.93,;-1.18,-.39,;.15,.38,;.15,1.92,;1.48,-.39,;2.82,.38,;4.15,-.39,;5.48,.38,;6.82,-.39,;6.82,-1.93,;5.48,-2.7,;4.15,-1.93,;8.15,-2.7,;9.62,-2.22,;10.01,-.73,;10.52,-3.47,;9.62,-4.71,;8.15,-4.23,;6.82,-5,;-2.52,.38,;-2.52,1.92,;-3.85,2.69,;-5.19,1.92,;-6.52,2.69,;-6.52,4.23,;-7.85,5,;-5.19,5,;-3.85,4.23,;-3.85,-.39,)|
CCCCNc1ncc(C(=O)NCc2nccs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;6.15,-3.08,;7.61,-3.56,;8.52,-2.31,;7.61,-1.06,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc3ccccc3n2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.26,wD:28.30,(-10,-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,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;8.67,-3.85,;10,-3.08,;10,-1.54,;8.67,-.77,;7.34,-1.54,;6,-.77,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cc[nH]n2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;7.61,-1.06,;8.52,-2.31,;7.61,-3.56,;6.15,-3.08,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCNCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC2)C(C)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(-10,-3.08,;-8.67,-2.31,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-3.33,-2.31,;-2,-3.08,;-.67,-2.31,;-.67,-.77,;.67,,;.67,1.54,;2,-.77,;3.33,,;4.67,-.77,;4.67,-2.31,;6,-3.08,;7.34,-2.31,;7.34,-.77,;6,,;8.67,-3.08,;10,-2.31,;8.67,-4.62,;-2,,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-6,2.31,;-6,3.85,;-7.34,4.62,;-4.67,4.62,;-3.33,3.85,;-3.33,-.77,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC2)C(C)C)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(-10,-3.08,;-8.67,-2.31,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-3.33,-2.31,;-2,-3.08,;-.67,-2.31,;-.67,-.77,;.67,,;.67,1.54,;2,-.77,;3.33,,;4.67,-.77,;4.67,-2.31,;6,-3.08,;7.34,-2.31,;7.34,-.77,;6,,;8.67,-3.08,;8.67,-4.62,;10,-2.31,;-2,,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-6,2.31,;-6,3.85,;-7.34,4.62,;-4.67,4.62,;-3.33,3.85,;-3.33,-.77,)|
CCCCNc1ncc(C(=O)NCc2ccon2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;7.61,-1.06,;8.52,-2.31,;7.61,-3.56,;6.15,-3.08,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC2)C2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;4,-1.93,;5.33,-2.7,;6.67,-1.93,;6.67,-.39,;5.33,.38,;8,-2.69,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.69,;9.34,-1.93,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC=C)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;10.67,-3.85,;6.67,-1.54,;5.33,-.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC2)c2ccccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;4,-1.93,;5.33,-2.7,;6.67,-1.93,;6.67,-.39,;5.33,.38,;8,-2.69,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.69,;9.34,-1.93,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCc2cncnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cncs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;6.15,-3.08,;7.61,-3.56,;8.52,-2.31,;7.61,-1.06,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Cl)ccn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cnccn1 |r,wD:14.14,(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-1.33,3.85,;,3.08,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc2ccccc2n1 |r,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;7.34,3.08,;6,3.85,;4.67,3.08,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(-c2ncc(COCc3ccccc3)s2)c(NC2CC[C@H](O)CC2)n1 |r,wD:28.30,(-9.98,-4.59,;-8.65,-3.82,;-7.32,-4.59,;-5.98,-3.82,;-4.65,-4.59,;-3.32,-3.82,;-1.98,-4.59,;-.65,-3.82,;-.65,-2.28,;.68,-1.51,;.68,.03,;2.15,.5,;3.05,-.74,;4.59,-.74,;5.36,.59,;6.9,.59,;7.67,1.93,;9.21,1.93,;9.98,3.26,;9.21,4.59,;7.67,4.59,;6.9,3.26,;2.15,-1.99,;-1.98,-1.51,;-1.98,.03,;-3.32,.8,;-4.65,.03,;-5.98,.8,;-5.98,2.34,;-7.32,3.11,;-4.65,3.11,;-3.32,2.34,;-3.32,-2.28,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCOCC2)cn1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCCC2)cn1 |r,wD:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCC(F)(F)CC2)cn1 |r,wD:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;10,,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NCC2CC[C@H](N)CC2)n1)-c1ccc(F)cn1 |r,wD:15.15,(-7.34,-5.78,;-6,-5,;-4.67,-5.78,;-3.33,-5,;-2,-5.78,;-.67,-5,;.67,-5.78,;2,-5,;2,-3.47,;.67,-2.69,;.67,-1.15,;-.67,-.38,;-.67,1.15,;-2,1.93,;-2,3.47,;-.67,4.23,;-.67,5.78,;.67,3.47,;.67,1.93,;-.67,-3.47,;3.33,-2.69,;4.67,-3.46,;6,-2.69,;6,-1.15,;7.34,-.38,;4.67,-.38,;3.33,-1.15,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCCN(C)CC2)cn1 |r,wD:14.14,(-10.43,-3.85,;-9.1,-3.08,;-7.77,-3.85,;-6.43,-3.08,;-5.1,-3.85,;-3.76,-3.08,;-2.43,-3.85,;-1.1,-3.08,;-1.1,-1.54,;-2.43,-.77,;-2.43,.77,;-3.76,1.54,;-5.1,.77,;-6.43,1.54,;-6.43,3.08,;-7.77,3.85,;-5.1,3.85,;-3.76,3.08,;-3.76,-1.54,;.24,-.77,;1.57,-1.54,;2.9,-.77,;2.9,.77,;4.24,1.54,;5.57,.77,;5.57,-.77,;6.78,-1.73,;8.28,-1.39,;8.95,,;10.43,.4,;8.28,1.39,;6.78,1.73,;1.57,1.54,;.24,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCCC2)cn1 |r,wD:14.14,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCC2)cn1 |r,wD:14.14,(-9.61,-3.85,;-8.28,-3.08,;-6.94,-3.85,;-5.61,-3.08,;-4.28,-3.85,;-2.94,-3.08,;-1.61,-3.85,;-.28,-3.08,;-.28,-1.54,;-1.61,-.77,;-1.61,.77,;-2.94,1.54,;-4.28,.77,;-5.61,1.54,;-5.61,3.08,;-6.94,3.85,;-4.28,3.85,;-2.94,3.08,;-2.94,-1.54,;1.06,-.77,;2.39,-1.54,;3.72,-.77,;3.72,.77,;5.06,1.54,;6.39,.77,;7.73,1.54,;9.21,1.14,;9.61,2.63,;8.12,3.03,;2.39,1.54,;1.06,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC2)cn1 |r,wD:14.14,(-9.44,-3.85,;-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,;-4.1,-3.85,;-2.77,-3.08,;-1.44,-3.85,;-.1,-3.08,;-.1,-1.54,;-1.44,-.77,;-1.44,.77,;-2.77,1.54,;-4.1,.77,;-5.44,1.54,;-5.44,3.08,;-6.77,3.85,;-4.1,3.85,;-2.77,3.08,;-2.77,-1.54,;1.23,-.77,;2.56,-1.54,;3.9,-.77,;3.9,.77,;5.23,1.54,;6.57,.77,;7.9,1.54,;9.44,1.54,;8.67,2.87,;2.56,1.54,;1.23,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCC2)cn1 |r,wD:14.14,(-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;-.52,-1.54,;-1.85,-.77,;-1.85,.77,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-5.85,3.08,;-7.19,3.85,;-4.52,3.85,;-3.19,3.08,;-3.19,-1.54,;.82,-.77,;2.15,-1.54,;3.48,-.77,;3.48,.77,;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,;2.15,1.54,;.82,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCC2CC2)cn1 |r,wD:14.14,(-10.08,-3.85,;-8.75,-3.08,;-7.41,-3.85,;-6.08,-3.08,;-4.74,-3.85,;-3.41,-3.08,;-2.08,-3.85,;-.74,-3.08,;-.74,-1.54,;-2.08,-.77,;-2.08,.77,;-3.41,1.54,;-4.74,.77,;-6.08,1.54,;-6.08,3.08,;-7.41,3.85,;-4.74,3.85,;-3.41,3.08,;-3.41,-1.54,;.59,-.77,;1.92,-1.54,;3.26,-.77,;3.26,.77,;4.59,1.54,;5.92,.77,;7.26,1.54,;8.59,.77,;9.68,-.32,;10.08,1.17,;1.92,1.54,;.59,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN(C)C)cn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;8.67,1.54,;7.34,-.77,;3.33,1.54,;2,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCC)cn1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCCO)cn1 |r,wD:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCc2ccncc2)cn1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCc2ccccc2)cn1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cccc(CNC2CC2)n1 |r,wD:14.14,(-7.05,-5.29,;-5.72,-4.52,;-4.39,-5.29,;-3.05,-4.52,;-1.72,-5.29,;-.38,-4.52,;.95,-5.29,;2.28,-4.52,;2.28,-2.98,;.95,-2.21,;.95,-.67,;-.38,.1,;-1.72,-.67,;-3.05,.1,;-3.05,1.64,;-4.39,2.41,;-1.72,2.41,;-.38,1.64,;-.38,-2.98,;3.62,-2.21,;4.95,-2.98,;6.28,-2.21,;6.28,-.67,;4.95,.1,;4.95,1.64,;6.28,2.41,;6.28,3.95,;7.05,5.29,;5.51,5.29,;3.62,-.67,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cccc(CN2CCN(C)CC2)n1 |r,wD:14.14,(-8.67,-5,;-7.34,-4.23,;-6,-5,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-.67,-5,;.67,-4.23,;.67,-2.69,;-.67,-1.93,;-.67,-.38,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,2.69,;-3.33,2.69,;-2,1.93,;-2,-2.69,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;7.34,4.23,;8.67,5,;6,5,;4.67,4.23,;2,-.38,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cccc(CN2CCCCC2)n1 |r,wU:11.10,wD:14.14,(-8.67,-5,;-7.34,-4.23,;-6,-5,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-.67,-5,;.67,-4.23,;.67,-2.69,;-.67,-1.93,;-.67,-.38,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,2.69,;-3.33,2.69,;-2,1.93,;-2,-2.69,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;7.34,4.23,;6,5,;4.67,4.23,;2,-.38,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |r,wD:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cccc(CN2CCOCC2)n1 |r,wD:14.14,(-8,-5,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.67,-5,;-1.33,-4.23,;,-5,;1.33,-4.23,;1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,2.69,;-2.67,2.69,;-1.33,1.93,;-1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;5.33,-.38,;4,.38,;4,1.93,;5.33,2.69,;6.67,1.93,;8,2.69,;8,4.23,;6.67,5,;5.33,4.23,;2.67,-.38,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)N1CCN(C)CC1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;9.34,3.85,;6.67,3.85,;5.33,3.08,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)NC1CCN(C)CC1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;4,1.54,;4,3.08,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)N1CCN(C)CC1 |r,wU:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;2,1.54,;.67,.77,;4.67,1.54,;4.67,3.08,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)N(C)C1CCN(C)CC1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;4,1.54,;4,3.08,;5.33,.77,;5.33,-.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(Cl)cn1 |r,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CCN2CCN(C)CC2)cn1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C#CCN1CCN(C)CC1 |r,wD:14.14,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,;-.67,-.77,;.67,-1.54,;2,-.77,;2,.77,;.67,1.54,;-.67,.77,;3.33,1.54,;4.67,2.31,;6,3.08,;7.34,2.31,;7.34,.77,;8.67,,;10,.77,;11.34,,;10,2.31,;8.67,3.08,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CCCN2CCN(C)CC2)cn1 |r,wD:14.14,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,;-.67,-.77,;.67,-1.54,;2,-.77,;2,.77,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;10,.77,;8.67,1.54,;.67,1.54,;-.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(NC(=O)C2CCN(C)CC2)cn1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;5.33,-.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(NC(C)=O)cn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;8.67,1.54,;7.34,-.77,;3.33,1.54,;2,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(NC(=O)C2CC2)cn1 |r,wD:14.14,(-9.44,-3.85,;-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,;-4.1,-3.85,;-2.77,-3.08,;-1.44,-3.85,;-.1,-3.08,;-.1,-1.54,;-1.44,-.77,;-1.44,.77,;-2.77,1.54,;-4.1,.77,;-5.44,1.54,;-5.44,3.08,;-6.77,3.85,;-4.1,3.85,;-2.77,3.08,;-2.77,-1.54,;1.23,-.77,;2.56,-1.54,;3.9,-.77,;3.9,.77,;5.23,1.54,;6.57,.77,;6.57,-.77,;7.9,1.54,;9.44,1.54,;8.67,2.87,;2.56,1.54,;1.23,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(NC(=O)C2CCC2)cn1 |r,wD:14.14,(-9.61,-3.85,;-8.28,-3.08,;-6.94,-3.85,;-5.61,-3.08,;-4.28,-3.85,;-2.94,-3.08,;-1.61,-3.85,;-.28,-3.08,;-.28,-1.54,;-1.61,-.77,;-1.61,.77,;-2.94,1.54,;-4.28,.77,;-5.61,1.54,;-5.61,3.08,;-6.94,3.85,;-4.28,3.85,;-2.94,3.08,;-2.94,-1.54,;1.06,-.77,;2.39,-1.54,;3.72,-.77,;3.72,.77,;5.06,1.54,;6.39,.77,;6.39,-.77,;7.73,1.54,;9.21,1.14,;9.61,2.63,;8.12,3.03,;2.39,1.54,;1.06,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(NC(=O)C2CCCC2)cn1 |r,wD:14.14,(-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;-.52,-1.54,;-1.85,-.77,;-1.85,.77,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-5.85,3.08,;-7.19,3.85,;-4.52,3.85,;-3.19,3.08,;-3.19,-1.54,;.82,-.77,;2.15,-1.54,;3.48,-.77,;3.48,.77,;4.82,1.54,;6.15,.77,;6.15,-.77,;7.48,1.54,;8.95,1.06,;9.85,2.31,;8.95,3.56,;7.48,3.08,;2.15,1.54,;.82,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(NC(=O)c2ccccc2)cn1 |r,wD:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(NC(=O)C2CCCCC2)cn1 |r,wD:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;2,1.54,;.67,.77,)|
CCCCNc1ncc(-c2ccc(CN3CCOCC3)o2)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.28,(-8.76,-3.88,;-7.43,-3.11,;-6.09,-3.88,;-4.76,-3.11,;-3.43,-3.88,;-2.09,-3.11,;-.76,-3.88,;.57,-3.11,;.57,-1.57,;1.91,-.8,;3.37,-1.28,;4.28,-.03,;3.37,1.21,;4.14,2.55,;5.68,2.55,;6.45,1.21,;7.99,1.21,;8.76,2.55,;7.99,3.88,;6.45,3.88,;1.91,.74,;-.76,-.8,;-.76,.74,;-2.09,1.51,;-3.43,.74,;-4.76,1.51,;-4.76,3.05,;-6.09,3.82,;-3.43,3.82,;-2.09,3.05,;-2.09,-1.57,)|
CCCCNc1ncc(-c2ccc(CN3CCC(F)(F)CC3)o2)c(NC2CC[C@H](O)CC2)n1 |r,wD:28.30,(-9.43,-3.88,;-8.1,-3.11,;-6.76,-3.88,;-5.43,-3.11,;-4.09,-3.88,;-2.76,-3.11,;-1.43,-3.88,;-.09,-3.11,;-.09,-1.57,;1.24,-.8,;2.71,-1.28,;3.61,-.03,;2.71,1.21,;3.48,2.55,;5.02,2.55,;5.79,1.21,;7.33,1.21,;8.1,2.55,;9.43,3.32,;9.43,1.78,;7.33,3.88,;5.79,3.88,;1.24,.74,;-1.43,-.8,;-1.43,.74,;-2.76,1.51,;-4.09,.74,;-5.43,1.51,;-5.43,3.05,;-6.76,3.82,;-4.09,3.82,;-2.76,3.05,;-2.76,-1.57,)|
CCCCNc1ncc(-c2ccc(CN3CC(F)(F)C3)o2)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.28,(-8.98,-3.85,;-7.64,-3.08,;-6.31,-3.85,;-4.98,-3.08,;-3.64,-3.85,;-2.31,-3.08,;-.98,-3.85,;.36,-3.08,;.36,-1.54,;1.69,-.77,;3.16,-1.25,;4.06,,;3.16,1.25,;3.93,2.58,;5.47,2.58,;6.56,1.49,;7.64,2.58,;8.98,3.35,;8.98,1.81,;6.56,3.67,;1.69,.77,;-.98,-.77,;-.98,.77,;-2.31,1.54,;-3.64,.77,;-4.98,1.54,;-4.98,3.08,;-6.31,3.85,;-3.64,3.85,;-2.31,3.08,;-2.31,-1.54,)|
CCCCNc1ncc(-c2ccc(C=O)o2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:18.18,wD:21.22,(-7.01,-3.85,;-5.68,-3.08,;-4.34,-3.85,;-3.01,-3.08,;-1.68,-3.85,;-.34,-3.08,;.99,-3.85,;2.33,-3.08,;2.33,-1.54,;3.66,-.77,;5.12,-1.25,;6.03,,;5.12,1.25,;5.52,2.73,;7.01,3.13,;3.66,.77,;.99,-.77,;.99,.77,;-.34,1.54,;-1.68,.77,;-3.01,1.54,;-3.01,3.08,;-4.34,3.85,;-1.68,3.85,;-.34,3.08,;-.34,-1.54,)|
CCCCNc1ncc(-c2ccc(o2)C(=O)NC2CCN(C)CC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:29.31,(-8.76,-5.88,;-7.43,-5.11,;-6.09,-5.88,;-4.76,-5.11,;-3.43,-5.88,;-2.09,-5.11,;-.76,-5.88,;.57,-5.11,;.57,-3.57,;1.91,-2.8,;3.37,-3.28,;4.28,-2.03,;3.37,-.79,;1.91,-1.26,;4.14,.55,;3.37,1.88,;5.68,.55,;6.45,1.88,;7.99,1.88,;8.76,3.21,;7.99,4.55,;8.76,5.88,;6.45,4.55,;5.68,3.21,;-.76,-2.8,;-.76,-1.26,;-2.09,-.49,;-3.43,-1.26,;-4.76,-.49,;-4.76,1.05,;-6.09,1.82,;-3.43,1.82,;-2.09,1.05,;-2.09,-3.57,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cn1 |r,wU:11.10,wD:14.14,TLB:33:32:35:29.28.27,33:28:35:32.34.31,25:26:29:32.33.31,THB:34:32:29:35.26.27,34:26:29:32.33.31,(-10,-3.85,;-8.67,-3.08,;-7.33,-3.85,;-6,-3.08,;-4.66,-3.85,;-3.33,-3.08,;-2,-3.85,;-.66,-3.08,;-.66,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.66,.77,;-6,1.54,;-6,3.08,;-7.33,3.85,;-4.66,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.34,-.77,;3.34,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;7.92,-.39,;7.9,-2.8,;6.5,-3.44,;7.34,-1.54,;8.67,-2.31,;10,-1.54,;9.1,-3.46,;10,0,;7.34,0,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CC[C@H](C2)N(C)C)cn1 |r,wD:27.31,(-10.34,-3.85,;-9.01,-3.08,;-7.67,-3.85,;-6.34,-3.08,;-5.01,-3.85,;-3.67,-3.08,;-2.34,-3.85,;-1.01,-3.08,;-1.01,-1.54,;-2.34,-.77,;-2.34,.77,;-3.67,1.54,;-3.67,3.08,;-5.01,3.85,;-6.34,3.08,;-7.67,3.85,;-6.34,1.54,;-5.01,.77,;-3.67,-1.54,;.33,-.77,;1.66,-1.54,;2.99,-.77,;2.99,.77,;4.33,1.54,;5.66,.77,;5.66,-.77,;7.13,-1.25,;8.03,,;7.13,1.25,;9.57,,;10.34,1.33,;10.34,-1.33,;1.66,1.54,;.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCC(C)(C)C)cn1 |r,wU:11.10,wD:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;8.67,-.77,;8.67,2.31,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN(CC)CC)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;6.67,-.77,;5.33,-1.54,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1 |r,wU:11.10,wD:14.14,THB:24:25:28.29:32,(-10.49,-3.56,;-9.15,-2.79,;-7.82,-3.56,;-6.49,-2.79,;-5.15,-3.56,;-3.82,-2.79,;-2.48,-3.56,;-1.15,-2.79,;-1.15,-1.25,;-2.48,-.48,;-2.48,1.06,;-3.82,1.83,;-5.15,1.06,;-6.49,1.83,;-6.49,3.37,;-7.82,4.14,;-5.15,4.14,;-3.82,3.37,;-3.82,-1.25,;.18,-.48,;1.52,-1.25,;2.85,-.48,;2.85,1.06,;4.18,1.83,;5.52,1.06,;6.85,1.83,;7.66,.62,;9.18,.33,;10.49,1.14,;10.09,-.34,;8.81,-1.2,;7.31,-.85,;9.72,-2.66,;10.12,-4.14,;1.52,1.83,;.18,1.06,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1 |r,wU:11.10,wD:14.14,TLB:24:25:28.29:32,(-9.43,-2.5,;-8.1,-1.73,;-6.77,-2.5,;-5.43,-1.73,;-4.1,-2.5,;-2.77,-1.73,;-1.43,-2.5,;-.1,-1.73,;-.1,-.19,;-1.43,.58,;-1.43,2.12,;-2.77,2.89,;-4.1,2.12,;-5.43,2.89,;-5.43,4.43,;-6.77,5.2,;-4.1,5.2,;-2.77,4.43,;-2.77,-.19,;1.23,.58,;2.57,-.19,;3.9,.58,;3.9,2.12,;5.24,2.89,;6.57,2.12,;5.8,.78,;6.61,-.43,;8.13,-.72,;9.43,.09,;9.04,-1.4,;7.76,-2.25,;6.26,-1.91,;8.67,-3.71,;9.07,-5.2,;2.57,2.89,;1.23,2.12,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NCCC2CC2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-9.19,-2.31,;-9.19,-3.85,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
CCCC1(CC1)Nc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-5.23,-1.75,;-6.77,-1.75,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](CN)CC2)n1)-c1ccccn1 |r,wD:14.14,(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-1.33,3.85,;,3.08,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,)|
CCCCNc1ncc(c(NCCCO)n1)-c1ccccn1
CCCCNc1ncc(c(NCCCCCO)n1)-c1ccccn1
CCCCNc1ncc(-c2ccccn2)c(n1)N1CCNCC1
CCCCNc1ncc(c(NC2CCNCC2)n1)-c1ccccn1
CCCCNc1ncc(c(NCC2CCNCC2)n1)-c1ccccn1
CCCCNc1ncc(c(NCCCCO)n1)-c1ccccn1
CCCCNc1ncc(c(NCCO)n1)-c1ccccn1
CCCCNc1ncc(c(Nc2ccc(O)cc2)n1)-c1ccccn1
CCCCNc1ncc(c(Nc2ccc(N)cc2)n1)-c1ccccn1
CCCCNc1ncc(c(NCC2CC[C@H](N)CC2)n1)-c1ccccn1 |r,wD:15.15,(-6.67,-5.78,;-5.33,-5,;-4,-5.78,;-2.67,-5,;-1.33,-5.78,;,-5,;1.33,-5.78,;2.67,-5,;2.67,-3.47,;1.33,-2.69,;1.33,-1.15,;,-.38,;,1.15,;-1.33,1.93,;-1.33,3.47,;,4.23,;,5.78,;1.33,3.47,;1.33,1.93,;,-3.47,;4,-2.69,;5.33,-3.46,;6.67,-2.69,;6.67,-1.15,;5.33,-.38,;4,-1.15,)|
CCCCNc1ncc(c(NC2CCCCC2)n1)-c1ccccn1
CCCCNc1ncc(c(NC2CC[C@H](O)C2)n1)-c1ccccn1 |r|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ncccc1CN1CCOCC1 |r,wU:11.10,wD:14.14,(-4.24,-33.05,;-2.9,-32.28,;-1.57,-33.05,;-.23,-32.28,;1.11,-33.05,;2.44,-32.28,;3.78,-33.05,;5.12,-32.28,;5.11,-30.73,;3.78,-29.97,;3.77,-28.43,;2.43,-27.66,;1.11,-28.43,;-.24,-27.66,;-.24,-26.12,;-1.56,-25.35,;1.11,-25.35,;2.44,-26.12,;2.45,-30.74,;6.44,-29.96,;6.43,-28.42,;7.75,-27.65,;9.1,-28.41,;9.1,-29.95,;7.77,-30.73,;7.77,-32.27,;9.11,-33.03,;9.1,-34.57,;10.43,-35.34,;11.77,-34.58,;11.77,-33.03,;10.43,-32.26,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cnc(N)cn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(nn1)C(O)=O |r,wU:11.10,wD:14.14,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.38,.8,;4,1.54,;2.67,.77,;6.72,1.57,;6.72,3.11,;8.05,.8,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cnc(N)c(OC)n1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;4.67,1.54,;4.67,3.08,;3.33,3.85,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(nn1)N1CCCC1 |r,wU:11.10,wD:14.14,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;3.48,1.54,;2.15,.77,;6.15,1.54,;7.61,1.06,;8.52,2.31,;7.61,3.56,;6.15,3.08,)|
CCCCNc1ncc(-c2csc(C)n2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;2.82,-1.54,;4.15,-.77,;5.61,-1.25,;6.52,,;5.61,1.25,;6.38,2.58,;4.15,.77,;1.48,-.77,;1.48,.77,;.15,1.54,;-1.18,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,3.85,;.15,3.08,;.15,-1.54,)|
CCCCNc1ncc(-c2ncc(CO)s2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:18.18,wD:21.22,(-7.67,-3.85,;-6.34,-3.08,;-5.01,-3.85,;-3.67,-3.08,;-2.34,-3.85,;-1.01,-3.08,;.33,-3.85,;1.66,-3.08,;1.66,-1.54,;2.99,-.77,;2.99,.77,;4.46,1.25,;5.36,,;6.9,,;7.67,1.33,;4.46,-1.25,;.33,-.77,;.33,.77,;-1.01,1.54,;-2.34,.77,;-3.67,1.54,;-3.67,3.08,;-5.01,3.85,;-2.34,3.85,;-1.01,3.08,;-1.01,-1.54,)|
CCCCNc1ncc(-c2nccs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:16.16,wD:19.20,(-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.61,1.25,;6.52,,;5.61,-1.25,;1.48,-.77,;1.48,.77,;.15,1.54,;-1.18,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,3.85,;.15,3.08,;.15,-1.54,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(C)nn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(OC)nn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6.05,.8,;7.38,1.57,;8.72,.8,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(NC2CC2)nn1 |r,wU:11.10,wD:14.14,(-8.77,-3.85,;-7.44,-3.08,;-6.1,-3.85,;-4.77,-3.08,;-3.44,-3.85,;-2.1,-3.08,;-.77,-3.85,;.56,-3.08,;.56,-1.54,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;-4.77,1.54,;-4.77,3.08,;-6.1,3.85,;-3.44,3.85,;-2.1,3.08,;-2.1,-1.54,;1.9,-.77,;3.23,-1.54,;4.56,-.77,;4.56,.77,;5.9,1.54,;7.23,.77,;8,-.56,;8.77,.77,;3.23,1.54,;1.9,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(nn1)N1CCN(CC1)C(=O)OC(C)(C)C |r,wU:11.10,wD:14.14,(-11.34,-4.62,;-10,-3.85,;-8.67,-4.62,;-7.34,-3.85,;-6,-4.62,;-4.67,-3.85,;-3.33,-4.62,;-2,-3.85,;-2,-2.31,;-3.33,-1.54,;-3.33,,;-4.67,.77,;-6,,;-7.34,.77,;-7.34,2.31,;-8.67,3.08,;-6,3.08,;-4.67,2.31,;-4.67,-2.31,;-.67,-1.54,;.67,-2.31,;2,-1.54,;2,,;.67,.77,;-.67,,;3.33,.77,;4.67,,;6.05,.73,;6.05,2.34,;4.65,3.14,;3.33,2.31,;7.38,3.12,;7.38,4.66,;8.72,2.35,;10.05,3.12,;11.38,3.89,;10.82,1.79,;9.28,4.45,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(N)ncn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cnc(SC)cn1 |r,wU:11.10,wD:14.14,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;4,1.54,;2.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(NC)ncn1 |r,wU:11.10,wD:14.14,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;6.67,-1.54,;8,-.77,;5.33,.77,;4,1.54,;2.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(NCC)ncn1 |r,wU:11.10,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;4.67,.77,;3.33,1.54,;2,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(OC)ncn1 |r,wU:11.10,wD:14.14,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;6.67,-1.54,;8,-.77,;5.33,.77,;4,1.54,;2.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cncc(n1)N1CCCC1 |r,wU:11.10,wD:14.14,(-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-3.85,;-1.33,-4.62,;,-3.85,;1.33,-4.62,;2.67,-3.85,;2.67,-2.31,;1.33,-1.54,;1.33,,;,.77,;-1.33,,;-2.67,.77,;-2.67,2.31,;-4,3.08,;-1.33,3.08,;,2.31,;,-2.31,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;4,,;5.33,2.31,;6.67,3.08,;6.67,4.62,;4,4.62,;4,3.08,)|
CCCCNc1ncc(-c2cn(C)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;.82,-3.85,;2.15,-3.08,;2.15,-1.54,;3.48,-.77,;4.95,-1.25,;5.85,,;7.19,-.77,;4.95,1.25,;3.48,.77,;.82,-.77,;.82,.77,;-.52,1.54,;-1.85,.77,;-3.19,1.54,;-3.19,3.08,;-4.52,3.85,;-1.85,3.85,;-.52,3.08,;-.52,-1.54,)|
CCCCNc1ncc(-c2cn(cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:35.38,wD:38.42,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.95,-1.25,;3.89,,;2.95,1.25,;1.48,.77,;5.43,,;6.97,,;7.74,1.33,;9.28,1.33,;10.05,,;9.28,-1.33,;7.74,-1.33,;5.43,-1.54,;6.77,-2.31,;6.77,-3.85,;5.43,-4.62,;4.1,-3.85,;4.1,-2.31,;5.43,1.54,;4.1,2.31,;4.1,3.85,;5.43,4.62,;6.77,3.85,;6.77,2.31,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccnc(N)n1 |r,wU:11.10,wD:14.14,(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-1.33,3.85,;,3.08,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1nccnc1N |r,wU:11.10,wD:14.14,(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-1.33,3.85,;,3.08,;,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;5.33,-1.54,;5.33,-3.08,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NCCC2CC2)ncc1-c1nccs1 |r,wU:4.7,wD:1.0,(-3.85,3.85,;-2.52,3.08,;-2.52,1.54,;-1.18,.77,;.15,1.54,;.15,3.08,;-1.18,3.85,;1.48,.77,;1.48,-.77,;.15,-1.54,;.15,-3.08,;-1.18,-3.85,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-2.31,;-6.52,-3.85,;1.48,-3.85,;2.82,-3.08,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.61,1.25,;6.52,,;5.61,-1.25,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(SC)nc(C)n1 |r,wU:11.10,wD:14.14,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;6.67,-1.54,;8,-.77,;5.33,.77,;4,1.54,;4,3.08,;2.67,.77,)|
CCCCNc1ncc(-c2ncc(CN3CCN(C)CC3)s2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.25,wD:27.29,(-8.83,-3.11,;-7.5,-2.34,;-6.16,-3.11,;-4.83,-2.34,;-3.49,-3.11,;-2.16,-2.34,;-.83,-3.11,;.51,-2.34,;.51,-.8,;1.84,-.03,;1.84,1.51,;3.3,1.99,;4.21,.74,;5.75,.74,;6.52,-.59,;5.75,-1.92,;6.52,-3.26,;8.06,-3.26,;8.83,-4.59,;8.83,-1.92,;8.06,-.59,;3.3,-.5,;-.83,-.03,;-.83,1.51,;-2.16,2.28,;-3.49,1.51,;-4.83,2.28,;-4.83,3.82,;-6.16,4.59,;-3.49,4.59,;-2.16,3.82,;-2.16,-.8,)|
CCCCNc1ncc(-c2ncc(s2)C(N)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:19.19,wD:22.23,(-7.67,-3.85,;-6.34,-3.08,;-5.01,-3.85,;-3.67,-3.08,;-2.34,-3.85,;-1.01,-3.08,;.33,-3.85,;1.66,-3.08,;1.66,-1.54,;2.99,-.77,;2.99,.77,;4.46,1.25,;5.36,,;4.46,-1.25,;6.9,,;7.67,-1.33,;7.67,1.33,;.33,-.77,;.33,.77,;-1.01,1.54,;-2.34,.77,;-3.67,1.54,;-3.67,3.08,;-5.01,3.85,;-2.34,3.85,;-1.01,3.08,;-1.01,-1.54,)|
CCCCNc1ncc(-c2nc(CO)cs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:18.18,wD:21.22,(-7.01,-3.85,;-5.68,-3.08,;-4.34,-3.85,;-3.01,-3.08,;-1.68,-3.85,;-.34,-3.08,;.99,-3.85,;2.33,-3.08,;2.33,-1.54,;3.66,-.77,;3.66,.77,;5.12,1.25,;5.52,2.73,;7.01,3.13,;6.03,,;5.12,-1.25,;.99,-.77,;.99,.77,;-.34,1.54,;-1.68,.77,;-3.01,1.54,;-3.01,3.08,;-4.34,3.85,;-1.68,3.85,;-.34,3.08,;-.34,-1.54,)|
CCCCNc1ncc(-c2nc(cs2)C(N)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:19.19,wD:22.23,(-7.01,-3.85,;-5.68,-3.08,;-4.34,-3.85,;-3.01,-3.08,;-1.68,-3.85,;-.34,-3.08,;.99,-3.85,;2.33,-3.08,;2.33,-1.54,;3.66,-.77,;3.66,.77,;5.12,1.25,;6.03,,;5.12,-1.25,;5.52,2.73,;7.01,3.13,;4.43,3.82,;.99,-.77,;.99,.77,;-.34,1.54,;-1.68,.77,;-3.01,1.54,;-3.01,3.08,;-4.34,3.85,;-1.68,3.85,;-.34,3.08,;-.34,-1.54,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cncc(NC2CCCCC2)n1 |r,wU:11.10,wD:14.14,(-8,-5.01,;-6.67,-4.24,;-5.33,-5,;-4,-4.24,;-2.67,-5.01,;-1.33,-4.24,;,-5.01,;1.33,-4.24,;1.33,-2.7,;,-1.93,;,-.39,;-1.33,.38,;-2.67,-.39,;-4,.38,;-4,1.92,;-5.33,2.69,;-2.67,2.69,;-1.33,1.92,;-1.33,-2.7,;2.67,-1.93,;4,-2.7,;5.33,-1.93,;5.33,-.39,;4,.39,;4,1.93,;5.33,2.7,;6.67,1.93,;8,2.7,;8,4.24,;6.67,5.01,;5.33,4.24,;2.67,-.39,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cncc(n1)N1CCOCC1 |r,wU:11.10,wD:14.14,(-6.67,-5.01,;-5.33,-4.24,;-4,-5,;-2.67,-4.24,;-1.33,-5.01,;,-4.24,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-1.33,2.69,;,1.92,;,-2.7,;4,-1.93,;5.33,-2.7,;6.67,-1.93,;6.67,-.39,;5.33,.39,;4,-.39,;5.33,1.93,;6.67,2.7,;6.67,4.24,;5.33,5.01,;4,4.24,;4,2.7,)|
CCCCNc1ncc(-c2nc(cs2)C(O)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:19.19,wD:22.23,(-7.01,-3.85,;-5.68,-3.08,;-4.34,-3.85,;-3.01,-3.08,;-1.68,-3.85,;-.34,-3.08,;.99,-3.85,;2.33,-3.08,;2.33,-1.54,;3.66,-.77,;3.66,.77,;5.12,1.25,;6.03,,;5.12,-1.25,;5.52,2.73,;7.01,3.13,;4.43,3.82,;.99,-.77,;.99,.77,;-.34,1.54,;-1.68,.77,;-3.01,1.54,;-3.01,3.08,;-4.34,3.85,;-1.68,3.85,;-.34,3.08,;-.34,-1.54,)|
CCCCNc1ncc(-c2ncc(C)s2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(-7.29,-3.85,;-5.96,-3.08,;-4.62,-3.85,;-3.29,-3.08,;-1.95,-3.85,;-.62,-3.08,;.71,-3.85,;2.05,-3.08,;2.05,-1.54,;3.38,-.77,;3.38,.77,;4.84,1.25,;5.75,,;7.29,,;4.84,-1.25,;.71,-.77,;.71,.77,;-.62,1.54,;-1.95,.77,;-3.29,1.54,;-3.29,3.08,;-4.62,3.85,;-1.95,3.85,;-.62,3.08,;-.62,-1.54,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(nn1)-c1cccc(c1)C(O)=O |r,wU:11.10,wD:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;2,1.54,;.67,.77,;4.67,1.54,;4.67,3.08,;6,3.85,;7.34,3.08,;7.38,1.51,;6,.77,;8.72,.74,;8.72,-.8,;10.05,1.51,)|
OCCCCNc1ncc(-c2nccs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;2.15,-3.85,;3.48,-3.08,;3.48,-1.54,;4.82,-.77,;4.82,.77,;6.28,1.25,;7.19,,;6.28,-1.25,;2.15,-.77,;2.15,.77,;.82,1.54,;-.52,.77,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-.52,3.85,;.82,3.08,;.82,-1.54,)|
CCCCNc1ncc(-c2nc(cs2)C(F)(F)F)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-7.12,-3.88,;-5.79,-3.11,;-4.45,-3.88,;-3.12,-3.11,;-1.78,-3.88,;-.45,-3.11,;.88,-3.88,;2.22,-3.11,;2.22,-1.57,;3.55,-.8,;3.55,.74,;5.08,1.28,;5.92,-.03,;5.02,-1.28,;5.58,2.74,;6.07,4.2,;4.12,3.24,;7.03,2.24,;.88,-.8,;.88,.74,;-.45,1.51,;-1.78,.74,;-3.12,1.51,;-3.12,3.05,;-4.45,3.82,;-1.78,3.82,;-.45,3.05,;-.45,-1.57,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(NC(=O)c2ccc(F)cc2)ncn1 |r,wU:11.10,wD:14.14,(-10.68,-3.85,;-9.34,-3.08,;-8.01,-3.85,;-6.67,-3.08,;-5.34,-3.85,;-4.01,-3.08,;-2.67,-3.85,;-1.34,-3.08,;-1.34,-1.54,;-2.67,-.77,;-2.67,.77,;-4.01,1.54,;-5.34,.77,;-6.67,1.54,;-6.67,3.08,;-8.01,3.85,;-5.34,3.85,;-4.01,3.08,;-4.01,-1.54,;-.01,-.73,;1.36,-1.45,;2.66,-.63,;4.01,-1.37,;5.34,-.6,;5.34,.94,;6.67,-1.37,;6.67,-2.91,;8.01,-3.68,;9.34,-2.91,;10.68,-3.68,;9.34,-1.37,;8.01,-.6,;2.66,.91,;1.36,1.63,;-.01,.8,)|
CCCCNc1ncc(-c2ncc(s2)C(O)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:19.19,wD:22.23,(-7.67,-3.85,;-6.34,-3.08,;-5.01,-3.85,;-3.67,-3.08,;-2.34,-3.85,;-1.01,-3.08,;.33,-3.85,;1.66,-3.08,;1.66,-1.54,;2.99,-.77,;2.99,.77,;4.46,1.25,;5.36,,;4.46,-1.25,;6.9,,;7.67,1.33,;7.67,-1.33,;.33,-.77,;.33,.77,;-1.01,1.54,;-2.34,.77,;-3.67,1.54,;-3.67,3.08,;-5.01,3.85,;-2.34,3.85,;-1.01,3.08,;-1.01,-1.54,)|
CCCCCNc1cc(ncn1)-c1cnc(NCCCC)nc1NC1CC[C@H](O)CC1 |r,wD:27.29,(10.67,-.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;5.33,-.77,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;,.77,;1.33,1.54,;2.67,.77,;-1.33,-1.54,;-1.33,-3.08,;-2.67,-3.85,;-4,-3.08,;-5.33,-3.85,;-6.67,-3.08,;-8,-3.85,;-9.34,-3.08,;-10.67,-3.85,;-4,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,)|
CCCCNc1cc(ncn1)-c1cnc(NCCCC)nc1NC1CC[C@H](O)CC1 |r,wD:26.28,(10,-1.54,;8.67,-.77,;7.34,-1.54,;6,-.77,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;2,1.54,;3.33,.77,;-.67,-1.54,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,;-6,-3.08,;-7.34,-3.85,;-8.67,-3.08,;-10,-3.85,;-3.33,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)C)ncn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;4.67,.77,;3.33,1.54,;2,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)(C)C)ncn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;8.67,,;4.67,.77,;3.33,1.54,;2,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NCCC)ncn1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;4,.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC2CC2)ncn1 |r,wD:14.14,(-8.77,-3.85,;-7.44,-3.08,;-6.1,-3.85,;-4.77,-3.08,;-3.44,-3.85,;-2.1,-3.08,;-.77,-3.85,;.56,-3.08,;.56,-1.54,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;-4.77,1.54,;-4.77,3.08,;-6.1,3.85,;-3.44,3.85,;-2.1,3.08,;-2.1,-1.54,;1.9,-.77,;3.23,-1.54,;4.56,-.77,;5.9,-1.54,;7.23,-.77,;8.77,-.77,;8,.56,;4.56,.77,;3.23,1.54,;1.9,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCCC1 |r,wD:14.14,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;3.48,1.54,;2.15,.77,;6.15,-1.54,;6.15,-3.08,;7.61,-3.56,;8.52,-2.31,;7.61,-1.06,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC2CCCCC2)ncn1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;6.67,.77,;4,.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC2CCCC2)ncn1 |r,wD:14.14,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;5.48,-1.54,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;6.82,.77,;4.15,.77,;2.82,1.54,;1.48,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCCCC1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;3.33,1.54,;2,.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCOCC1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;3.33,1.54,;2,.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCN(C)CC1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;8,-1.54,;6.67,-.77,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccc(cc2)C#C)ncc1-c1ccccn1 |r,wD:1.0,(-3.33,3.85,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;.67,3.08,;-.67,3.85,;2,.77,;2,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-6,-.77,;-7.34,,;2,-3.85,;3.33,-3.08,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;7.34,.77,;6,1.54,;4.67,.77,)|
CCCCNc1ncc(-c2ncc(CN3CCCC3)s2)c(NC2CC[C@H](O)CC2)n1 |r,wD:25.27,(-8.41,-3.85,;-7.07,-3.08,;-5.74,-3.85,;-4.41,-3.08,;-3.07,-3.85,;-1.74,-3.08,;-.4,-3.85,;.93,-3.08,;.93,-1.54,;2.26,-.77,;2.26,.77,;3.73,1.25,;4.63,,;6.17,,;6.94,-1.33,;8.41,-1.81,;8.41,-3.35,;6.94,-3.83,;6.04,-2.58,;3.73,-1.25,;-.4,-.77,;-.4,.77,;-1.74,1.54,;-3.07,.77,;-4.41,1.54,;-4.41,3.08,;-5.74,3.85,;-3.07,3.85,;-1.74,3.08,;-1.74,-1.54,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(NC2CCCCCC2)ncn1 |r,wU:11.10,wD:14.14,(-9.69,-3.85,;-8.36,-3.08,;-7.02,-3.85,;-5.69,-3.08,;-4.35,-3.85,;-3.02,-3.08,;-1.69,-3.85,;-.35,-3.08,;-.35,-1.54,;-1.69,-.77,;-1.69,.77,;-3.02,1.54,;-4.35,.77,;-5.69,1.54,;-5.69,3.08,;-7.02,3.85,;-4.35,3.85,;-3.02,3.08,;-3.02,-1.54,;.98,-.77,;2.31,-1.54,;3.65,-.77,;4.98,-1.54,;6.32,-.77,;7.52,-1.73,;9.02,-1.39,;9.69,,;9.02,1.39,;7.52,1.73,;6.32,.77,;3.65,.77,;2.31,1.54,;.98,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2ccccc2)ncn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;6.67,.77,;4,.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2ccc(OC)cc2)ncn1 |r,wU:11.10,wD:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;8.72,.8,;10.05,1.57,;11.38,.8,;8.67,-.77,;7.34,-1.54,;3.33,.77,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2cccc(OC)c2)ncn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8.05,-.8,;9.38,-1.57,;9.38,-3.11,;6.67,-1.54,;2.67,.77,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2ccccc2OC)ncn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;8.03,-1.63,;8.05,-3.17,;9.39,-3.93,;4,.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2cccc(c2)[N+]([O-])=O)ncn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8.05,-.8,;6.67,-1.54,;9.38,-1.57,;10.72,-.8,;9.38,-3.11,;2.67,.77,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2cccc(c2)C(C)C)ncn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;6.67,-1.54,;9.34,-1.54,;9.34,-3.08,;10.67,-.77,;2.67,.77,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2cccc(c2)C(C)(C)C)ncn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;6.67,-1.54,;9.34,-1.54,;9.34,-3.08,;10.67,-.77,;10.67,-2.31,;2.67,.77,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2cccc(c2)-c2ccccc2)ncn1 |r,wU:11.10,wD:14.14,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,;-.67,-.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;6,-1.54,;8.67,-1.54,;8.67,-3.08,;10,-3.85,;11.34,-3.08,;11.34,-1.54,;10,-.77,;2,.77,;.67,1.54,;-.67,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CC1)N1CCOCC1 |(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;6.1,2.87,;4.56,2.87,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,)|
CCCC1(CC1)Nc1ncc(c(NC2CCC(O)CC2)n1)-c1ccccn1 |(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.9,-1.75,;-3.44,-1.75,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;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,;-2.67,1.54,;-1.33,.77,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CCC1)N1CCOCC1 |(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;6.42,2.63,;5.33,3.72,;4.25,2.63,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CCCC1)N1CCOCC1 |(-9.34,-3.88,;-8,-3.11,;-6.67,-3.88,;-5.33,-3.11,;-4,-3.88,;-2.67,-3.11,;-1.33,-3.88,;,-3.11,;,-1.57,;-1.33,-.8,;-1.33,.74,;-2.67,1.51,;-2.67,3.05,;-4,3.82,;-5.33,3.05,;-6.67,3.82,;-5.33,1.51,;-4,.74,;-2.67,-1.57,;1.33,-.8,;2.67,-1.57,;4,-.8,;4,.74,;2.67,1.51,;1.33,.74,;5.33,1.51,;6.58,2.42,;6.1,3.88,;4.56,3.88,;4.09,2.42,;6.67,.74,;6.67,-.8,;8,-1.57,;9.34,-.8,;9.34,.74,;8,1.51,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CCC1)N1CCN(C)CC1 |(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;2,1.54,;.67,.77,;4.67,1.54,;5.76,2.63,;4.67,3.72,;3.58,2.63,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(N)cn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;4.67,1.54,;3.33,.77,)|
CCCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(63.37,-31.5,;64.7,-32.28,;66.03,-31.51,;67.37,-32.28,;68.7,-31.51,;70.03,-32.28,;71.37,-31.51,;72.7,-32.28,;74.04,-31.51,;74.03,-29.96,;72.7,-29.2,;72.69,-27.66,;71.36,-26.89,;70.03,-27.66,;68.7,-26.89,;68.7,-25.35,;67.36,-24.57,;70.03,-24.58,;71.36,-25.34,;71.37,-29.97,;75.37,-29.18,;76.7,-29.96,;78.03,-29.18,;78.02,-27.64,;76.68,-26.88,;75.36,-27.65,)|
CCCCN(C)c1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(13.82,-42.69,;15.15,-41.92,;16.49,-42.69,;17.82,-41.92,;19.15,-42.69,;19.15,-44.23,;20.49,-41.92,;21.82,-42.69,;23.16,-41.92,;23.15,-40.37,;21.82,-39.61,;21.81,-38.07,;20.48,-37.3,;19.15,-38.07,;17.82,-37.3,;17.82,-35.76,;16.48,-34.99,;19.15,-34.99,;20.48,-35.76,;20.49,-40.38,;24.49,-39.6,;25.82,-40.37,;27.15,-39.6,;27.14,-38.05,;25.8,-37.29,;24.48,-38.06,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NC2CCCCC2)ncc1-c1ccccn1 |r,wU:4.7,wD:1.0,(42.68,-36.74,;44.01,-37.51,;44.01,-39.05,;45.35,-39.82,;46.67,-39.05,;46.67,-37.51,;45.35,-36.74,;48.01,-39.82,;48.01,-41.36,;46.69,-42.13,;46.68,-43.67,;45.35,-44.44,;44.02,-43.67,;44.02,-42.13,;42.7,-41.36,;41.36,-42.12,;41.36,-43.67,;42.69,-44.45,;48.02,-44.45,;49.35,-43.67,;49.35,-42.12,;50.68,-41.35,;52.01,-42.12,;53.34,-41.35,;53.34,-39.8,;51.99,-39.04,;50.68,-39.81,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(ncc1-c1ccccn1)N1CCCCC1 |r,wU:4.7,wD:1.0,(28.78,-35.05,;30.11,-35.82,;30.11,-37.36,;31.45,-38.14,;32.77,-37.36,;32.77,-35.82,;31.45,-35.05,;34.11,-38.13,;34.11,-39.67,;32.79,-40.44,;32.78,-41.98,;34.12,-42.75,;35.46,-41.98,;35.45,-40.43,;36.78,-39.66,;38.11,-40.43,;39.44,-39.66,;39.44,-38.11,;38.09,-37.35,;36.78,-38.12,;31.45,-42.75,;30.12,-41.97,;28.79,-42.74,;28.79,-44.28,;30.12,-45.05,;31.46,-44.29,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccc(C=C)cc2)ncc1-c1ccccn1 |r,wD:1.0,(-3.33,3.85,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;.67,3.08,;-.67,3.85,;2,.77,;2,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-4.67,-3.08,;-3.33,-3.85,;2,-3.85,;3.33,-3.08,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;7.34,.77,;6,1.54,;4.67,.77,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2cccc(c2)C#C)ncc1-c1ccccn1 |r,wD:1.0,(-3.33,4.23,;-2,3.46,;-2,1.92,;-.67,1.15,;.67,1.92,;.67,3.46,;-.67,4.23,;2,1.15,;2,-.39,;.67,-1.16,;.67,-2.7,;-.67,-3.47,;-2,-2.7,;-2,-1.16,;-3.33,-.39,;-4.67,-1.16,;-4.67,-2.7,;-3.33,-3.47,;-6,-3.46,;-7.34,-4.23,;2,-3.46,;3.33,-2.7,;3.33,-1.16,;4.67,-.38,;6,-1.15,;7.34,-.38,;7.34,1.16,;6,1.93,;4.67,1.16,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccccc2C#C)ncc1-c1ccccn1 |r,wD:1.0,(-4.67,5.39,;-3.33,4.62,;-3.33,3.08,;-2,2.31,;-.67,3.08,;-.67,4.62,;-2,5.39,;.67,2.31,;.67,.77,;-.67,,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;-3.33,,;-4.67,.77,;-6,,;-6,-1.54,;-4.67,-2.31,;-4.67,-3.85,;-4.67,-5.39,;.67,-2.31,;2,-1.54,;2,,;3.33,.77,;4.67,,;6,.77,;6,2.31,;4.67,3.08,;3.33,2.31,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccc3ccccc3c2)ncc1-c1ccccn1 |r,wD:1.0,(-4,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,;,1.54,;,3.08,;-1.33,3.85,;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,;-6.67,.77,;-5.33,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2cccc3ccccc23)ncc1-c1ccccn1 |r,wD:1.0,(-4,5,;-2.67,4.23,;-2.67,2.69,;-1.33,1.92,;,2.69,;,4.23,;-1.33,5,;1.33,1.92,;1.33,.38,;,-.39,;,-1.93,;-1.33,-2.7,;-2.67,-1.93,;-2.67,-.39,;-4,.38,;-5.33,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-4,-2.7,;1.33,-2.69,;2.67,-1.93,;2.67,-.39,;4,.39,;5.33,-.38,;6.67,.39,;6.67,1.93,;5.33,2.7,;4,1.93,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccccn2)ncc1-c1ccccn1 |r,wD:1.0,(-4.67,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;-.67,-1.54,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-6,-3.08,;-4.67,-3.85,;.67,-3.85,;2,-3.08,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccnc2)ncc1-c1ccccn1 |r,wU:4.7,wD:1.0,(-4.67,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;-.67,-1.54,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-6,-3.08,;-4.67,-3.85,;.67,-3.85,;2,-3.08,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccncc2)ncc1-c1ccccn1 |r,wD:1.0,(-4.67,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;-.67,-1.54,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-6,-3.08,;-4.67,-3.85,;.67,-3.85,;2,-3.08,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,)|
COc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1 |r,wU:13.12,wD:16.16,(-9.85,-1.54,;-8.52,-.77,;-7.19,-1.54,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;6.15,1.54,;7.48,.77,;7.48,-.77,;8.95,-1.25,;9.85,,;8.95,1.25,;3.48,1.54,;2.15,.77,;-4.52,-1.54,;-5.85,-.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(F)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
Cc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1 |r,wU:12.11,wD:15.15,(-9.19,-.77,;-7.85,-1.54,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,;-5.19,-1.54,;-6.52,-.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(F)(F)F)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-9.19,-.77,;-10.52,-1.54,;-9.19,.77,;-9.19,-2.31,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2F)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-7.19,4.62,;-5.85,3.85,;-5.85,2.31,;-4.52,1.54,;-3.19,2.31,;-3.19,3.85,;-4.52,4.62,;-1.85,1.54,;-1.85,,;-3.19,-.77,;-3.19,-2.31,;-4.52,-3.08,;-5.85,-2.31,;-5.85,-.77,;-7.19,,;-8.52,-.77,;-8.52,-2.31,;-7.19,-3.08,;-7.19,-4.62,;-1.85,-3.08,;-.52,-2.31,;-.52,-.77,;.82,,;2.15,-.77,;3.48,,;3.48,1.54,;4.82,2.31,;6.15,1.54,;6.15,,;7.61,-.48,;8.52,.77,;7.61,2.02,;2.15,2.31,;.82,1.54,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(F)c2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-5.19,-1.54,;-6.52,-.77,;-7.85,-1.54,;-7.85,-3.08,;-9.19,-3.85,;-6.52,-3.85,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)[N+]#[C-])ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-5.85,3.85,;-4.52,3.08,;-4.52,1.54,;-3.19,.77,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-.52,.77,;-.52,-.77,;-1.85,-1.54,;-1.85,-3.08,;-3.19,-3.85,;-4.52,-3.08,;-5.85,-3.85,;-7.19,-3.08,;-7.25,-1.46,;-5.85,-.77,;-4.52,-1.54,;-8.57,-.67,;-9.9,.11,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;6.15,1.54,;7.48,.77,;7.48,-.77,;8.95,-1.25,;9.85,,;8.95,1.25,;3.48,1.54,;2.15,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Br)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CC(C)NC(C)C2)cn1 |(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;8.67,-.77,;7.34,-1.54,;7.34,-3.08,;6,-.77,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CCN[C@@H](C)C2)cn1 |r,wD:28.30,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;10,1.54,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2C[C@H](C)NC[C@H]2C)cn1 |r,wU:30.33,wD:26.28,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;8.67,-.77,;7.34,-1.54,;6,-.77,;4.67,-1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CCNCC2(C)C)cn1 |(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;8,-1.54,;6.67,-.77,;6.67,-2.31,;5.33,-1.54,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CCNC[C@@H]2C)cn1 |r,wU:29.32,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;8,3.08,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2C[C@@H]3C[C@H]2CN3)cn1 |r,wD:28.29,26.28,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;8.16,-.37,;6.67,-.77,;8,-1.54,;9.34,-.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CCN[C@H](C)C2)cn1 |r,wU:28.30,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;10,1.54,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC(C)(C)C)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;8,3.08,;9.34,2.31,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC23CC4CC(CC(C4)C2)C3)cn1 |r,wU:11.10,wD:14.14,TLB:24:25:28:31.32.30,32:31:34:28.27.26,32:27:34:31.33.30,THB:33:31:28:34.25.26,33:25:28:31.32.30,(-9.75,-4.66,;-8.41,-3.89,;-7.08,-4.66,;-5.75,-3.89,;-4.41,-4.66,;-3.08,-3.89,;-1.75,-4.66,;-.41,-3.89,;-.41,-2.35,;-1.75,-1.58,;-1.75,-.04,;-3.08,.73,;-4.41,-.04,;-5.75,.73,;-5.75,2.27,;-7.08,3.04,;-4.41,3.04,;-3.08,2.27,;-3.08,-2.35,;.92,-1.58,;2.26,-2.35,;3.59,-1.58,;3.59,-.04,;4.92,.73,;6.26,-.04,;7.65,1.1,;8.42,3.1,;8.42,4.66,;7.09,3.9,;7.09,2.36,;8.42,1.58,;9.75,2.36,;9.75,3.9,;8.85,.43,;6.25,.45,;2.26,.73,;.92,-.04,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2C3CCC2CC3)cn1 |r,wU:11.10,wD:14.14,THB:23:24:30.29:26.27,(-9.63,-3.85,;-8.29,-3.08,;-6.96,-3.85,;-5.63,-3.08,;-4.29,-3.85,;-2.96,-3.08,;-1.63,-3.85,;-.29,-3.08,;-.29,-1.54,;-1.63,-.77,;-1.63,.77,;-2.96,1.54,;-4.29,.77,;-5.63,1.54,;-5.63,3.08,;-6.96,3.85,;-4.29,3.85,;-2.96,3.08,;-2.96,-1.54,;1.04,-.77,;2.37,-1.54,;3.71,-.77,;3.71,.77,;5.04,1.54,;6.38,.77,;8.87,2.01,;9.63,.92,;8.09,.92,;7.33,2.01,;7.33,3.5,;8.87,3.5,;2.37,1.54,;1.04,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2C(C)(C)C2(C)C)cn1 |r,wU:11.10,wD:14.14,(-10.11,-4.13,;-8.77,-3.36,;-7.44,-4.13,;-6.1,-3.36,;-4.77,-4.13,;-3.44,-3.36,;-2.1,-4.13,;-.77,-3.36,;-.77,-1.82,;-2.1,-1.05,;-2.1,.49,;-3.44,1.26,;-4.77,.49,;-6.1,1.26,;-6.1,2.8,;-7.44,3.57,;-4.77,3.57,;-3.44,2.8,;-3.44,-1.82,;.56,-1.05,;1.9,-1.82,;3.23,-1.05,;3.23,.49,;4.56,1.26,;5.9,.49,;7.23,1.26,;8,2.59,;8,4.13,;9.34,3.36,;8.77,1.26,;10.11,.49,;10.11,2.03,;1.9,1.26,;.56,.49,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(COC(C)C)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;8,3.08,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2C3CCC2CCC3)cn1 |r,wU:11.10,wD:14.14,TLB:23:24:26.27:29.31.30,(-8.88,-3.81,;-7.54,-3.04,;-6.21,-3.81,;-4.88,-3.04,;-3.54,-3.81,;-2.21,-3.04,;-.88,-3.81,;.46,-3.04,;.46,-1.5,;-.88,-.73,;-.88,.81,;-2.21,1.58,;-3.54,.81,;-4.88,1.58,;-4.88,3.12,;-6.21,3.89,;-3.54,3.89,;-2.21,3.12,;-2.21,-1.5,;1.79,-.73,;3.13,-1.5,;4.46,-.73,;4.46,.81,;5.79,1.58,;7.13,.81,;6.82,-2.22,;5.39,-2.78,;6.04,-1.39,;7.45,-.78,;8.86,-1.39,;8.88,-3.89,;8.25,-2.78,;3.13,1.58,;1.79,.81,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CCCN2CCCC2)cn1 |r,wU:11.10,wD:14.14,(-10.52,-3.85,;-9.19,-3.08,;-7.85,-3.85,;-6.52,-3.08,;-5.19,-3.85,;-3.85,-3.08,;-2.52,-3.85,;-1.18,-3.08,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-6.52,1.54,;-6.52,3.08,;-7.85,3.85,;-5.19,3.85,;-3.85,3.08,;-3.85,-1.54,;.15,-.77,;1.48,-1.54,;2.82,-.77,;2.82,.77,;4.15,1.54,;5.48,.77,;6.82,1.54,;8.15,.77,;8.15,-.77,;9.62,-1.25,;10.52,,;9.62,1.25,;1.48,1.54,;.15,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CCN2CCCC2)cn1 |r,wU:11.10,wD:14.14,(-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;-.52,-1.54,;-1.85,-.77,;-1.85,.77,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-5.85,3.08,;-7.19,3.85,;-4.52,3.85,;-3.19,3.08,;-3.19,-1.54,;.82,-.77,;2.15,-1.54,;3.48,-.77,;3.48,.77,;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,;2.15,1.54,;.82,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CCN2CCCN(C)CC2)cn1 |r,wU:11.10,wD:14.14,(-11.13,-3.95,;-9.79,-3.18,;-8.46,-3.95,;-7.12,-3.18,;-5.79,-3.95,;-4.46,-3.18,;-3.12,-3.95,;-1.79,-3.18,;-1.79,-1.64,;-3.12,-.87,;-3.12,.67,;-4.46,1.44,;-5.79,.67,;-7.12,1.44,;-7.12,2.98,;-8.46,3.75,;-5.79,3.75,;-4.46,2.98,;-4.46,-1.64,;-.46,-.87,;.88,-1.64,;2.21,-.87,;2.21,.67,;3.54,1.44,;4.88,.67,;6.21,1.44,;6.21,2.98,;7.42,3.95,;8.92,3.6,;9.59,2.21,;11.13,2.21,;8.92,.83,;7.42,.48,;.88,1.44,;-.46,.67,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CCN(C)C)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;9.34,.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Cl)c(CN2CCCC2)cn1 |r,wU:11.10,wD:14.14,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;5.48,-1.54,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(O)c(CN2CCCC2)cn1 |r,wU:11.10,wD:14.14,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;5.48,-1.54,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CC2CCNCC2)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(C=C2CCNCC2)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CC2CCN(C)CC2)cn1 |r,wU:11.10,wD:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(C=C2CCN(C)CC2)cn1 |r,wU:11.10,wD:14.14,(-10,-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,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CC2CCN(CC2)C(C)C)cn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;5.33,-.77,;6.67,-1.54,;8,-.77,;8,.77,;6.67,1.54,;9.34,-1.54,;10.67,-.77,;9.34,-3.08,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(C=C2CCN(CC2)C(C)C)cn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;5.33,-.77,;6.67,-1.54,;8,-.77,;8,.77,;6.67,1.54,;9.34,-1.54,;10.67,-.77,;9.34,-3.08,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCNCC1 |r,wU:11.10,wD:14.14,t:28,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;3.33,1.54,;2,.77,;6,1.54,;6,3.08,;7.34,3.85,;8.67,3.08,;8.67,1.54,;7.34,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCN(C)CC1 |r,wU:11.10,wD:14.14,t:28,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;5.33,3.08,;6.67,3.85,;8,3.08,;9.34,3.85,;8,1.54,;6.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCN(CC1)C(C)C |r,wU:11.10,wD:14.14,t:28,(-10,-4.62,;-8.67,-3.85,;-7.34,-4.62,;-6,-3.85,;-4.67,-4.62,;-3.33,-3.85,;-2,-4.62,;-.67,-3.85,;-.67,-2.31,;-2,-1.54,;-2,,;-3.33,.77,;-4.67,,;-6,.77,;-6,2.31,;-7.34,3.08,;-4.67,3.08,;-3.33,2.31,;-3.33,-2.31,;.67,-1.54,;2,-2.31,;3.33,-1.54,;3.33,,;2,.77,;.67,,;4.67,.77,;4.67,2.31,;6,3.08,;7.34,2.31,;7.34,.77,;6,,;8.67,3.08,;10,2.31,;8.67,4.62,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCC(CN(C)C)CC1 |r,wU:11.10,wD:14.14,t:28,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.08,;8,3.85,;9.34,3.08,;10.67,3.85,;9.34,1.54,;6.67,1.54,;5.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CC2CCNC2)cn1 |r,wU:11.10,wD:14.14,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;8.28,1.25,;9.19,,;8.28,-1.25,;6.82,-.77,;2.82,1.54,;1.48,.77,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)S(N)(=O)=O)c(NC2CC[C@H](O)CC2)n1 |r,wD:28.29,(-10,-3.18,;-8.67,-2.41,;-7.34,-3.18,;-6,-2.41,;-4.67,-3.18,;-3.33,-2.41,;-2,-3.18,;-.67,-2.41,;-.67,-.87,;.67,-.1,;.67,1.44,;2,-.87,;3.33,-.1,;4.67,-.87,;4.67,-2.41,;6,-3.18,;7.34,-2.41,;7.34,-.87,;6,-.1,;8.67,-3.18,;10,-2.41,;7.9,-4.52,;9.44,-4.52,;-2,-.1,;-2,1.44,;-3.33,2.21,;-4.67,1.44,;-6,2.21,;-6,3.75,;-7.34,4.52,;-4.67,4.52,;-3.33,3.75,;-3.33,-.87,)|
CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;7.34,.77,;8.67,1.54,;6,1.54,;4.67,.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
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O[C@H]1CCC(CC1)Nc1nc(NCCN2CCOCC2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wD:1.0,(-7.34,3.85,;-6,3.08,;-6,1.54,;-4.67,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,.77,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-4.67,-3.85,;-6,-3.08,;-7.34,-3.85,;-8.67,-3.08,;-8.67,-1.54,;-10,-.77,;-11.34,-1.54,;-11.34,-3.08,;-10,-3.85,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;.67,-.77,;.67,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,;7.34,1.54,;6.57,2.87,;8.11,2.87,;8.67,.77,;8.67,-.77,;10,-1.54,;11.34,-.77,;11.34,.77,;10,1.54,)|
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CS(=O)(=O)CCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:34.36,(-10.67,-3.85,;-9.34,-3.08,;-10.11,-1.75,;-8.57,-1.75,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.67,.77,;6.67,1.54,;5.9,2.87,;7.44,2.87,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
O[C@H]1CCC(CC1)Nc1nc(NCCC2CC2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wD:1.0,(-7.9,3.85,;-6.57,3.08,;-6.57,1.54,;-5.23,.77,;-3.9,1.54,;-3.9,3.08,;-5.23,3.85,;-2.56,.77,;-2.56,-.77,;-3.9,-1.54,;-3.9,-3.08,;-5.23,-3.85,;-6.57,-3.08,;-7.9,-3.85,;-9.23,-3.08,;-10,-1.75,;-10.77,-3.08,;-2.56,-3.85,;-1.23,-3.08,;-1.23,-1.54,;.1,-.77,;.1,.77,;1.44,-1.54,;2.77,-.77,;4.1,-1.54,;5.44,-.77,;5.44,.77,;4.1,1.54,;2.77,.77,;6.77,1.54,;6,2.87,;7.54,2.87,;8.11,.77,;8.11,-.77,;9.44,-1.54,;10.77,-.77,;10.77,.77,;9.44,1.54,)|
O[C@H]1CCC(CC1)Nc1nc(NCCCC(F)(F)F)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wD:1.0,(-8,3.85,;-6.67,3.08,;-6.67,1.54,;-5.33,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,.77,;-2.67,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-6.67,-3.08,;-8,-3.85,;-9.34,-3.08,;-10.67,-3.85,;-12,-3.08,;-10.67,-5.39,;-9.34,-4.62,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.67,.77,;6.67,1.54,;5.9,2.87,;7.44,2.87,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CCNCC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CC[C@H](N)CC2)n1 |r,wD:33.35,(-10.67,-5.78,;-9.34,-5,;-8,-5.78,;-6.67,-5,;-5.33,-5.78,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;,-1.15,;1.33,-3.47,;2.67,-2.69,;4,-3.47,;5.33,-2.69,;5.33,-1.15,;4,-.38,;2.67,-1.15,;6.67,-.38,;5.9,.95,;7.44,.95,;8,-1.15,;8,-2.69,;9.34,-3.47,;10.67,-2.69,;10.67,-1.15,;9.34,-.38,;-2.67,-2.69,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,1.93,;-5.33,3.47,;-4,4.23,;-4,5.78,;-2.67,3.47,;-2.67,1.93,;-4,-3.47,)|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CCNCC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCCCCCCNC(=O)OC(C)(C)C)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCCCCCCN)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(n1)N1CCN(CCO)CC1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CCOCC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCCN2CCOCC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCCOCCO)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC(C)C)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CCN(C2)C(=O)OC(C)(C)C)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC[C@@H]2CCCN(C2)C(=O)OC(C)(C)C)n1 |r|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCCCOC)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCCCCCO)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCCC2CCOCC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CCOCC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCCC2CC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCCCCO)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCCc2ccc(F)cc2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CCCC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCc2cccnc2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(n1)N1CCOCC1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CCCCC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CCCCC2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@@H]2CCNC2)n1 |r|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC[C@@H]2CCCNC2)n1 |r|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CCNC2)n1 |r|
CCCCNc1ncc(C(=O)NCCN2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;6.67,.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)S(=O)(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C |r,wU:11.10,wD:14.14,(-13.34,-3.85,;-12,-3.08,;-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-6.67,1.54,;-8,.77,;-9.34,1.54,;-9.34,3.08,;-10.67,3.85,;-8,3.85,;-6.67,3.08,;-6.67,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;1.33,1.54,;.56,2.87,;2.1,2.87,;2.67,.77,;4,1.54,;5.33,.77,;5.33,-.77,;6.67,-1.54,;8,-.77,;8,.77,;6.67,1.54,;9.34,-1.54,;9.34,-3.08,;10.67,-.77,;12,-1.54,;13.34,-.77,;12,-3.08,;13.34,-2.31,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)S(=O)(=O)NCC1CCNCC1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;4,1.54,;3.23,2.87,;4.77,2.87,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)S(=O)(=O)NC1CCN(CC1)C(=O)OC(C)(C)C |r,wU:11.10,wD:14.14,(-12.67,-4.62,;-11.34,-3.85,;-10,-4.62,;-8.67,-3.85,;-7.34,-4.62,;-6,-3.85,;-4.67,-4.62,;-3.33,-3.85,;-3.33,-2.31,;-4.67,-1.54,;-4.67,,;-6,.77,;-7.34,,;-8.67,.77,;-8.67,2.31,;-10,3.08,;-7.34,3.08,;-6,2.31,;-6,-2.31,;-2,-1.54,;-.67,-2.31,;.67,-1.54,;.67,,;-.67,.77,;-2,,;2,.77,;1.23,2.1,;2.77,2.1,;3.33,,;4.67,.77,;6,,;7.38,.73,;7.39,2.34,;5.98,3.14,;4.67,2.31,;8.72,3.12,;8.72,4.66,;10.05,2.35,;11.39,3.12,;12.72,3.89,;12.16,1.79,;10.61,4.45,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:11.10,wD:14.14,(15.34,-10.98,;16.67,-10.21,;18,-10.98,;19.34,-10.21,;20.67,-10.98,;22,-10.22,;23.34,-10.99,;24.68,-10.21,;24.67,-8.66,;23.33,-7.9,;23.33,-6.36,;21.99,-5.59,;20.67,-6.37,;19.33,-5.59,;19.33,-4.05,;18,-3.28,;20.67,-3.28,;21.99,-4.05,;22.01,-8.67,;26,-7.89,;27.33,-8.66,;28.66,-7.89,;28.66,-6.34,;27.31,-5.58,;25.99,-6.36,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCCCC2)cn1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;2.67,1.54,;1.33,.77,)|
CCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wD:12.12,(-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.67,.77,)|
OCCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wD:15.15,(-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;2,-3.85,;3.33,-3.08,;3.33,-1.54,;2,-.77,;2,.77,;.67,1.54,;-.67,.77,;-2,1.54,;-2,3.08,;-3.33,3.85,;-.67,3.85,;.67,3.08,;.67,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;7.34,.77,;6,1.54,;4.67,.77,)|
OCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:14.14,(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;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,;-2.67,1.54,;-1.33,.77,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccccc2)ncc1-c1ccccn1 |r,wD:1.0,(-4.67,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;-.67,-1.54,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-6,-3.08,;-4.67,-3.85,;.67,-3.85,;2,-3.08,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,)|
O[C@H]1CCC(CC1)Nc1nc(NCCc2ccccc2)ncc1-c1ccccn1 |r,wU:1.0,(-3.33,3.85,;-2,3.08,;-.67,3.85,;.67,3.08,;.67,1.54,;-.67,.77,;-2,1.54,;2,.77,;2,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-3.33,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;2,-3.85,;3.33,-3.08,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;7.34,.77,;6,1.54,;4.67,.77,)|
OCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:13.13,(-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-4.67,3.85,;-3.33,1.54,;-2,.77,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,)|
O[C@H]1CCC(CC1)Nc1nc(NCc2ccccc2)ncc1-c1ccccn1 |r,wD:1.0,(-4,5,;-2.67,4.23,;-2.67,2.69,;-1.33,1.92,;,2.69,;,4.23,;-1.33,5.01,;1.33,1.92,;1.33,.38,;,-.39,;,-1.93,;-1.33,-2.7,;-2.67,-1.93,;-4,-2.7,;-5.33,-1.92,;-6.67,-2.7,;-6.67,-4.23,;-5.33,-5.01,;-4,-4.23,;1.33,-2.7,;2.67,-1.93,;2.67,-.39,;4,.38,;5.33,-.38,;6.67,.38,;6.67,1.92,;5.33,2.69,;4,1.92,)|
CCCC(C)Nc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(.76,-42.22,;2.1,-41.45,;3.43,-42.22,;4.76,-41.46,;4.76,-39.92,;6.1,-42.23,;7.43,-41.46,;8.76,-42.23,;10.1,-41.46,;10.1,-39.91,;8.76,-39.14,;8.76,-37.6,;7.42,-36.84,;6.09,-37.61,;4.76,-36.83,;4.76,-35.29,;3.42,-34.52,;6.09,-34.52,;7.42,-35.29,;7.43,-39.91,;11.43,-39.13,;12.76,-39.9,;14.09,-39.13,;14.08,-37.59,;12.74,-36.82,;11.42,-37.59,)|
CCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:10.9,wD:13.13,(52.63,-30.64,;53.96,-31.41,;55.29,-30.64,;56.63,-31.41,;57.96,-30.64,;59.29,-31.41,;60.63,-30.64,;60.63,-29.09,;59.29,-28.32,;59.29,-26.78,;57.95,-26.02,;56.62,-26.79,;55.29,-26.02,;55.29,-24.47,;53.95,-23.7,;56.62,-23.71,;57.95,-24.47,;57.96,-29.09,;61.96,-28.31,;63.29,-29.08,;64.62,-28.31,;64.61,-26.77,;63.27,-26,;61.95,-26.78,)|
N[C@H]1CCCNc2nc(NCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCCNc2nc(NCCCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCCNc2nc(NCCCCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCCNc2nc(NCCCNC1=O)ncc2C(=O)Nc1ccc(CN2CCOCC2)cc1 |r|
N[C@H]1CCCNc2nc(NCCCCNC1=O)ncc2C(=O)Nc1ccc(CN2CCOCC2)cc1 |r|
N[C@H]1CCCCNc2nc(NCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCCCNc2nc(NCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCCCNc2nc(NCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
c1cc(ccc1CNC(=O)c2cnc3nc2NCCCC[C@@H](C(=O)NCCCCCCN3)N)F
N[C@H]1CCCCNc2nc(NCCCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCCCNc2nc(NCCCCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCNc2nc(NCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCNc2nc(NCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCNc2nc(NCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCNc2nc(NCCCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@H]1CCNc2nc(NCCCCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
Fc1ccc(CNC(=O)c2cnc3NCCCCCCNC(=O)CCCCCNc2n3)cc1
N[C@H]1CCCCNc2nc(NCCCCCCOC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
CN1CCN(Cc2ccc(CNC(=O)c3cnc4NCCCCNC(=O)[C@@H](N)CCCNc3n4)cc2)CC1 |r|
N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc1cccnc1 |r|
N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc1ccncc1 |r|
N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NC1CCNCC1 |r|
N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc1ccccn1 |r|
COc1cc(CNC(=O)c2cnc3NCCCCCCNC(=O)[C@@H](N)CCCCNc2n3)cc(OC)c1 |r|
CN(C)c1ccc(CNC(=O)c2cnc3NCCCCCCNC(=O)[C@@H](N)CCCCNc2n3)cc1 |r|
N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)Nc1ccc(CN2CCOCC2)cc1 |r|
N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc1ccc(nc1)-n1cccn1 |r|
N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NC1CCOCC1 |r|
CN1CCN(CC1)c1ccc(NC(=O)c2cnc3NCCCCCCNC(=O)[C@@H](N)CCCCNc2n3)cc1 |r|
N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NC1CCN(Cc2ccccc2)CC1 |r|
CN(C)CCNC(=O)c1cnc2NCCCCCCNC(=O)[C@@H](N)CCCCNc1n2 |r|
N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc1ccc(cc1)N1CCOCC1 |r|
N[C@H]1CCCCNc2nc(NC\C=C/C=C\CNC1=O)ncc2C(=O)NC1CCN(Cc2ccccc2)CC1 |r,c:12,14|
N[C@@H]1CCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NC1CCN(Cc2ccccc2)CC1 |r|
N[C@@H]1CCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r|
N[C@@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NC1CCN(CC2CC2)CC1 |r|
N[C@H]1CCCCNc2nc(NCc3ccc(CNC1=O)cc3)ncc2C(=O)NCc1ccc(nc1)-n1cccn1 |r|
N[C@H]1CCCCNc2nc(NCc3ccc(CNC1=O)cc3)ncc2C(=O)NC1CCN(Cc2ccccc2)CC1 |r|
OC1CCCCCNc2ncc(C(=O)NCc3ccc(F)cc3)c(NCCC1)n2 |w:1.0|
OC1CCCCCCCNc2ncc(C(=O)NCc3ccc(F)cc3)c(NCCCC1)n2 |w:1.0|
OC1CCCCCCCCCNc2ncc(C(=O)NCc3ccc(F)cc3)c(NCCCC1)n2 |w:1.0|
OCc1ccc(nc1)-c1cnc2NCCCCCCCC(O)CCCCNc1n2
Cc1ccc(nc1)-c1cnc2NCCCCCCCC(O)CCCCNc1n2
O=C(NCc1ccc(nc1)-n1cccn1)c1cnc2NCCOCCOCCOCCNc1n2
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1cccc(F)c1 |(-6.57,-1.46,;-5.24,-2.23,;-3.91,-1.46,;-3.91,.08,;-2.57,.85,;-1.24,.08,;.23,.56,;1.13,-.69,;.23,-1.94,;.62,-3.42,;2.11,-3.82,;2.51,-5.31,;4,-5.71,;5.09,-4.62,;6.57,-5.02,;4.69,-3.13,;3.2,-2.73,;-1.24,-1.46,;-2.57,-2.23,;.62,2.04,;2.11,2.44,;2.51,3.93,;1.42,5.02,;-.07,4.62,;-1.16,5.71,;-.46,3.13,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(F)cc1 |(-6.57,-1.86,;-5.24,-2.63,;-3.91,-1.86,;-3.91,-.32,;-2.57,.45,;-1.24,-.32,;.23,.16,;1.13,-1.09,;.23,-2.33,;.62,-3.82,;2.11,-4.22,;2.51,-5.71,;4,-6.11,;5.09,-5.02,;6.57,-5.42,;4.69,-3.53,;3.2,-3.13,;-1.24,-1.86,;-2.57,-2.63,;.62,1.64,;2.11,2.04,;2.51,3.53,;1.42,4.62,;1.82,6.11,;-.07,4.22,;-.46,2.73,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1F |(-6.57,-1.12,;-5.24,-1.89,;-3.91,-1.12,;-3.91,.42,;-2.57,1.19,;-1.24,.42,;.23,.9,;1.13,-.35,;.23,-1.59,;.62,-3.08,;2.11,-3.48,;2.51,-4.96,;4,-5.36,;5.09,-4.27,;6.57,-4.67,;4.69,-2.79,;3.2,-2.39,;-1.24,-1.12,;-2.57,-1.89,;.62,2.39,;2.11,2.79,;2.51,4.27,;1.42,5.36,;-.07,4.96,;-.46,3.48,;-1.95,3.08,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(Cl)cc1 |(-6.57,-1.86,;-5.24,-2.63,;-3.91,-1.86,;-3.91,-.32,;-2.57,.45,;-1.24,-.32,;.23,.16,;1.13,-1.09,;.23,-2.33,;.62,-3.82,;2.11,-4.22,;2.51,-5.71,;4,-6.11,;5.09,-5.02,;6.57,-5.42,;4.69,-3.53,;3.2,-3.13,;-1.24,-1.86,;-2.57,-2.63,;.62,1.64,;2.11,2.04,;2.51,3.53,;1.42,4.62,;1.82,6.11,;-.07,4.22,;-.46,2.73,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1cccc(CO)c1 |(-6.57,-1.46,;-5.24,-2.23,;-3.91,-1.46,;-3.91,.08,;-2.57,.85,;-1.24,.08,;.23,.56,;1.13,-.69,;.23,-1.94,;.62,-3.42,;2.11,-3.82,;2.51,-5.31,;4,-5.71,;5.09,-4.62,;6.57,-5.02,;4.69,-3.13,;3.2,-2.73,;-1.24,-1.46,;-2.57,-2.23,;.62,2.04,;2.11,2.44,;2.51,3.93,;1.42,5.02,;-.11,4.71,;-1.18,5.81,;-2.68,5.43,;-.46,3.13,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(OC)cc1 |(27.44,-11.39,;28.77,-12.16,;30.1,-11.4,;30.1,-9.85,;31.43,-9.08,;32.77,-9.84,;34.24,-9.36,;35.15,-10.62,;34.24,-11.87,;34.72,-13.34,;33.69,-14.48,;32.18,-14.15,;31.15,-15.29,;31.62,-16.76,;30.59,-17.9,;33.13,-17.08,;34.17,-15.94,;32.77,-11.4,;31.44,-12.17,;34.72,-7.9,;36.23,-7.58,;36.7,-6.12,;35.67,-4.98,;36.14,-3.51,;37.65,-3.19,;34.16,-5.3,;33.69,-6.77,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1CO |(-6.57,-1.12,;-5.24,-1.89,;-3.91,-1.12,;-3.91,.42,;-2.57,1.19,;-1.24,.42,;.23,.9,;1.13,-.35,;.23,-1.59,;.62,-3.08,;2.11,-3.48,;2.51,-4.96,;4,-5.36,;5.09,-4.27,;6.57,-4.67,;4.69,-2.79,;3.2,-2.39,;-1.24,-1.12,;-2.57,-1.89,;.62,2.39,;2.11,2.79,;2.51,4.27,;1.42,5.36,;-.07,4.96,;-.59,3.43,;-2.07,3.03,;-3.17,4.11,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)C(F)(F)F |(-9.78,-29,;-8.45,-29.77,;-7.11,-29.01,;-7.11,-27.46,;-5.78,-26.69,;-4.45,-27.45,;-2.97,-26.97,;-2.06,-28.23,;-2.97,-29.48,;-2.49,-30.95,;-3.52,-32.09,;-5.03,-31.76,;-6.06,-32.9,;-5.59,-34.37,;-6.63,-35.51,;-4.09,-34.69,;-3.05,-33.55,;-4.45,-29.01,;-5.78,-29.78,;-2.5,-25.51,;-.99,-25.19,;-.51,-23.73,;-1.54,-22.58,;-3.06,-22.91,;-3.53,-24.37,;-1.07,-21.12,;.44,-20.8,;-2.1,-19.98,;-.31,-19.78,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)C(=O)OC |(-6.57,-2.8,;-5.24,-3.57,;-3.91,-2.8,;-3.91,-1.26,;-2.57,-.49,;-1.24,-1.26,;.23,-.79,;1.13,-2.03,;.23,-3.28,;.62,-4.77,;2.11,-5.16,;2.51,-6.65,;4,-7.05,;5.09,-5.96,;6.57,-6.36,;4.69,-4.47,;3.2,-4.08,;-1.24,-2.8,;-2.57,-3.57,;.62,.7,;2.11,1.1,;2.51,2.59,;1.44,3.73,;-.07,3.28,;-.46,1.79,;1.83,5.22,;.74,6.31,;3.32,5.62,;3.72,7.1,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)C#N |(-6.57,-2.6,;-5.24,-3.37,;-3.91,-2.6,;-3.91,-1.06,;-2.57,-.29,;-1.24,-1.06,;.23,-.59,;1.13,-1.83,;.23,-3.08,;.62,-4.57,;2.11,-4.96,;2.51,-6.45,;4,-6.85,;5.09,-5.76,;6.57,-6.16,;4.69,-4.27,;3.2,-3.88,;-1.24,-2.6,;-2.57,-3.37,;.62,.9,;2.11,1.3,;2.51,2.79,;1.44,3.93,;-.07,3.48,;-.46,1.99,;1.83,5.42,;2.23,6.9,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)S(C)(=O)=O |(-6.57,-2.4,;-5.24,-3.17,;-3.91,-2.4,;-3.91,-.86,;-2.57,-.09,;-1.24,-.86,;.23,-.39,;1.13,-1.63,;.23,-2.88,;.62,-4.37,;2.11,-4.77,;2.51,-6.25,;4,-6.65,;5.09,-5.56,;6.57,-5.96,;4.69,-4.08,;3.2,-3.68,;-1.24,-2.4,;-2.57,-3.17,;.62,1.1,;2.11,1.5,;2.51,2.99,;1.42,4.08,;-.07,3.68,;-.46,2.19,;1.82,5.56,;.73,6.65,;3.31,5.96,;2.91,4.47,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(OCc2ccccc2)cc1 |(-6.57,-4.29,;-5.24,-5.06,;-3.91,-4.29,;-3.91,-2.75,;-2.57,-1.98,;-1.24,-2.75,;.23,-2.27,;1.13,-3.52,;.23,-4.77,;.62,-6.25,;2.11,-6.65,;2.51,-8.14,;4,-8.54,;5.09,-7.45,;6.57,-7.85,;4.69,-5.96,;3.2,-5.56,;-1.24,-4.29,;-2.57,-5.06,;.62,-.79,;2.11,-.39,;2.51,1.1,;1.42,2.19,;1.82,3.68,;3.31,4.08,;3.71,5.56,;5.19,5.96,;5.59,7.45,;4.5,8.54,;3.02,8.14,;2.62,6.65,;-.07,1.79,;-.46,.3,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc2OCOc2c1 |(-6.57,-1.8,;-5.24,-2.57,;-3.91,-1.8,;-3.91,-.26,;-2.57,.51,;-1.24,-.26,;.23,.21,;1.13,-1.03,;.23,-2.28,;.62,-3.76,;2.11,-4.16,;2.51,-5.65,;4,-6.05,;5.09,-4.96,;6.57,-5.36,;4.69,-3.47,;3.2,-3.07,;-1.24,-1.8,;-2.57,-2.57,;.62,1.7,;-.46,2.79,;-.07,4.28,;1.42,4.68,;2.12,6.05,;3.64,5.81,;3.88,4.29,;2.51,3.59,;2.11,2.1,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc2ccccc2c1 |(-6.57,-2.06,;-5.24,-2.83,;-3.91,-2.06,;-3.91,-.52,;-2.57,.25,;-1.24,-.52,;.23,-.04,;1.13,-1.29,;.23,-2.53,;.62,-4.02,;2.11,-4.42,;2.51,-5.91,;4,-6.31,;5.09,-5.22,;6.57,-5.62,;4.69,-3.73,;3.2,-3.33,;-1.24,-2.06,;-2.57,-2.83,;.62,1.45,;-.46,2.53,;-.07,4.02,;1.42,4.42,;1.82,5.91,;3.31,6.31,;4.4,5.22,;4,3.73,;2.51,3.33,;2.11,1.84,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc2cc[nH]c2c1 |(-6.57,-1.8,;-5.24,-2.57,;-3.91,-1.8,;-3.91,-.26,;-2.57,.51,;-1.24,-.26,;.23,.21,;1.13,-1.03,;.23,-2.28,;.62,-3.76,;2.11,-4.16,;2.51,-5.65,;4,-6.05,;5.09,-4.96,;6.57,-5.36,;4.69,-3.47,;3.2,-3.07,;-1.24,-1.8,;-2.57,-2.57,;.62,1.7,;-.46,2.79,;-.07,4.28,;1.42,4.68,;2.12,6.05,;3.64,5.81,;3.88,4.29,;2.51,3.59,;2.11,2.1,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc2oc3ccccc3c2c1 |(-6.57,-2.17,;-5.24,-2.94,;-3.91,-2.17,;-3.91,-.63,;-2.57,.14,;-1.24,-.63,;.23,-.15,;1.13,-1.4,;.23,-2.64,;.62,-4.13,;2.11,-4.53,;2.51,-6.01,;4,-6.41,;5.09,-5.32,;6.57,-5.72,;4.69,-3.84,;3.2,-3.44,;-1.24,-2.17,;-2.57,-2.94,;.62,1.34,;-.46,2.43,;-.07,3.91,;1.42,4.31,;2.12,5.69,;3.64,5.44,;4.84,6.41,;6.28,5.86,;6.52,4.34,;5.32,3.37,;3.88,3.92,;2.51,3.22,;2.11,1.74,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)-c1ccccc1 |(2.22,-28.77,;3.55,-29.54,;4.89,-28.77,;4.89,-27.22,;6.22,-26.45,;7.55,-27.22,;9.03,-26.74,;9.94,-27.99,;9.03,-29.25,;9.5,-30.71,;8.47,-31.86,;6.96,-31.52,;5.94,-32.66,;6.41,-34.13,;5.37,-35.27,;7.91,-34.45,;8.95,-33.31,;7.55,-28.77,;6.22,-29.54,;9.5,-25.27,;11.01,-24.96,;11.49,-23.49,;10.45,-22.35,;8.94,-22.68,;8.47,-24.14,;10.92,-20.89,;12.43,-20.57,;12.91,-19.11,;11.87,-17.96,;10.36,-18.29,;9.89,-19.75,)|
CCOc1ccc(cc1)-c1ccc(cc1)-c1nn(CC2CCC(N)CC2)c2nc(NC)ncc12 |(5.33,9.01,;4.56,7.67,;3.02,7.67,;2.62,6.18,;3.71,5.1,;3.31,3.61,;1.82,3.21,;.73,4.3,;1.13,5.79,;1.42,1.72,;2.51,.63,;2.11,-.86,;.62,-1.25,;-.46,-.16,;-.07,1.32,;.23,-2.74,;1.13,-3.99,;.23,-5.23,;.62,-6.72,;2.11,-7.12,;2.51,-8.61,;4,-9.01,;5.09,-7.92,;6.57,-8.31,;4.69,-6.43,;3.2,-6.03,;-1.24,-4.76,;-2.57,-5.53,;-3.91,-4.76,;-5.24,-5.53,;-6.57,-4.76,;-3.91,-3.22,;-2.57,-2.45,;-1.24,-3.22,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccco1 |(-6.57,-.74,;-5.24,-1.51,;-3.91,-.74,;-3.91,.8,;-2.57,1.57,;-1.24,.8,;.23,1.28,;1.13,.03,;.23,-1.21,;.62,-2.7,;2.11,-3.1,;2.51,-4.59,;4,-4.98,;5.09,-3.89,;6.57,-4.29,;4.69,-2.41,;3.2,-2.01,;-1.24,-.74,;-2.57,-1.51,;1,2.61,;2.54,2.61,;3.01,4.08,;1.77,4.98,;.52,4.08,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccoc1 |(-6.57,-.74,;-5.24,-1.51,;-3.91,-.74,;-3.91,.8,;-2.57,1.57,;-1.24,.8,;.23,1.28,;1.13,.03,;.23,-1.21,;.62,-2.7,;2.11,-3.1,;2.51,-4.59,;4,-4.98,;5.09,-3.89,;6.57,-4.29,;4.69,-2.41,;3.2,-2.01,;-1.24,-.74,;-2.57,-1.51,;1,2.61,;2.54,2.61,;3.01,4.08,;1.77,4.98,;.52,4.08,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1cccs1 |(-6.57,-.74,;-5.24,-1.51,;-3.91,-.74,;-3.91,.8,;-2.57,1.57,;-1.24,.8,;.23,1.28,;1.13,.03,;.23,-1.21,;.62,-2.7,;2.11,-3.1,;2.51,-4.59,;4,-4.98,;5.09,-3.89,;6.57,-4.29,;4.69,-2.41,;3.2,-2.01,;-1.24,-.74,;-2.57,-1.51,;1,2.61,;2.54,2.61,;3.01,4.08,;1.77,4.98,;.52,4.08,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccsc1 |(-6.57,-.74,;-5.24,-1.51,;-3.91,-.74,;-3.91,.8,;-2.57,1.57,;-1.24,.8,;.23,1.28,;1.13,.03,;.23,-1.21,;.62,-2.7,;2.11,-3.1,;2.51,-4.59,;4,-4.98,;5.09,-3.89,;6.57,-4.29,;4.69,-2.41,;3.2,-2.01,;-1.24,-.74,;-2.57,-1.51,;1,2.61,;2.54,2.61,;3.01,4.08,;1.77,4.98,;.52,4.08,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1cc2ccccc2s1 |(-6.57,-1.81,;-5.24,-2.58,;-3.91,-1.81,;-3.91,-.27,;-2.57,.5,;-1.24,-.27,;.23,.2,;1.13,-1.04,;.23,-2.29,;.62,-3.78,;2.11,-4.18,;2.51,-5.66,;4,-6.06,;5.09,-4.97,;6.57,-5.37,;4.69,-3.49,;3.2,-3.09,;-1.24,-1.81,;-2.57,-2.58,;1,1.53,;2.54,1.53,;3.01,3,;4.42,3.63,;4.58,5.16,;3.33,6.06,;1.93,5.44,;1.77,3.9,;.52,3,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1cnc[nH]1 |(-6.57,-.74,;-5.24,-1.51,;-3.91,-.74,;-3.91,.8,;-2.57,1.57,;-1.24,.8,;.23,1.28,;1.13,.03,;.23,-1.21,;.62,-2.7,;2.11,-3.1,;2.51,-4.59,;4,-4.98,;5.09,-3.89,;6.57,-4.29,;4.69,-2.41,;3.2,-2.01,;-1.24,-.74,;-2.57,-1.51,;1,2.61,;2.54,2.61,;3.01,4.08,;1.77,4.98,;.52,4.08,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1cncnc1 |(-6.57,-1.12,;-5.24,-1.89,;-3.91,-1.12,;-3.91,.42,;-2.57,1.19,;-1.24,.42,;.23,.9,;1.13,-.35,;.23,-1.59,;.62,-3.08,;2.11,-3.48,;2.51,-4.96,;4,-5.36,;5.09,-4.27,;6.57,-4.67,;4.69,-2.79,;3.2,-2.39,;-1.24,-1.12,;-2.57,-1.89,;.62,2.39,;2.11,2.79,;2.51,4.27,;1.42,5.36,;-.07,4.96,;-.46,3.48,)|
CNc1ncc2c(nn(CC3CC[C@H](N)CC3)c2n1)-c1cnc(N)nc1 |r,wU:13.13,(-6.57,-1.86,;-5.24,-2.63,;-3.91,-1.86,;-3.91,-.32,;-2.57,.45,;-1.24,-.32,;.23,.16,;1.13,-1.09,;.23,-2.33,;.62,-3.82,;2.11,-4.22,;2.51,-5.71,;4,-6.11,;5.09,-5.02,;6.57,-5.42,;4.69,-3.53,;3.2,-3.13,;-1.24,-1.86,;-2.57,-2.63,;.62,1.64,;2.11,2.04,;2.51,3.53,;1.42,4.62,;1.82,6.11,;-.07,4.22,;-.46,2.73,)|
CNc1ncc2c(nn(CC3CC[C@H](N)CC3)c2n1)-c1cnc(N)nc1 |r,wD:13.13,(-6.57,-1.86,;-5.24,-2.63,;-3.91,-1.86,;-3.91,-.32,;-2.57,.45,;-1.24,-.32,;.23,.16,;1.13,-1.09,;.23,-2.33,;.62,-3.82,;2.11,-4.22,;3.2,-3.13,;4.69,-3.53,;5.09,-5.02,;6.57,-5.42,;4,-6.11,;2.51,-5.71,;-1.24,-1.86,;-2.57,-2.63,;.62,1.64,;2.11,2.04,;2.51,3.53,;1.42,4.62,;1.82,6.11,;-.07,4.22,;-.46,2.73,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1cccnc1 |(14.16,-29.06,;15.49,-29.83,;16.83,-29.06,;16.83,-27.51,;18.16,-26.74,;19.49,-27.51,;20.97,-27.03,;21.88,-28.28,;20.97,-29.54,;21.44,-31,;20.41,-32.14,;18.91,-31.81,;17.88,-32.95,;18.35,-34.42,;17.31,-35.56,;19.85,-34.74,;20.89,-33.6,;19.49,-29.06,;18.16,-29.83,;21.44,-25.56,;20.41,-24.43,;20.88,-22.97,;22.39,-22.64,;23.42,-23.78,;22.95,-25.25,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(F)nc1 |(25.93,-29.7,;27.27,-30.47,;28.6,-29.7,;28.6,-28.15,;29.93,-27.38,;31.27,-28.15,;32.74,-27.67,;33.65,-28.92,;32.74,-30.18,;33.22,-31.64,;32.19,-32.79,;30.68,-32.45,;29.65,-33.59,;30.12,-35.06,;29.09,-36.2,;31.63,-35.38,;32.66,-34.24,;31.27,-29.7,;29.93,-30.47,;33.22,-26.2,;32.19,-25.07,;32.66,-23.61,;34.17,-23.28,;34.64,-21.81,;35.2,-24.43,;34.72,-25.89,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |(38.98,-28.18,;40.32,-28.95,;41.65,-28.18,;41.65,-26.64,;42.98,-25.87,;44.32,-26.63,;45.79,-26.15,;46.7,-27.41,;45.79,-28.66,;46.27,-30.13,;45.24,-31.27,;43.73,-30.94,;42.7,-32.08,;43.17,-33.54,;42.14,-34.69,;44.68,-33.87,;45.72,-32.73,;44.32,-28.18,;42.98,-28.95,;46.27,-24.69,;45.24,-23.55,;45.71,-22.09,;47.22,-21.76,;48.25,-22.91,;47.77,-24.37,;47.69,-20.3,;49.2,-19.98,;49.67,-18.53,;48.64,-17.38,;47.14,-17.7,;46.65,-19.17,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |(53.41,-28.01,;54.75,-28.78,;56.08,-28.01,;56.08,-26.46,;57.41,-25.69,;58.74,-26.46,;60.22,-25.98,;61.13,-27.23,;60.22,-28.49,;60.7,-29.95,;59.67,-31.09,;58.16,-30.76,;57.13,-31.9,;57.6,-33.37,;56.56,-34.51,;59.11,-33.69,;60.14,-32.55,;58.75,-28.01,;57.41,-28.78,;60.69,-24.51,;62.2,-24.2,;62.68,-22.74,;61.65,-21.59,;60.13,-21.92,;59.67,-23.38,;62.12,-20.13,;63.62,-19.81,;64.1,-18.35,;63.07,-17.2,;61.56,-17.52,;61.08,-18.99,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)N1CCOCC1 |(-6.57,-3.35,;-5.24,-4.12,;-3.91,-3.35,;-3.91,-1.81,;-2.57,-1.04,;-1.24,-1.81,;.23,-1.33,;1.13,-2.58,;.23,-3.82,;.62,-5.31,;2.11,-5.71,;2.51,-7.2,;4,-7.59,;5.09,-6.51,;6.57,-6.9,;4.69,-5.02,;3.2,-4.62,;-1.24,-3.35,;-2.57,-4.12,;.62,.16,;2.11,.56,;2.51,2.04,;1.42,3.13,;-.07,2.73,;-.46,1.25,;1.82,4.62,;3.31,5.02,;3.71,6.51,;2.62,7.59,;1.13,7.2,;.73,5.71,)|
CCCCNc1ncc2c(nn(CC3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1 |r,wD:16.16,(-8.57,-2.63,;-7.24,-1.86,;-5.91,-2.63,;-4.57,-1.86,;-3.24,-2.63,;-1.91,-1.86,;-1.91,-.32,;-.57,.45,;.76,-.32,;2.23,.16,;3.13,-1.09,;2.23,-2.33,;2.62,-3.82,;4.11,-4.22,;5.2,-3.13,;6.69,-3.53,;7.09,-5.02,;8.57,-5.42,;6,-6.11,;4.51,-5.71,;.76,-1.86,;-.57,-2.63,;2.62,1.64,;4.11,2.04,;4.51,3.53,;3.42,4.62,;3.82,6.11,;1.93,4.22,;1.54,2.73,)|
CCCCNc1ncc2c(nn(CC3CC[C@H](N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |r,wD:16.16,(-8.57,-4.12,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;5.2,-4.62,;6.69,-5.02,;7.09,-6.51,;8.57,-6.9,;6,-7.59,;4.51,-7.2,;.76,-3.35,;-.57,-4.12,;2.62,.16,;1.54,1.25,;1.93,2.73,;3.42,3.13,;4.51,2.04,;4.11,.56,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,)|
CCCCNc1ncc2c(nn(CC3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wD:16.16,(-8.57,-4.12,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;5.2,-4.62,;6.69,-5.02,;7.09,-6.51,;8.57,-6.9,;6,-7.59,;4.51,-7.2,;.76,-3.35,;-.57,-4.12,;2.62,.16,;4.11,.56,;4.51,2.04,;3.42,3.13,;1.93,2.73,;1.54,1.25,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,)|
CCCCNc1ncc2c(nn(CC3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCOCC1 |r,wD:16.16,(-8.57,-4.12,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;5.2,-4.62,;6.69,-5.02,;7.09,-6.51,;8.57,-6.9,;6,-7.59,;4.51,-7.2,;.76,-3.35,;-.57,-4.12,;2.62,.16,;4.11,.56,;4.51,2.04,;3.42,3.13,;1.93,2.73,;1.54,1.25,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,)|
CNc1ncc2c(Cc3ccccc3)nn(CC3CCC(N)CC3)c2n1 |(-6.57,-.77,;-5.24,-1.54,;-3.91,-.77,;-3.91,.77,;-2.57,1.54,;-1.24,.77,;.23,1.25,;.62,2.73,;2.11,3.13,;3.2,2.04,;4.69,2.44,;5.09,3.93,;4,5.02,;2.51,4.62,;1.13,,;.23,-1.25,;.62,-2.73,;2.11,-3.13,;2.51,-4.62,;4,-5.02,;5.09,-3.93,;6.57,-4.33,;4.69,-2.44,;3.2,-2.04,;-1.24,-.77,;-2.57,-1.54,)|
N[C@H]1CCC(Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wD:1.0,(9.91,-5.42,;8.42,-5.02,;8.02,-3.53,;6.53,-3.13,;5.45,-4.22,;3.96,-3.82,;3.56,-2.33,;4.46,-1.09,;3.56,.16,;3.96,1.64,;5.45,2.04,;5.84,3.53,;4.76,4.62,;5.15,6.11,;3.27,4.22,;2.87,2.73,;2.09,-.32,;.76,.45,;-.57,-.32,;-.57,-1.86,;-1.91,-2.63,;-3.24,-1.86,;-4.57,-2.63,;-5.91,-1.86,;-7.24,-2.63,;-8.57,-1.86,;-9.91,-2.63,;-9.91,-4.17,;-8.57,-4.94,;-7.24,-4.17,;.76,-2.63,;2.09,-1.86,;5.84,-5.71,;7.33,-6.11,)|
N[C@H]1CCC(Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wD:1.0,(9.91,-6.9,;8.42,-6.51,;8.02,-5.02,;6.53,-4.62,;5.45,-5.71,;3.96,-5.31,;3.56,-3.82,;4.46,-2.58,;3.56,-1.33,;3.96,.16,;2.87,1.25,;3.27,2.73,;4.76,3.13,;5.84,2.04,;5.45,.56,;5.15,4.62,;6.64,5.02,;7.04,6.51,;5.95,7.59,;4.46,7.2,;4.06,5.71,;2.09,-1.81,;.76,-1.04,;-.57,-1.81,;-.57,-3.35,;-1.91,-4.12,;-3.24,-3.35,;-4.57,-4.12,;-5.91,-3.35,;-7.24,-4.12,;-8.57,-3.35,;-9.91,-4.12,;-9.91,-5.66,;-8.57,-6.43,;-7.24,-5.66,;.76,-4.12,;2.09,-3.35,;5.84,-7.2,;7.33,-7.59,)|
N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(41.81,-28.1,;42.85,-26.96,;44.35,-27.28,;45.39,-26.14,;44.91,-24.68,;45.94,-23.54,;45.47,-22.07,;46.38,-20.82,;45.47,-19.56,;45.94,-18.1,;47.45,-17.78,;47.93,-16.32,;46.9,-15.17,;45.38,-15.5,;44.91,-16.96,;47.36,-13.71,;48.87,-13.39,;49.35,-11.94,;48.32,-10.79,;46.81,-11.11,;46.33,-12.57,;43.99,-20.04,;42.66,-19.28,;41.33,-20.05,;41.33,-21.6,;39.99,-22.36,;38.66,-21.59,;38.66,-20.05,;37.33,-19.28,;37.33,-17.74,;38.67,-16.98,;38.67,-15.44,;37.34,-14.67,;36,-15.45,;36,-16.98,;42.66,-22.37,;43.99,-21.6,;43.41,-24.35,;42.38,-25.49,)|
N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCOCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(9.91,-6.9,;8.42,-6.51,;8.02,-5.02,;6.53,-4.62,;5.45,-5.71,;3.96,-5.31,;3.56,-3.82,;4.46,-2.58,;3.56,-1.33,;3.96,.16,;5.45,.56,;5.84,2.04,;4.76,3.13,;3.27,2.73,;2.87,1.25,;5.15,4.62,;6.64,5.02,;7.04,6.51,;5.95,7.59,;4.46,7.2,;4.06,5.71,;2.09,-1.81,;.76,-1.04,;-.57,-1.81,;-.57,-3.35,;-1.91,-4.12,;-3.24,-3.35,;-4.57,-4.12,;-5.91,-3.35,;-7.24,-4.12,;-8.57,-3.35,;-9.91,-4.12,;-9.91,-5.66,;-8.57,-6.43,;-7.24,-5.66,;.76,-4.12,;2.09,-3.35,;5.84,-7.2,;7.33,-7.59,)|
CCCCNc1ncc2c(nn(C[C@@H]3CC[C@H](O)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |r,wU:13.12,16.16,(-8.57,-4.12,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;4.51,-7.2,;6,-7.59,;7.09,-6.51,;8.57,-6.9,;6.69,-5.02,;5.2,-4.62,;.76,-3.35,;-.57,-4.12,;2.62,.16,;1.54,1.25,;1.93,2.73,;3.42,3.13,;4.51,2.04,;4.11,.56,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,)|
CCCCNc1ncc2c(nn(C[C@@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,16.16,(-8.57,-4.12,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;4.51,-7.2,;6,-7.59,;7.09,-6.51,;8.57,-6.9,;6.69,-5.02,;5.2,-4.62,;.76,-3.35,;-.57,-4.12,;2.62,.16,;4.11,.56,;4.51,2.04,;3.42,3.13,;1.93,2.73,;1.54,1.25,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,)|
CCCCNc1ncc2c(nn(C[C@@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)N1CCOCC1 |r,wU:13.12,16.16,(-8.57,-4.12,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;4.51,-7.2,;6,-7.59,;7.09,-6.51,;8.57,-6.9,;6.69,-5.02,;5.2,-4.62,;.76,-3.35,;-.57,-4.12,;2.62,.16,;4.11,.56,;4.51,2.04,;3.42,3.13,;1.93,2.73,;1.54,1.25,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(F)cc1 |r,wU:13.12,wD:16.16,(-8.57,-2.63,;-7.24,-1.86,;-5.91,-2.63,;-4.57,-1.86,;-3.24,-2.63,;-1.91,-1.86,;-1.91,-.32,;-.57,.45,;.76,-.32,;2.23,.16,;3.13,-1.09,;2.23,-2.33,;2.62,-3.82,;4.11,-4.22,;5.2,-3.13,;6.69,-3.53,;7.09,-5.02,;8.57,-5.42,;6,-6.11,;4.51,-5.71,;.76,-1.86,;-.57,-2.63,;2.62,1.64,;4.11,2.04,;4.51,3.53,;3.42,4.62,;3.82,6.11,;1.93,4.22,;1.54,2.73,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(-8.57,-4.12,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;5.2,-4.62,;6.69,-5.02,;7.09,-6.51,;8.57,-6.9,;6,-7.59,;4.51,-7.2,;.76,-3.35,;-.57,-4.12,;2.62,.16,;4.11,.56,;4.51,2.04,;3.42,3.13,;1.93,2.73,;1.54,1.25,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,)|
CCCCNc1ncc2c(nn(CC3CCNCC3)c2n1)-c1ccc(F)cc1
CCCCNc1ncc2c(nn(CC3CCNCC3)c2n1)-c1ccc(nc1)N1CCNCC1
CCCCNc1ncc2c(nn(CC3CCNCC3)c2n1)-c1ccc(cc1)N1CCNCC1
O[C@H]1CC[C@@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,1.0,(9.91,-6.9,;8.42,-6.51,;7.33,-7.59,;5.84,-7.2,;5.45,-5.71,;3.96,-5.31,;3.56,-3.82,;4.46,-2.58,;3.56,-1.33,;3.96,.16,;2.87,1.25,;3.27,2.73,;4.76,3.13,;5.84,2.04,;5.45,.56,;5.15,4.62,;6.64,5.02,;7.04,6.51,;5.95,7.59,;4.46,7.2,;4.06,5.71,;2.09,-1.81,;.76,-1.04,;-.57,-1.81,;-.57,-3.35,;-1.91,-4.12,;-3.24,-3.35,;-4.57,-4.12,;-5.91,-3.35,;-7.24,-4.12,;-8.57,-3.35,;-9.91,-4.12,;-9.91,-5.66,;-8.57,-6.43,;-7.24,-5.66,;.76,-4.12,;2.09,-3.35,;6.53,-4.62,;8.02,-5.02,)|
O[C@H]1CC[C@@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,1.0,(9.91,-6.9,;8.42,-6.51,;7.33,-7.59,;5.84,-7.2,;5.45,-5.71,;3.96,-5.31,;3.56,-3.82,;4.46,-2.58,;3.56,-1.33,;3.96,.16,;5.45,.56,;5.84,2.04,;4.76,3.13,;3.27,2.73,;2.87,1.25,;5.15,4.62,;6.64,5.02,;7.04,6.51,;5.95,7.59,;4.46,7.2,;4.06,5.71,;2.09,-1.81,;.76,-1.04,;-.57,-1.81,;-.57,-3.35,;-1.91,-4.12,;-3.24,-3.35,;-4.57,-4.12,;-5.91,-3.35,;-7.24,-4.12,;-8.57,-3.35,;-9.91,-4.12,;-9.91,-5.66,;-8.57,-6.43,;-7.24,-5.66,;.76,-4.12,;2.09,-3.35,;6.53,-4.62,;8.02,-5.02,)|
O[C@H]1CC[C@@H](Cn2nc(-c3ccc(cc3)N3CCOCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,1.0,(9.91,-6.9,;8.42,-6.51,;7.33,-7.59,;5.84,-7.2,;5.45,-5.71,;3.96,-5.31,;3.56,-3.82,;4.46,-2.58,;3.56,-1.33,;3.96,.16,;5.45,.56,;5.84,2.04,;4.76,3.13,;3.27,2.73,;2.87,1.25,;5.15,4.62,;6.64,5.02,;7.04,6.51,;5.95,7.59,;4.46,7.2,;4.06,5.71,;2.09,-1.81,;.76,-1.04,;-.57,-1.81,;-.57,-3.35,;-1.91,-4.12,;-3.24,-3.35,;-4.57,-4.12,;-5.91,-3.35,;-7.24,-4.12,;-8.57,-3.35,;-9.91,-4.12,;-9.91,-5.66,;-8.57,-6.43,;-7.24,-5.66,;.76,-4.12,;2.09,-3.35,;6.53,-4.62,;8.02,-5.02,)|
O[C@H]1CCC(Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wD:1.0,(9.91,-5.42,;8.42,-5.02,;8.02,-3.53,;6.53,-3.13,;5.45,-4.22,;3.96,-3.82,;3.56,-2.33,;4.46,-1.09,;3.56,.16,;3.96,1.64,;5.45,2.04,;5.84,3.53,;4.76,4.62,;5.15,6.11,;3.27,4.22,;2.87,2.73,;2.09,-.32,;.76,.45,;-.57,-.32,;-.57,-1.86,;-1.91,-2.63,;-3.24,-1.86,;-4.57,-2.63,;-5.91,-1.86,;-7.24,-2.63,;-8.57,-1.86,;-9.91,-2.63,;-9.91,-4.17,;-8.57,-4.94,;-7.24,-4.17,;.76,-2.63,;2.09,-1.86,;5.84,-5.71,;7.33,-6.11,)|
O[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(9.91,-6.9,;8.42,-6.51,;8.02,-5.02,;6.53,-4.62,;5.45,-5.71,;3.96,-5.31,;3.56,-3.82,;4.46,-2.58,;3.56,-1.33,;3.96,.16,;5.45,.56,;5.84,2.04,;4.76,3.13,;3.27,2.73,;2.87,1.25,;5.15,4.62,;6.64,5.02,;7.04,6.51,;5.95,7.59,;4.46,7.2,;4.06,5.71,;2.09,-1.81,;.76,-1.04,;-.57,-1.81,;-.57,-3.35,;-1.91,-4.12,;-3.24,-3.35,;-4.57,-4.12,;-5.91,-3.35,;-7.24,-4.12,;-8.57,-3.35,;-9.91,-4.12,;-9.91,-5.66,;-8.57,-6.43,;-7.24,-5.66,;.76,-4.12,;2.09,-3.35,;5.84,-7.2,;7.33,-7.59,)|
O[C@H]1CCC(CC1)n1nc(-c2ccc(cc2)N2CCOCC2)c2cnc(NCCC(F)(F)F)nc12 |r,wU:1.0,(5.25,-8.68,;4.86,-7.2,;3.37,-6.8,;2.97,-5.31,;4.06,-4.22,;5.55,-4.62,;5.94,-6.11,;3.66,-2.73,;4.57,-1.49,;3.66,-.24,;4.06,1.25,;5.55,1.64,;5.94,3.13,;4.86,4.22,;3.37,3.82,;2.97,2.33,;5.25,5.71,;6.74,6.11,;7.14,7.59,;6.05,8.68,;4.56,8.29,;4.17,6.8,;2.2,-.72,;.86,.05,;-.47,-.72,;-.47,-2.26,;-1.81,-3.03,;-3.14,-2.26,;-4.47,-3.03,;-5.81,-2.26,;-7.14,-3.03,;-5.81,-.72,;-4.47,-1.49,;.86,-3.03,;2.2,-2.26,)|
O[C@H]1CCC(CC1)n1nc(-c2ccc(cc2)N2CCOCC2)c2cnc(NCCC(F)(F)F)nc12 |r,wD:1.0,(5.25,-8.68,;4.86,-7.2,;5.94,-6.11,;5.55,-4.62,;4.06,-4.22,;2.97,-5.31,;3.37,-6.8,;3.66,-2.73,;4.57,-1.49,;3.66,-.24,;4.06,1.25,;5.55,1.64,;5.94,3.13,;4.86,4.22,;3.37,3.82,;2.97,2.33,;5.25,5.71,;6.74,6.11,;7.14,7.59,;6.05,8.68,;4.56,8.29,;4.17,6.8,;2.2,-.72,;.86,.05,;-.47,-.72,;-.47,-2.26,;-1.81,-3.03,;-3.14,-2.26,;-4.47,-3.03,;-5.81,-2.26,;-7.14,-3.03,;-5.81,-.72,;-7.14,-1.49,;.86,-3.03,;2.2,-2.26,)|
O[C@H]1CCC(CC1)n1nc(-c2ccc(cc2)N2CCOCC2)c2cnc(NCC(F)(F)F)nc12 |r,wD:1.0,(4.59,-8.68,;4.19,-7.2,;5.28,-6.11,;4.88,-4.62,;3.39,-4.22,;2.3,-5.31,;2.7,-6.8,;2.99,-2.73,;3.9,-1.49,;2.99,-.24,;3.39,1.25,;4.88,1.64,;5.28,3.13,;4.19,4.22,;2.7,3.82,;2.3,2.33,;4.59,5.71,;6.08,6.11,;6.47,7.59,;5.38,8.68,;3.9,8.29,;3.5,6.8,;1.53,-.72,;.19,.05,;-1.14,-.72,;-1.14,-2.26,;-2.47,-3.03,;-3.81,-2.26,;-5.14,-3.03,;-5.14,-4.57,;-6.47,-3.8,;-6.47,-2.26,;.19,-3.03,;1.53,-2.26,)|
CCCCNc1ncc2c(nn(CC3CC[C@@H](CC3)NC(C)=O)c2n1)-c1ccc(F)cc1 |r,wD:16.19,(-9.91,-2.63,;-8.57,-1.86,;-7.24,-2.63,;-5.91,-1.86,;-4.57,-2.63,;-3.24,-1.86,;-3.24,-.32,;-1.91,.45,;-.57,-.32,;.89,.16,;1.8,-1.09,;.89,-2.33,;1.29,-3.82,;2.78,-4.22,;3.87,-3.13,;5.35,-3.53,;5.75,-5.02,;4.66,-6.11,;3.18,-5.71,;7.24,-5.42,;8.57,-4.65,;9.91,-5.42,;8.57,-3.11,;-.57,-1.86,;-1.91,-2.63,;1.29,1.64,;2.78,2.04,;3.18,3.53,;2.09,4.62,;2.49,6.11,;.6,4.22,;.2,2.73,)|
CCCCNc1ncc2c(nn(CC3CC[C@@H](CC3)NS(C)(=O)=O)c2n1)-c1ccc(F)cc1 |r,wD:16.19,(-9.52,-1.49,;-8.18,-.72,;-6.85,-1.49,;-5.52,-.72,;-4.18,-1.49,;-2.85,-.72,;-2.85,.82,;-1.52,1.59,;-.18,.82,;1.28,1.3,;2.19,.05,;1.28,-1.19,;1.68,-2.68,;3.17,-3.08,;4.26,-1.99,;5.75,-2.39,;6.2,-3.89,;5.05,-4.96,;3.57,-4.57,;7.68,-4.29,;8.08,-5.78,;9.57,-5.38,;8.48,-7.26,;6.6,-6.18,;-.18,-.72,;-1.52,-1.49,;1.68,2.79,;3.17,3.19,;3.57,4.67,;2.48,5.76,;2.88,7.25,;.99,5.36,;.59,3.88,)|
CCCCNc1ncc2c(nn(CC3CC[C@@H](CC3)NCCO)c2n1)-c1ccc(F)cc1 |r,wD:16.19,(-10.41,-2.63,;-9.07,-1.86,;-7.74,-2.63,;-6.41,-1.86,;-5.07,-2.63,;-3.74,-1.86,;-3.74,-.32,;-2.41,.45,;-1.07,-.32,;.39,.16,;1.3,-1.09,;.39,-2.33,;.79,-3.82,;2.28,-4.22,;3.37,-3.13,;4.86,-3.53,;5.25,-5.02,;4.17,-6.11,;2.68,-5.71,;6.74,-5.42,;7.83,-4.33,;9.32,-4.73,;10.41,-3.64,;-1.07,-1.86,;-2.41,-2.63,;.79,1.64,;2.28,2.04,;2.68,3.53,;1.59,4.62,;1.99,6.11,;.1,4.22,;-.3,2.73,)|
N[C@H]1CCC(Cn2nc(-c3ccc(cc3)N3CCOCC3)c3cnc(NCCCC(F)(F)F)nc23)CC1 |r,wD:1.0,(9.53,-5.71,;7.99,-5.71,;7.22,-4.37,;5.68,-4.37,;4.91,-5.71,;3.37,-5.71,;2.6,-4.37,;3.51,-3.13,;2.6,-1.88,;3,-.4,;4.49,0,;4.89,1.49,;3.8,2.58,;2.31,2.18,;1.91,.69,;4.2,4.07,;5.68,4.47,;6.08,5.95,;4.99,7.04,;3.51,6.64,;3.11,5.16,;1.14,-2.36,;-.2,-1.59,;-1.53,-2.36,;-1.53,-3.9,;-2.86,-4.67,;-4.2,-3.9,;-5.53,-4.67,;-6.86,-3.9,;-8.2,-4.67,;-9.53,-3.9,;-8.2,-6.21,;-9.53,-5.44,;-.2,-4.67,;1.14,-3.9,;5.68,-7.04,;7.22,-7.04,)|
N[C@H]1CCC(Cn2nc(-c3ccc(cc3)N3CCOCC3)c3cnc(NCCCc4ccc(F)cc4)nc23)CC1 |r,wD:1.0,(10.87,-5.71,;9.33,-5.71,;8.56,-4.38,;7.02,-4.38,;6.25,-5.71,;4.71,-5.71,;3.94,-4.38,;4.84,-3.13,;3.94,-1.88,;4.33,-.4,;5.82,0,;6.22,1.49,;5.13,2.58,;3.64,2.18,;3.25,.69,;5.53,4.07,;7.02,4.47,;7.42,5.95,;6.33,7.04,;4.84,6.64,;4.44,5.16,;2.47,-2.36,;1.14,-1.59,;-.2,-2.36,;-.2,-3.9,;-1.53,-4.67,;-2.86,-3.9,;-4.2,-4.67,;-5.53,-3.9,;-6.87,-4.67,;-8.2,-3.9,;-9.53,-4.67,;-9.53,-6.21,;-10.87,-6.98,;-8.2,-6.98,;-6.87,-6.21,;1.14,-4.67,;2.47,-3.9,;7.02,-7.04,;8.56,-7.04,)|
CNc1ncc2c(nn(CC3CC[C@H](N)CC3)c2n1)-c1ccccc1 |r,wU:13.13,(-6.57,-1.12,;-5.24,-1.89,;-3.91,-1.12,;-3.91,.42,;-2.57,1.19,;-1.24,.42,;.23,.9,;1.13,-.35,;.23,-1.59,;.62,-3.08,;2.11,-3.48,;2.51,-4.96,;4,-5.36,;5.09,-4.27,;6.57,-4.67,;4.69,-2.79,;3.2,-2.39,;-1.24,-1.12,;-2.57,-1.89,;.62,2.39,;2.11,2.79,;2.51,4.27,;1.42,5.36,;-.07,4.96,;-.46,3.48,)|
CNc1ncc2c(nn(CC3CCNCC3)c2n1)-c1ccccc1
CNc1ncc2c(nn(CC3CCCNC3)c2n1)-c1ccccc1
CNc1ncc2c(nn(CC3CCCN3)c2n1)-c1ccccc1
CNc1ncc2c(nn(CC3CCC(N)C3)c2n1)-c1ccccc1
CNc1ncc2c(nn(Cc3ccc(N)cc3)c2n1)-c1ccccc1
CNc1ncc2c(nn(Cc3cccc(N)c3)c2n1)-c1ccccc1
CNc1ncc2c(nn(Cc3ccc(CN)cc3)c2n1)-c1ccccc1
CN[C@H]1CCC(Cn2nc(-c3ccccc3)c3cnc(NC)nc23)CC1 |r,wU:2.1,(6.77,-5.76,;6.37,-4.27,;4.89,-3.88,;3.8,-4.96,;2.31,-4.57,;1.91,-3.08,;.42,-2.68,;.03,-1.19,;.93,.05,;.03,1.3,;.42,2.79,;1.91,3.19,;2.31,4.67,;1.22,5.76,;-.27,5.36,;-.66,3.88,;-1.44,.82,;-2.77,1.59,;-4.11,.82,;-4.11,-.72,;-5.44,-1.49,;-6.77,-.72,;-2.77,-1.49,;-1.44,-.72,;3,-1.99,;4.49,-2.39,)|
CN[C@H]1CCC(Cn2nc(-c3ccccc3)c3cnc(NC)nc23)CC1 |r,wD:2.1,(6.77,-5.76,;6.37,-4.27,;4.89,-3.88,;4.49,-2.39,;3,-1.99,;1.91,-3.08,;.42,-2.68,;.03,-1.19,;.93,.05,;.03,1.3,;.42,2.79,;1.91,3.19,;2.31,4.67,;1.22,5.76,;-.27,5.36,;-.66,3.88,;-1.44,.82,;-2.77,1.59,;-4.11,.82,;-4.11,-.72,;-5.44,-1.49,;-6.77,-.72,;-2.77,-1.49,;-1.44,-.72,;2.31,-4.57,;3.8,-4.96,)|
CNc1ncc2c(nn(CC3CC[C@@H](CC3)N(C)C)c2n1)-c1ccccc1 |r,wU:13.16,(-7.12,-.72,;-5.78,-1.49,;-4.45,-.72,;-4.45,.82,;-3.12,1.59,;-1.78,.82,;-.32,1.3,;.59,.05,;-.32,-1.19,;.08,-2.68,;1.57,-3.08,;1.97,-4.57,;3.45,-4.96,;4.54,-3.88,;4.14,-2.39,;2.66,-1.99,;6.03,-4.27,;7.12,-3.19,;6.43,-5.76,;-1.78,-.72,;-3.12,-1.49,;.08,2.79,;1.57,3.19,;1.97,4.67,;.88,5.76,;-.61,5.36,;-1.01,3.88,)|
CCCCNc1ncc2c(nn(CC3CC[C@H](O)CC3)c2n1)-c1ccc(F)cc1 |r,wU:16.16,(-8.57,-2.63,;-7.24,-1.86,;-5.91,-2.63,;-4.57,-1.86,;-3.24,-2.63,;-1.91,-1.86,;-1.91,-.32,;-.57,.45,;.76,-.32,;2.23,.16,;3.13,-1.09,;2.23,-2.33,;2.62,-3.82,;4.11,-4.22,;4.51,-5.71,;6,-6.11,;7.09,-5.02,;8.57,-5.42,;6.69,-3.53,;5.2,-3.13,;.76,-1.86,;-.57,-2.63,;2.62,1.64,;4.11,2.04,;4.51,3.53,;3.42,4.62,;3.82,6.11,;1.93,4.22,;1.54,2.73,)|
CNc1ncc2c(nn(CCOCCN)c2n1)-c1ccccc1
CNc1ncc2c(nn(CCCCCN)c2n1)-c1ccccc1
CNc1ncc2c(nn(CCCCN)c2n1)-c1ccccc1
CNc1ncc2c(nn(CCCCCCN)c2n1)-c1ccccc1
CNc1ncc2c(nn(CCC3CCNCC3)c2n1)-c1ccccc1
CN(C)c1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(-8.09,-43.51,;-6.76,-44.28,;-6.76,-45.82,;-5.42,-43.51,;-5.42,-41.97,;-4.09,-41.2,;-2.76,-41.96,;-1.28,-41.48,;-.37,-42.73,;-1.28,-43.99,;-.81,-45.45,;-1.84,-46.6,;-3.35,-46.27,;-4.37,-47.4,;-3.9,-48.87,;-4.94,-50.01,;-2.4,-49.19,;-1.36,-48.05,;-2.76,-43.51,;-4.09,-44.28,;-.81,-40.02,;.7,-39.7,;1.17,-38.24,;.14,-37.09,;-1.37,-37.42,;-1.84,-38.88,)|
CCCN(C)c1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(-7.91,-1.12,;-6.57,-1.89,;-5.24,-1.12,;-3.91,-1.89,;-3.91,-3.43,;-2.57,-1.12,;-2.57,.42,;-1.24,1.19,;.09,.42,;1.56,.9,;2.46,-.35,;1.56,-1.59,;1.96,-3.08,;3.45,-3.48,;3.84,-4.96,;5.33,-5.36,;6.42,-4.27,;7.91,-4.67,;6.02,-2.79,;4.53,-2.39,;.09,-1.12,;-1.24,-1.89,;1.96,2.39,;3.45,2.79,;3.84,4.27,;2.75,5.36,;1.27,4.96,;.87,3.48,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(nc23)N2CCCC2)CC1 |(7.09,-4.67,;5.6,-4.27,;4.52,-5.36,;3.03,-4.96,;2.63,-3.48,;1.14,-3.08,;.74,-1.59,;1.65,-.35,;.74,.9,;1.14,2.39,;2.63,2.79,;3.03,4.27,;1.94,5.36,;.45,4.96,;.05,3.48,;-.72,.42,;-2.05,1.19,;-3.39,.42,;-3.39,-1.12,;-2.05,-1.89,;-.72,-1.12,;-4.72,-1.89,;-6.19,-1.41,;-7.09,-2.66,;-6.19,-3.9,;-4.72,-3.43,;3.72,-2.39,;5.21,-2.79,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(nc23)N2CCOCC2)CC1 |(7.25,-4.67,;5.76,-4.27,;4.67,-5.36,;3.18,-4.96,;2.78,-3.48,;1.29,-3.08,;.9,-1.59,;1.8,-.35,;.9,.9,;1.29,2.39,;2.78,2.79,;3.18,4.27,;2.09,5.36,;.6,4.96,;.21,3.48,;-.57,.42,;-1.9,1.19,;-3.24,.42,;-3.24,-1.12,;-1.9,-1.89,;-.57,-1.12,;-4.57,-1.89,;-5.9,-1.12,;-7.25,-1.89,;-7.25,-3.44,;-5.9,-4.21,;-4.57,-3.43,;3.87,-2.39,;5.36,-2.79,)|
CC(C)Nc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(44.35,-41.95,;44.34,-43.49,;43.01,-44.26,;45.68,-44.26,;47.01,-43.49,;47.01,-41.95,;48.34,-41.17,;49.68,-41.94,;51.15,-41.46,;52.07,-42.71,;51.15,-43.97,;51.63,-45.43,;50.6,-46.58,;49.09,-46.25,;48.06,-47.38,;48.53,-48.85,;47.5,-49.99,;50.04,-49.18,;51.08,-48.03,;49.68,-43.49,;48.35,-44.26,;51.63,-39.99,;53.14,-39.68,;53.61,-38.22,;52.58,-37.07,;51.07,-37.4,;50.6,-38.86,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NC4CC4)nc23)CC1 |(7.32,-4.67,;5.83,-4.27,;4.74,-5.36,;3.25,-4.96,;2.86,-3.48,;1.37,-3.08,;.97,-1.59,;1.87,-.35,;.97,.9,;1.37,2.39,;2.86,2.79,;3.25,4.27,;2.16,5.36,;.68,4.96,;.28,3.48,;-.5,.42,;-1.83,1.19,;-3.16,.42,;-3.16,-1.12,;-4.5,-1.89,;-5.83,-1.12,;-6.92,-.03,;-7.32,-1.51,;-1.83,-1.89,;-.5,-1.12,;3.94,-2.39,;5.43,-2.79,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NC4CCC4)nc23)CC1 |(61.71,-49.99,;62.75,-48.84,;62.28,-47.38,;63.31,-46.24,;64.82,-46.57,;65.85,-45.43,;65.37,-43.96,;66.28,-42.71,;65.37,-41.45,;65.85,-39.99,;67.35,-39.67,;67.83,-38.21,;66.8,-37.06,;65.29,-37.39,;64.82,-38.85,;63.9,-41.93,;62.56,-41.17,;61.23,-41.94,;61.23,-43.48,;59.9,-44.25,;58.56,-43.48,;58.17,-41.99,;56.68,-42.39,;57.08,-43.88,;62.56,-44.25,;63.9,-43.48,;65.3,-48.02,;64.26,-49.17,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NC4CCCC4)nc23)CC1 |(7.82,-4.67,;6.33,-4.27,;5.24,-5.36,;3.76,-4.96,;3.36,-3.48,;1.87,-3.08,;1.47,-1.59,;2.38,-.35,;1.47,.9,;1.87,2.39,;3.36,2.79,;3.76,4.27,;2.67,5.36,;1.18,4.96,;.78,3.48,;.01,.42,;-1.33,1.19,;-2.66,.42,;-2.66,-1.12,;-3.99,-1.89,;-5.33,-1.12,;-5.8,.35,;-7.34,.35,;-7.82,-1.12,;-6.57,-2.02,;-1.33,-1.89,;.01,-1.12,;4.45,-2.39,;5.93,-2.79,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NC4CCCCC4)nc23)CC1 |(7.91,-4.67,;6.42,-4.27,;5.33,-5.36,;3.84,-4.96,;3.45,-3.48,;1.96,-3.08,;1.56,-1.59,;2.46,-.35,;1.56,.9,;1.96,2.39,;3.45,2.79,;3.84,4.27,;2.75,5.36,;1.27,4.96,;.87,3.48,;.09,.42,;-1.24,1.19,;-2.57,.42,;-2.57,-1.12,;-3.91,-1.89,;-5.24,-1.12,;-5.24,.42,;-6.57,1.19,;-7.91,.42,;-7.91,-1.12,;-6.57,-1.89,;-1.24,-1.89,;.09,-1.12,;4.53,-2.39,;6.02,-2.79,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCN4CCOCC4)nc23)CC1 |(9.24,-4.67,;7.75,-4.27,;6.66,-5.36,;5.18,-4.96,;4.78,-3.48,;3.29,-3.08,;2.89,-1.59,;3.8,-.35,;2.89,.9,;3.29,2.39,;4.78,2.79,;5.18,4.27,;4.09,5.36,;2.6,4.96,;2.2,3.48,;1.43,.42,;.09,1.19,;-1.24,.42,;-1.24,-1.12,;-2.57,-1.89,;-3.91,-1.12,;-5.24,-1.89,;-6.57,-1.12,;-6.57,.42,;-7.91,1.19,;-9.24,.42,;-9.24,-1.12,;-7.91,-1.89,;.09,-1.89,;1.43,-1.12,;5.87,-2.39,;7.36,-2.79,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCCN4CCOCC4)nc23)CC1 |(7.25,-7.22,;8.28,-6.07,;7.81,-4.61,;8.84,-3.47,;10.35,-3.8,;11.38,-2.66,;10.9,-1.19,;11.82,.06,;10.9,1.32,;11.38,2.78,;12.89,3.1,;13.36,4.56,;12.33,5.71,;10.82,5.38,;10.35,3.92,;9.43,.84,;8.09,1.6,;6.76,.83,;6.76,-.71,;5.43,-1.48,;4.09,-.71,;4.1,.83,;2.76,1.6,;2.76,3.14,;4.11,3.91,;4.11,5.44,;2.78,6.22,;1.45,5.45,;1.44,3.91,;8.1,-1.48,;9.43,-.71,;10.83,-5.25,;9.79,-6.4,)|
CNc1ncc2c(nn(CC3CC[C@H](O)CC3)c2n1)-c1ccccc1 |r,wU:13.13,(-6.57,-1.12,;-5.24,-1.89,;-3.91,-1.12,;-3.91,.42,;-2.57,1.19,;-1.24,.42,;.23,.9,;1.13,-.35,;.23,-1.59,;.62,-3.08,;2.11,-3.48,;2.51,-4.96,;4,-5.36,;5.09,-4.27,;6.57,-4.67,;4.69,-2.79,;3.2,-2.39,;-1.24,-1.12,;-2.57,-1.89,;.62,2.39,;2.11,2.79,;2.51,4.27,;1.42,5.36,;-.07,4.96,;-.46,3.48,)|
CNc1ncc2c(nn(CC3CC[C@H](O)CC3)c2n1)-c1ccccc1 |r,wD:13.13,(-6.57,-1.12,;-5.24,-1.89,;-3.91,-1.12,;-3.91,.42,;-2.57,1.19,;-1.24,.42,;.23,.9,;1.13,-.35,;.23,-1.59,;.62,-3.08,;2.11,-3.48,;3.2,-2.39,;4.69,-2.79,;5.09,-4.27,;6.57,-4.67,;4,-5.36,;2.51,-4.96,;-1.24,-1.12,;-2.57,-1.89,;.62,2.39,;2.11,2.79,;2.51,4.27,;1.42,5.36,;-.07,4.96,;-.46,3.48,)|
CCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(4.32,-43.39,;5.65,-44.16,;5.65,-45.7,;6.98,-46.48,;8.32,-45.71,;8.32,-44.16,;9.65,-43.39,;10.98,-44.16,;12.46,-43.68,;13.37,-44.93,;12.46,-46.19,;12.94,-47.65,;11.91,-48.79,;10.4,-48.46,;9.37,-49.6,;9.84,-51.07,;8.8,-52.21,;11.34,-51.39,;12.38,-50.25,;10.98,-45.71,;9.65,-46.48,;12.93,-42.21,;14.44,-41.89,;14.92,-40.43,;13.89,-39.29,;12.37,-39.61,;11.91,-41.08,)|
CCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(18.02,-41.5,;18.01,-43.04,;19.35,-43.81,;19.35,-45.35,;20.68,-46.13,;22.01,-45.36,;22.02,-43.81,;23.35,-43.04,;24.68,-43.81,;26.16,-43.33,;27.07,-44.58,;26.16,-45.84,;26.63,-47.3,;25.6,-48.44,;24.09,-48.11,;23.06,-49.25,;23.53,-50.72,;22.5,-51.86,;25.04,-51.04,;26.08,-49.9,;24.68,-45.36,;23.35,-46.13,;26.63,-41.86,;28.14,-41.54,;28.62,-40.08,;27.58,-38.94,;26.07,-39.26,;25.6,-40.73,)|
CCCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(28.3,-45.79,;29.63,-46.56,;30.97,-45.8,;32.3,-46.57,;33.63,-45.8,;34.97,-46.57,;36.3,-45.8,;36.3,-44.26,;37.63,-43.48,;38.97,-44.25,;40.44,-43.77,;41.36,-45.02,;40.44,-46.28,;40.92,-47.74,;39.89,-48.89,;38.38,-48.56,;37.35,-49.69,;37.82,-51.16,;36.79,-52.3,;39.33,-51.49,;40.37,-50.34,;38.97,-45.8,;37.64,-46.57,;40.92,-42.3,;42.43,-41.99,;42.9,-40.53,;41.87,-39.38,;40.36,-39.71,;39.89,-41.17,)|
CCCCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(-9.91,-1.89,;-8.57,-1.12,;-7.24,-1.89,;-5.91,-1.12,;-4.57,-1.89,;-3.24,-1.12,;-1.91,-1.89,;-.57,-1.12,;-.57,.42,;.76,1.19,;2.09,.42,;3.56,.9,;4.46,-.35,;3.56,-1.59,;3.96,-3.08,;5.45,-3.48,;5.84,-4.96,;7.33,-5.36,;8.42,-4.27,;9.91,-4.67,;8.02,-2.79,;6.53,-2.39,;2.09,-1.12,;.76,-1.89,;3.96,2.39,;5.45,2.79,;5.84,4.27,;4.76,5.36,;3.27,4.96,;2.87,3.48,)|
CCCCCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(-10.58,-1.12,;-9.24,-1.89,;-7.91,-1.12,;-6.57,-1.89,;-5.24,-1.12,;-3.91,-1.89,;-2.57,-1.12,;-1.24,-1.89,;.09,-1.12,;.09,.42,;1.43,1.19,;2.76,.42,;4.23,.9,;5.13,-.35,;4.23,-1.59,;4.63,-3.08,;6.11,-3.48,;6.51,-4.96,;8,-5.36,;9.09,-4.27,;10.58,-4.67,;8.69,-2.79,;7.2,-2.39,;2.76,-1.12,;1.43,-1.89,;4.63,2.39,;6.11,2.79,;6.51,4.27,;5.42,5.36,;3.93,4.96,;3.54,3.48,)|
COCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(-9.24,-1.12,;-7.91,-1.89,;-6.57,-1.12,;-5.24,-1.89,;-3.91,-1.12,;-2.57,-1.89,;-1.24,-1.12,;-1.24,.42,;.09,1.19,;1.43,.42,;2.89,.9,;3.8,-.35,;2.89,-1.59,;3.29,-3.08,;4.78,-3.48,;5.18,-4.96,;6.66,-5.36,;7.75,-4.27,;9.24,-4.67,;7.36,-2.79,;5.87,-2.39,;1.43,-1.12,;.09,-1.89,;3.29,2.39,;4.78,2.79,;5.18,4.27,;4.09,5.36,;2.6,4.96,;2.2,3.48,)|
CCOCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(-9.24,-1.12,;-7.91,-1.89,;-6.57,-1.12,;-5.24,-1.89,;-3.91,-1.12,;-2.57,-1.89,;-1.24,-1.12,;-1.24,.42,;.09,1.19,;1.43,.42,;2.89,.9,;3.8,-.35,;2.89,-1.59,;3.29,-3.08,;4.78,-3.48,;5.18,-4.96,;6.66,-5.36,;7.75,-4.27,;9.24,-4.67,;7.36,-2.79,;5.87,-2.39,;1.43,-1.12,;.09,-1.89,;3.29,2.39,;4.78,2.79,;5.18,4.27,;4.09,5.36,;2.6,4.96,;2.2,3.48,)|
COCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(-9.77,3.44,;-9.77,1.9,;-8.43,1.13,;-8.44,-.41,;-7.1,-1.19,;-5.77,-.42,;-5.77,1.13,;-4.44,1.9,;-3.1,1.13,;-1.63,1.61,;-.71,.36,;-1.63,-.9,;-1.15,-2.36,;-2.18,-3.5,;-3.69,-3.17,;-4.72,-4.31,;-4.25,-5.78,;-5.28,-6.92,;-2.74,-6.1,;-1.7,-4.96,;-3.1,-.42,;-4.43,-1.19,;-1.15,3.08,;.36,3.4,;.83,4.86,;-.2,6,;-1.71,5.68,;-2.18,4.21,)|
CN(C)CCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(-9.91,-1.89,;-8.57,-1.12,;-8.57,.42,;-7.24,-1.89,;-5.91,-1.12,;-4.57,-1.89,;-3.24,-1.12,;-1.91,-1.89,;-.57,-1.12,;-.57,.42,;.76,1.19,;2.09,.42,;3.56,.9,;4.46,-.35,;3.56,-1.59,;3.96,-3.08,;5.45,-3.48,;5.84,-4.96,;7.33,-5.36,;8.42,-4.27,;9.91,-4.67,;8.02,-2.79,;6.53,-2.39,;2.09,-1.12,;.76,-1.89,;3.96,2.39,;5.45,2.79,;5.84,4.27,;4.76,5.36,;3.27,4.96,;2.87,3.48,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |(60.57,-5.96,;61.61,-4.81,;61.14,-3.35,;62.17,-2.21,;63.67,-2.54,;64.7,-1.4,;64.23,.07,;65.14,1.32,;64.23,2.58,;64.7,4.04,;66.21,4.36,;66.69,5.82,;65.66,6.97,;64.14,6.64,;63.67,5.18,;62.75,2.1,;61.42,2.86,;60.09,2.09,;60.09,.55,;58.75,-.22,;57.42,.55,;57.42,2.09,;56.09,2.86,;56.09,4.4,;57.43,5.17,;57.44,6.71,;56.1,7.48,;54.76,6.7,;54.77,5.17,;61.42,-.22,;62.75,.55,;64.15,-3.99,;63.11,-5.14,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCc4ccccc4)nc23)CC1 |(46.58,-5.67,;47.62,-4.53,;47.15,-3.06,;48.18,-1.92,;49.69,-2.25,;50.72,-1.11,;50.24,.36,;51.15,1.61,;50.24,2.87,;50.71,4.33,;52.22,4.65,;52.7,6.11,;51.67,7.26,;50.15,6.93,;49.69,5.47,;48.76,2.39,;47.43,3.15,;46.1,2.38,;46.1,.84,;44.76,.07,;43.43,.84,;43.43,2.38,;42.1,3.15,;42.11,4.69,;40.78,5.46,;39.44,4.69,;39.44,3.14,;40.78,2.38,;47.43,.06,;48.76,.84,;50.16,-3.71,;49.13,-4.85,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4ccccc4)nc23)CC1 |(19.2,-7.89,;20.24,-6.75,;19.77,-5.28,;20.8,-4.15,;22.3,-4.48,;23.33,-3.33,;22.86,-1.87,;23.77,-.61,;22.86,.64,;23.33,2.11,;24.84,2.42,;25.32,3.89,;24.29,5.03,;22.77,4.7,;22.3,3.24,;21.38,.16,;20.05,.93,;18.72,.16,;18.72,-1.39,;17.38,-2.16,;16.05,-1.39,;16.05,.15,;17.39,.91,;17.39,2.45,;16.06,3.22,;14.72,2.45,;14.72,.91,;20.05,-2.16,;21.38,-1.39,;22.78,-5.93,;21.74,-7.08,)|
COc1ccc(CNc2ncc3c(nn(CC4CCC(N)CC4)c3n2)-c2ccccc2)cc1 |(30.43,6.19,;29.1,5.42,;29.1,3.88,;30.43,3.11,;30.43,1.57,;29.09,.81,;29.09,-.73,;30.43,-1.5,;31.76,-.74,;31.76,.81,;33.09,1.58,;34.43,.82,;35.9,1.3,;36.81,.04,;35.9,-1.21,;36.38,-2.68,;35.35,-3.82,;33.84,-3.49,;32.81,-4.63,;33.28,-6.1,;32.24,-7.24,;34.79,-6.42,;35.83,-5.28,;34.43,-.74,;33.09,-1.51,;36.38,2.76,;37.88,3.08,;38.36,4.54,;37.33,5.69,;35.82,5.36,;35.35,3.9,;27.77,1.57,;27.76,3.1,)|
Cc1ccc(CNc2ncc3c(nn(CC4CCC(N)CC4)c3n2)-c2ccccc2)cc1 |(-9.24,-4.2,;-7.91,-3.43,;-7.91,-1.89,;-6.57,-1.12,;-5.24,-1.89,;-3.91,-1.12,;-2.57,-1.89,;-1.24,-1.12,;-1.24,.42,;.09,1.19,;1.43,.42,;2.89,.9,;3.8,-.35,;2.89,-1.59,;3.29,-3.08,;4.78,-3.48,;5.18,-4.96,;6.66,-5.36,;7.75,-4.27,;9.24,-4.67,;7.36,-2.79,;5.87,-2.39,;1.43,-1.12,;.09,-1.89,;3.29,2.39,;4.78,2.79,;5.18,4.27,;4.09,5.36,;2.6,4.96,;2.2,3.48,;-5.24,-3.43,;-6.57,-4.2,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4ccc(cc4)-c4ccccc4)nc23)CC1 |(10.58,-4.1,;9.09,-3.7,;8,-4.79,;6.51,-4.39,;6.11,-2.91,;4.63,-2.51,;4.23,-1.02,;5.13,.23,;4.23,1.47,;4.63,2.96,;6.11,3.36,;6.51,4.85,;5.42,5.93,;3.93,5.54,;3.54,4.05,;2.76,1,;1.43,1.77,;.09,1,;.09,-.54,;-1.24,-1.31,;-2.57,-.54,;-3.91,-1.31,;-5.24,-.54,;-6.57,-1.31,;-6.57,-2.85,;-5.24,-3.62,;-3.91,-2.85,;-7.91,-3.62,;-9.24,-2.85,;-10.58,-3.62,;-10.58,-5.16,;-9.24,-5.93,;-7.91,-5.16,;1.43,-1.31,;2.76,-.54,;7.2,-1.82,;8.69,-2.22,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4ccc(cc4)C(F)(F)F)nc23)CC1 |(9.24,-4.67,;7.75,-4.27,;6.66,-5.36,;5.18,-4.96,;4.78,-3.48,;3.29,-3.08,;2.89,-1.59,;3.8,-.35,;2.89,.9,;3.29,2.39,;4.78,2.79,;5.18,4.27,;4.09,5.36,;2.6,4.96,;2.2,3.48,;1.43,.42,;.09,1.19,;-1.24,.42,;-1.24,-1.12,;-2.57,-1.89,;-3.91,-1.12,;-5.24,-1.89,;-6.57,-1.12,;-7.91,-1.89,;-7.91,-3.43,;-6.57,-4.2,;-5.24,-3.43,;-9.24,-4.2,;-10.57,-3.43,;-9.24,-5.73,;-10.57,-4.97,;.09,-1.89,;1.43,-1.12,;5.87,-2.39,;7.36,-2.79,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4ccc(F)cc4)nc23)CC1 |(9.24,-4.67,;7.75,-4.27,;6.66,-5.36,;5.18,-4.96,;4.78,-3.48,;3.29,-3.08,;2.89,-1.59,;3.8,-.35,;2.89,.9,;3.29,2.39,;4.78,2.79,;5.18,4.27,;4.09,5.36,;2.6,4.96,;2.2,3.48,;1.43,.42,;.09,1.19,;-1.24,.42,;-1.24,-1.12,;-2.57,-1.89,;-3.91,-1.12,;-5.24,-1.89,;-6.57,-1.12,;-7.91,-1.89,;-7.91,-3.43,;-9.24,-4.2,;-6.57,-4.2,;-5.24,-3.43,;.09,-1.89,;1.43,-1.12,;5.87,-2.39,;7.36,-2.79,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4ccc(cc4)C#N)nc23)CC1 |(9.91,-4.67,;8.42,-4.27,;7.33,-5.36,;5.84,-4.96,;5.45,-3.48,;3.96,-3.08,;3.56,-1.59,;4.46,-.35,;3.56,.9,;3.96,2.39,;5.45,2.79,;5.84,4.27,;4.76,5.36,;3.27,4.96,;2.87,3.48,;2.09,.42,;.76,1.19,;-.57,.42,;-.57,-1.12,;-1.91,-1.89,;-3.24,-1.12,;-4.57,-1.89,;-5.91,-1.12,;-7.24,-1.89,;-7.29,-3.45,;-5.91,-4.2,;-4.57,-3.43,;-8.62,-4.22,;-9.96,-4.99,;.76,-1.89,;2.09,-1.12,;6.53,-2.39,;8.02,-2.79,)|
Cc1ccc(CNc2ncc3c(nn(CC4CCC(N)CC4)c3n2)-c2ccccc2)cc1 |(-9.29,-3.95,;-7.96,-3.18,;-7.91,-1.61,;-6.57,-.84,;-5.24,-1.61,;-3.91,-.84,;-2.57,-1.61,;-1.24,-.84,;-1.24,.7,;.09,1.47,;1.43,.7,;2.89,1.18,;3.8,-.07,;2.89,-1.32,;3.29,-2.8,;4.78,-3.2,;5.18,-4.69,;6.66,-5.09,;7.75,-4,;9.24,-4.4,;7.36,-2.51,;5.87,-2.11,;1.43,-.84,;.09,-1.61,;3.29,2.66,;4.78,3.06,;5.18,4.55,;4.09,5.64,;2.6,5.24,;2.2,3.75,;-5.24,-3.15,;-6.57,-3.92,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4cccs4)nc23)CC1 |(8.49,-4.67,;7,-4.27,;5.91,-5.36,;4.42,-4.96,;4.02,-3.48,;2.54,-3.08,;2.14,-1.59,;3.04,-.35,;2.14,.9,;2.54,2.39,;4.02,2.79,;4.42,4.27,;3.33,5.36,;1.85,4.96,;1.45,3.48,;.67,.42,;-.66,1.19,;-1.99,.42,;-1.99,-1.12,;-3.33,-1.89,;-4.66,-1.12,;-5.99,-1.89,;-6.47,-3.35,;-8.01,-3.35,;-8.49,-1.89,;-7.24,-.98,;-.66,-1.89,;.67,-1.12,;5.11,-2.39,;6.6,-2.79,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4ccco4)nc23)CC1 |(8.49,-4.67,;7,-4.27,;5.91,-5.36,;4.42,-4.96,;4.02,-3.48,;2.54,-3.08,;2.14,-1.59,;3.04,-.35,;2.14,.9,;2.54,2.39,;4.02,2.79,;4.42,4.27,;3.33,5.36,;1.85,4.96,;1.45,3.48,;.67,.42,;-.66,1.19,;-1.99,.42,;-1.99,-1.12,;-3.33,-1.89,;-4.66,-1.12,;-5.99,-1.89,;-6.47,-3.35,;-8.01,-3.35,;-8.49,-1.89,;-7.24,-.98,;-.66,-1.89,;.67,-1.12,;5.11,-2.39,;6.6,-2.79,)|
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4cccnc4)nc23)CC1 |(8.57,-4.67,;7.09,-4.27,;6,-5.36,;4.51,-4.96,;4.11,-3.48,;2.62,-3.08,;2.23,-1.59,;3.13,-.35,;2.23,.9,;2.62,2.39,;4.11,2.79,;4.51,4.27,;3.42,5.36,;1.93,4.96,;1.54,3.48,;.76,.42,;-.57,1.19,;-1.91,.42,;-1.91,-1.12,;-3.24,-1.89,;-4.57,-1.12,;-5.91,-1.89,;-7.24,-1.12,;-8.57,-1.89,;-8.57,-3.43,;-7.24,-4.2,;-5.91,-3.43,;-.57,-1.89,;.76,-1.12,;5.2,-2.39,;6.69,-2.79,)|
CNc1ncc2c(nn(CC3CC[C@H](O)CC3)c2n1)C(C)=C |r,wU:13.13,(-6.57,-.17,;-5.24,-.94,;-3.91,-.17,;-3.91,1.37,;-2.57,2.14,;-1.24,1.37,;.23,1.84,;1.13,.6,;.23,-.65,;.62,-2.14,;2.11,-2.53,;2.51,-4.02,;4,-4.42,;5.09,-3.33,;6.57,-3.73,;4.69,-1.84,;3.2,-1.45,;-1.24,-.17,;-2.57,-.94,;.62,3.33,;-.46,4.42,;2.11,3.73,)|
CNc1ncc2c(nn(CC3CC[C@H](O)CC3)c2n1)C(C)=C |r,wD:13.13,(-6.57,-.17,;-5.24,-.94,;-3.91,-.17,;-3.91,1.37,;-2.57,2.14,;-1.24,1.37,;.23,1.84,;1.13,.6,;.23,-.65,;.62,-2.14,;2.11,-2.53,;3.2,-1.45,;4.69,-1.84,;5.09,-3.33,;6.57,-3.73,;4,-4.42,;2.51,-4.02,;-1.24,-.17,;-2.57,-.94,;.62,3.33,;-.46,4.42,;2.11,3.73,)|
CNc1ncc2c(nn(CC3CC[C@H](O)CC3)c2n1)C(C)C |r,wU:13.13,(-6.57,-.17,;-5.24,-.94,;-3.91,-.17,;-3.91,1.37,;-2.57,2.14,;-1.24,1.37,;.23,1.84,;1.13,.6,;.23,-.65,;.62,-2.14,;2.11,-2.53,;2.51,-4.02,;4,-4.42,;5.09,-3.33,;6.57,-3.73,;4.69,-1.84,;3.2,-1.45,;-1.24,-.17,;-2.57,-.94,;.62,3.33,;2.11,3.73,;-.46,4.42,)|
CNc1ncc2c(nn(CC3CC[C@H](O)CC3)c2n1)C(C)C |r,wD:13.13,(-6.57,-.17,;-5.24,-.94,;-3.91,-.17,;-3.91,1.37,;-2.57,2.14,;-1.24,1.37,;.23,1.84,;1.13,.6,;.23,-.65,;.62,-2.14,;2.11,-2.53,;3.2,-1.45,;4.69,-1.84,;5.09,-3.33,;6.57,-3.73,;4,-4.42,;2.51,-4.02,;-1.24,-.17,;-2.57,-.94,;.62,3.33,;2.11,3.73,;-.46,4.42,)|
CNc1ncc2c(nn(CC3CCCNC3)c2n1)C(C)=C
CNc1ncc2c(nn(CC3CCCNC3)c2n1)C(C)C
CNc1ncc2c(nn(CC3CCCN3)c2n1)C(C)=C
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)C(C)C |(-6.57,-.17,;-5.24,-.94,;-3.91,-.17,;-3.91,1.37,;-2.57,2.14,;-1.24,1.37,;.23,1.84,;1.13,.6,;.23,-.65,;.62,-2.14,;2.11,-2.53,;2.51,-4.02,;4,-4.42,;5.09,-3.33,;6.57,-3.73,;4.69,-1.84,;3.2,-1.45,;-1.24,-.17,;-2.57,-.94,;.62,3.33,;2.11,3.73,;-.46,4.42,)|
CNc1ncc2c(nn(CC3CCNCC3)c2n1)C(C)C
CC(C)n1nc(-c2ccccc2)c2cnc(Nc3ccccc3)nc12
CCCNc1ncc2c(nn(C3CCCCC3)c2n1)-c1ccc(cc1)C(=O)OC
CCCNc1ncc2c(nn(C3CCCCC3)c2n1)-c1ccc(cc1)C(O)=O
CCCNc1ncc2c(nn(C3CCCCC3)c2n1)-c1ccoc1
CCCNc1ncc2c(nn(C(C)C)c2n1)-c1cccnc1
CCCNc1ncc2c(nn(CC3CCN(CC3)C(=O)OC(C)(C)C)c2n1)-c1ccccc1OC
CCCNc1ncc2c(nn(CCC3CCCN3)c2n1)-c1ccc(OC)cc1
CCCNc1ncc2c(nn(CCCCCO)c2n1)-c1cncnc1
CCCNc1ncc2c(nn(Cc3ccccc3)c2n1)-c1ccc(cc1)C#N
CCCNc1ncc2c(nn(Cc3ccncc3)c2n1)-c1ccc(nc1)N1CCNCC1
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NS(C)(=O)=O)cc1 |r,wU:15.15,(12.18,-2.39,;10.85,-1.62,;9.52,-2.39,;8.18,-1.62,;6.85,-2.39,;5.52,-1.62,;5.52,-.08,;4.18,.69,;2.85,-.08,;1.38,.39,;.48,-.85,;1.38,-2.1,;.91,-3.57,;-.6,-3.89,;-1.07,-5.35,;-.04,-6.49,;-.52,-7.96,;1.46,-6.17,;1.94,-4.71,;2.85,-1.62,;4.18,-2.39,;.91,1.86,;-.6,2.18,;-1.07,3.64,;-.04,4.78,;-.52,6.25,;-2.03,6.57,;-2.35,5.06,;-3.53,6.89,;-1.71,8.08,;1.46,4.46,;1.94,3,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NS(C)(=O)=O)cc1 |r,wD:15.15,(12.18,-2.39,;10.85,-1.62,;9.52,-2.39,;8.18,-1.62,;6.85,-2.39,;5.52,-1.62,;5.52,-.08,;4.18,.69,;2.85,-.08,;1.38,.39,;.48,-.85,;1.38,-2.1,;.91,-3.57,;1.94,-4.71,;1.46,-6.17,;-.04,-6.49,;-.52,-7.96,;-1.07,-5.35,;-.6,-3.89,;2.85,-1.62,;4.18,-2.39,;.91,1.86,;-.6,2.18,;-1.07,3.64,;-.04,4.78,;-.52,6.25,;-2.03,6.57,;-2.35,5.06,;-3.53,6.89,;-1.71,8.08,;1.46,4.46,;1.94,3,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC1CCCCC1 |r,wD:15.15,(-8.63,-3.43,;-7.29,-2.66,;-5.96,-3.43,;-4.63,-2.66,;-3.29,-3.43,;-1.96,-2.66,;-1.96,-1.12,;-.63,-.35,;.71,-1.12,;2.17,-.64,;3.08,-1.89,;2.17,-3.13,;2.57,-4.62,;4.06,-5.02,;4.46,-6.51,;3.37,-7.59,;3.77,-9.08,;1.88,-7.2,;1.48,-5.71,;.71,-2.66,;-.63,-3.43,;2.57,.85,;4.06,1.25,;4.46,2.73,;3.37,3.82,;1.88,3.42,;1.48,1.94,;3.77,5.31,;5.31,5.31,;2.43,6.08,;4.17,6.8,;5.65,7.2,;6.74,6.11,;8.23,6.51,;8.63,7.99,;7.54,9.08,;6.05,8.68,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC1CCCCC1 |r,wU:15.15,(-8.63,-3.43,;-7.29,-2.66,;-5.96,-3.43,;-4.63,-2.66,;-3.29,-3.43,;-1.96,-2.66,;-1.96,-1.12,;-.63,-.35,;.71,-1.12,;2.17,-.64,;3.08,-1.89,;2.17,-3.13,;2.57,-4.62,;1.48,-5.71,;1.88,-7.2,;3.37,-7.59,;3.77,-9.08,;4.46,-6.51,;4.06,-5.02,;.71,-2.66,;-.63,-3.43,;2.57,.85,;4.06,1.25,;4.46,2.73,;3.37,3.82,;1.88,3.42,;1.48,1.94,;3.77,5.31,;5.31,5.31,;2.43,6.08,;4.17,6.8,;5.65,7.2,;6.74,6.11,;8.23,6.51,;8.63,7.99,;7.54,9.08,;6.05,8.68,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCCC |r,wD:15.15,(-8.28,-4.17,;-6.95,-3.4,;-5.62,-4.17,;-4.28,-3.4,;-2.95,-4.17,;-1.61,-3.4,;-1.61,-1.86,;-.28,-1.09,;1.05,-1.86,;2.52,-1.38,;3.42,-2.63,;2.52,-3.88,;2.92,-5.36,;4.4,-5.76,;4.8,-7.25,;3.71,-8.34,;4.11,-9.83,;2.23,-7.94,;1.83,-6.45,;1.05,-3.4,;-.28,-4.17,;2.92,.1,;4.4,.5,;4.8,1.99,;3.71,3.08,;2.23,2.68,;1.83,1.19,;4.11,4.57,;5.65,4.57,;2.78,5.34,;4.51,6.05,;6,6.45,;6.4,7.94,;7.88,8.34,;8.28,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCCC |r,wU:15.15,(-8.28,-4.17,;-6.95,-3.4,;-5.62,-4.17,;-4.28,-3.4,;-2.95,-4.17,;-1.61,-3.4,;-1.61,-1.86,;-.28,-1.09,;1.05,-1.86,;2.52,-1.38,;3.42,-2.63,;2.52,-3.88,;2.92,-5.36,;1.83,-6.45,;2.23,-7.94,;3.71,-8.34,;4.11,-9.83,;4.8,-7.25,;4.4,-5.76,;1.05,-3.4,;-.28,-4.17,;2.92,.1,;4.4,.5,;4.8,1.99,;3.71,3.08,;2.23,2.68,;1.83,1.19,;4.11,4.57,;5.65,4.57,;2.78,5.34,;4.51,6.05,;6,6.45,;6.4,7.94,;7.88,8.34,;8.28,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC(C)C |r,wD:15.15,(-7.68,-3.23,;-6.35,-2.46,;-5.02,-3.23,;-3.68,-2.46,;-2.35,-3.23,;-1.02,-2.46,;-1.02,-.92,;.32,-.15,;1.65,-.92,;3.12,-.44,;4.02,-1.69,;3.12,-2.93,;3.51,-4.42,;5,-4.82,;5.4,-6.31,;4.31,-7.4,;4.71,-8.88,;2.82,-7,;2.43,-5.51,;1.65,-2.46,;.32,-3.23,;3.51,1.05,;5,1.45,;5.4,2.93,;4.31,4.02,;2.82,3.62,;2.43,2.14,;4.71,5.51,;6.25,5.51,;3.38,6.28,;5.11,7,;6.6,7.4,;6.99,8.88,;7.68,6.31,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC(C)C |r,wU:15.15,(-7.68,-3.23,;-6.35,-2.46,;-5.02,-3.23,;-3.68,-2.46,;-2.35,-3.23,;-1.02,-2.46,;-1.02,-.92,;.32,-.15,;1.65,-.92,;3.12,-.44,;4.02,-1.69,;3.12,-2.93,;3.51,-4.42,;2.43,-5.51,;2.82,-7,;4.31,-7.4,;4.71,-8.88,;5.4,-6.31,;5,-4.82,;1.65,-2.46,;.32,-3.23,;3.51,1.05,;5,1.45,;5.4,2.93,;4.31,4.02,;2.82,3.62,;2.43,2.14,;4.71,5.51,;6.25,5.51,;3.38,6.28,;5.11,7,;6.6,7.4,;6.99,8.88,;7.68,6.31,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 |r,wD:15.15,(-8.08,-4.71,;-6.75,-3.94,;-5.42,-4.71,;-4.08,-3.94,;-2.75,-4.71,;-1.42,-3.94,;-1.42,-2.4,;-.08,-1.63,;1.25,-2.4,;2.72,-1.93,;3.62,-3.17,;2.72,-4.42,;3.12,-5.91,;4.6,-6.31,;5,-7.79,;3.91,-8.88,;4.31,-10.37,;2.43,-8.48,;2.03,-7,;1.25,-3.94,;-.08,-4.71,;3.12,-.44,;4.6,-.04,;5,1.45,;3.91,2.53,;4.31,4.02,;5.8,4.42,;7.34,4.42,;6.2,2.93,;6.2,5.91,;7.68,6.31,;8.08,7.79,;6.99,8.88,;7.39,10.37,;5.51,8.48,;5.11,7,;2.43,2.14,;2.03,.65,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 |r,wU:15.15,(-8.08,-4.71,;-6.75,-3.94,;-5.42,-4.71,;-4.08,-3.94,;-2.75,-4.71,;-1.42,-3.94,;-1.42,-2.4,;-.08,-1.63,;1.25,-2.4,;2.72,-1.93,;3.62,-3.17,;2.72,-4.42,;3.12,-5.91,;2.03,-7,;2.43,-8.48,;3.91,-8.88,;4.31,-10.37,;5,-7.79,;4.6,-6.31,;1.25,-3.94,;-.08,-4.71,;3.12,-.44,;4.6,-.04,;5,1.45,;3.91,2.53,;4.31,4.02,;5.8,4.42,;7.34,4.42,;6.2,2.93,;6.2,5.91,;7.68,6.31,;8.08,7.79,;6.99,8.88,;7.39,10.37,;5.51,8.48,;5.11,7,;2.43,2.14,;2.03,.65,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCC |r,wD:15.15,(-7.34,-3.23,;-6.01,-2.46,;-4.67,-3.23,;-3.34,-2.46,;-2,-3.23,;-.67,-2.46,;-.67,-.92,;.66,-.15,;2,-.92,;3.46,-.44,;4.37,-1.69,;3.46,-2.93,;3.86,-4.42,;5.35,-4.82,;5.75,-6.31,;4.66,-7.4,;5.05,-8.88,;3.17,-7,;2.77,-5.51,;2,-2.46,;.66,-3.23,;3.86,1.05,;5.35,1.45,;5.75,2.93,;4.66,4.02,;3.17,3.62,;2.77,2.14,;5.05,5.51,;6.59,5.51,;3.72,6.28,;5.45,7,;6.94,7.4,;7.34,8.88,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCC |r,wU:15.15,(-7.34,-3.23,;-6.01,-2.46,;-4.67,-3.23,;-3.34,-2.46,;-2,-3.23,;-.67,-2.46,;-.67,-.92,;.66,-.15,;2,-.92,;3.46,-.44,;4.37,-1.69,;3.46,-2.93,;3.86,-4.42,;2.77,-5.51,;3.17,-7,;4.66,-7.4,;5.05,-8.88,;5.75,-6.31,;5.35,-4.82,;2,-2.46,;.66,-3.23,;3.86,1.05,;5.35,1.45,;5.75,2.93,;4.66,4.02,;3.17,3.62,;2.77,2.14,;5.05,5.51,;6.59,5.51,;3.72,6.28,;5.45,7,;6.94,7.4,;7.34,8.88,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC1CCOCC1 |r,wD:15.15,(-8.63,-3.43,;-7.29,-2.66,;-5.96,-3.43,;-4.63,-2.66,;-3.29,-3.43,;-1.96,-2.66,;-1.96,-1.12,;-.63,-.35,;.71,-1.12,;2.17,-.64,;3.08,-1.89,;2.17,-3.13,;2.57,-4.62,;4.06,-5.02,;4.46,-6.51,;3.37,-7.59,;3.77,-9.08,;1.88,-7.2,;1.48,-5.71,;.71,-2.66,;-.63,-3.43,;2.57,.85,;4.06,1.25,;4.46,2.73,;3.37,3.82,;1.88,3.42,;1.48,1.94,;3.77,5.31,;5.31,5.31,;2.43,6.08,;4.17,6.8,;5.65,7.2,;6.74,6.11,;8.23,6.51,;8.63,7.99,;7.54,9.08,;6.05,8.68,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC1CCOCC1 |r,wU:15.15,(-8.63,-3.43,;-7.29,-2.66,;-5.96,-3.43,;-4.63,-2.66,;-3.29,-3.43,;-1.96,-2.66,;-1.96,-1.12,;-.63,-.35,;.71,-1.12,;2.17,-.64,;3.08,-1.89,;2.17,-3.13,;2.57,-4.62,;1.48,-5.71,;1.88,-7.2,;3.37,-7.59,;3.77,-9.08,;4.46,-6.51,;4.06,-5.02,;.71,-2.66,;-.63,-3.43,;2.57,.85,;4.06,1.25,;4.46,2.73,;3.37,3.82,;1.88,3.42,;1.48,1.94,;3.77,5.31,;5.31,5.31,;2.43,6.08,;4.17,6.8,;5.65,7.2,;6.74,6.11,;8.23,6.51,;8.63,7.99,;7.54,9.08,;6.05,8.68,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(F)cc1 |r,wD:15.15,(-9.37,-3.43,;-8.04,-2.66,;-6.7,-3.43,;-5.37,-2.66,;-4.04,-3.43,;-2.7,-2.66,;-2.7,-1.12,;-1.37,-.35,;-.04,-1.12,;1.43,-.64,;2.33,-1.89,;1.43,-3.13,;1.83,-4.62,;3.31,-5.02,;3.71,-6.51,;2.62,-7.59,;3.02,-9.08,;1.14,-7.2,;.74,-5.71,;-.04,-2.66,;-1.37,-3.43,;1.83,.85,;3.31,1.25,;3.71,2.73,;2.62,3.82,;1.14,3.42,;.74,1.94,;3.02,5.31,;4.56,5.31,;1.69,6.08,;3.42,6.8,;4.91,7.2,;6,6.11,;7.49,6.51,;7.88,7.99,;9.37,8.39,;6.8,9.08,;5.31,8.68,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(F)cc1 |r,wU:15.15,(-9.37,-3.43,;-8.04,-2.66,;-6.7,-3.43,;-5.37,-2.66,;-4.04,-3.43,;-2.7,-2.66,;-2.7,-1.12,;-1.37,-.35,;-.04,-1.12,;1.43,-.64,;2.33,-1.89,;1.43,-3.13,;1.83,-4.62,;.74,-5.71,;1.14,-7.2,;2.62,-7.59,;3.02,-9.08,;3.71,-6.51,;3.31,-5.02,;-.04,-2.66,;-1.37,-3.43,;1.83,.85,;3.31,1.25,;3.71,2.73,;2.62,3.82,;1.14,3.42,;.74,1.94,;3.02,5.31,;4.56,5.31,;1.69,6.08,;3.42,6.8,;4.91,7.2,;6,6.11,;7.49,6.51,;7.88,7.99,;9.37,8.39,;6.8,9.08,;5.31,8.68,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCc1ccc(F)cc1 |r,wD:15.15,(-8.28,-5.46,;-6.95,-4.69,;-5.62,-5.46,;-4.28,-4.69,;-2.95,-5.46,;-1.61,-4.69,;-1.61,-3.15,;-.28,-2.38,;1.05,-3.15,;2.52,-2.67,;3.42,-3.92,;2.52,-5.16,;2.92,-6.65,;4.4,-7.05,;4.8,-8.54,;3.71,-9.63,;4.11,-11.11,;2.23,-9.23,;1.83,-7.74,;1.05,-4.69,;-.28,-5.46,;2.92,-1.18,;4.4,-.79,;4.8,.7,;3.71,1.79,;2.23,1.39,;1.83,-.1,;4.11,3.28,;5.65,3.28,;2.78,4.05,;4.51,4.77,;6,5.16,;6.4,6.65,;7.88,7.05,;8.28,8.54,;7.19,9.63,;7.59,11.11,;5.71,9.23,;5.31,7.74,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCc1ccc(F)cc1 |r,wU:15.15,(-8.28,-5.46,;-6.95,-4.69,;-5.62,-5.46,;-4.28,-4.69,;-2.95,-5.46,;-1.61,-4.69,;-1.61,-3.15,;-.28,-2.38,;1.05,-3.15,;2.52,-2.67,;3.42,-3.92,;2.52,-5.16,;2.92,-6.65,;1.83,-7.74,;2.23,-9.23,;3.71,-9.63,;4.11,-11.11,;4.8,-8.54,;4.4,-7.05,;1.05,-4.69,;-.28,-5.46,;2.92,-1.18,;4.4,-.79,;4.8,.7,;3.71,1.79,;2.23,1.39,;1.83,-.1,;4.11,3.28,;5.65,3.28,;2.78,4.05,;4.51,4.77,;6,5.16,;6.4,6.65,;7.88,7.05,;8.28,8.54,;7.19,9.63,;7.59,11.11,;5.71,9.23,;5.31,7.74,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC1CCCC1 |r,wD:15.15,(-8.39,-3.22,;-7.05,-2.45,;-5.72,-3.22,;-4.39,-2.45,;-3.05,-3.22,;-1.72,-2.45,;-1.72,-.91,;-.38,-.14,;.95,-.91,;2.41,-.43,;3.32,-1.68,;2.41,-2.92,;2.81,-4.41,;4.3,-4.81,;4.7,-6.29,;3.61,-7.38,;4.01,-8.87,;2.12,-6.99,;1.72,-5.5,;.95,-2.45,;-.38,-3.22,;2.81,1.06,;4.3,1.46,;4.7,2.94,;3.61,4.03,;2.12,3.63,;1.72,2.15,;4.01,5.52,;5.55,5.52,;2.67,6.29,;4.41,7.01,;5.89,7.41,;6.37,8.87,;7.91,8.87,;8.39,7.41,;7.14,6.5,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC1CCCC1 |r,wU:15.15,(-8.39,-3.22,;-7.05,-2.45,;-5.72,-3.22,;-4.39,-2.45,;-3.05,-3.22,;-1.72,-2.45,;-1.72,-.91,;-.38,-.14,;.95,-.91,;2.41,-.43,;3.32,-1.68,;2.41,-2.92,;2.81,-4.41,;1.72,-5.5,;2.12,-6.99,;3.61,-7.38,;4.01,-8.87,;4.7,-6.29,;4.3,-4.81,;.95,-2.45,;-.38,-3.22,;2.81,1.06,;4.3,1.46,;4.7,2.94,;3.61,4.03,;2.12,3.63,;1.72,2.15,;4.01,5.52,;5.55,5.52,;2.67,6.29,;4.41,7.01,;5.89,7.41,;6.37,8.87,;7.91,8.87,;8.39,7.41,;7.14,6.5,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(C)cc1 |r,wU:15.15,(-9.37,-3.43,;-8.04,-2.66,;-6.7,-3.43,;-5.37,-2.66,;-4.04,-3.43,;-2.7,-2.66,;-2.7,-1.12,;-1.37,-.35,;-.04,-1.12,;1.43,-.64,;2.33,-1.89,;1.43,-3.13,;1.83,-4.62,;.74,-5.71,;1.14,-7.2,;2.62,-7.59,;3.02,-9.08,;3.71,-6.51,;3.31,-5.02,;-.04,-2.66,;-1.37,-3.43,;1.83,.85,;3.31,1.25,;3.71,2.73,;2.62,3.82,;1.14,3.42,;.74,1.94,;3.02,5.31,;4.56,5.31,;1.69,6.08,;3.42,6.8,;4.91,7.2,;6,6.11,;7.49,6.51,;7.88,7.99,;9.37,8.39,;6.8,9.08,;5.31,8.68,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC |r,wD:15.15,(-8.08,-3.43,;-6.75,-2.66,;-5.42,-3.43,;-4.08,-2.66,;-2.75,-3.43,;-1.42,-2.66,;-1.42,-1.12,;-.08,-.35,;1.25,-1.12,;2.72,-.64,;3.62,-1.89,;2.72,-3.13,;3.12,-4.62,;4.6,-5.02,;5,-6.51,;3.91,-7.59,;4.31,-9.08,;2.43,-7.2,;2.03,-5.71,;1.25,-2.66,;-.08,-3.43,;3.12,.85,;4.6,1.25,;5,2.73,;3.91,3.82,;2.43,3.42,;2.03,1.94,;4.31,5.31,;5.85,5.31,;2.98,6.08,;4.71,6.8,;6.2,7.2,;6.6,8.68,;8.08,9.08,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC |r,wU:15.15,(-8.08,-3.43,;-6.75,-2.66,;-5.42,-3.43,;-4.08,-2.66,;-2.75,-3.43,;-1.42,-2.66,;-1.42,-1.12,;-.08,-.35,;1.25,-1.12,;2.72,-.64,;3.62,-1.89,;2.72,-3.13,;3.12,-4.62,;2.03,-5.71,;2.43,-7.2,;3.91,-7.59,;4.31,-9.08,;5,-6.51,;4.6,-5.02,;1.25,-2.66,;-.08,-3.43,;3.12,.85,;4.6,1.25,;5,2.73,;3.91,3.82,;2.43,3.42,;2.03,1.94,;4.31,5.31,;5.85,5.31,;2.98,6.08,;4.71,6.8,;6.2,7.2,;6.6,8.68,;8.08,9.08,)|
CCCCNc1ncc2c(nn(Cc3ccc4[nH]cnc4c3)c2n1)-c1ccc(F)cc1
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)-c1nnn[nH]1 |r,wU:13.12,wD:16.16,(-8.57,-3.87,;-7.24,-3.1,;-5.91,-3.87,;-4.57,-3.1,;-3.24,-3.87,;-1.91,-3.1,;-1.91,-1.56,;-.57,-.79,;.76,-1.56,;2.23,-1.09,;3.13,-2.33,;2.23,-3.58,;2.62,-5.07,;4.11,-5.47,;5.2,-4.38,;6.69,-4.78,;7.09,-6.26,;8.57,-6.66,;6,-7.35,;4.51,-6.95,;.76,-3.1,;-.57,-3.87,;2.62,.4,;4.11,.8,;4.51,2.28,;3.42,3.37,;1.93,2.98,;1.54,1.49,;3.82,4.86,;5.28,5.34,;5.28,6.88,;3.82,7.35,;2.91,6.11,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC(C)=O |r,wU:13.12,wD:16.16,(-8.57,-4.66,;-7.24,-3.89,;-5.91,-4.66,;-4.57,-3.89,;-3.24,-4.66,;-1.91,-3.89,;-1.91,-2.35,;-.57,-1.58,;.76,-2.35,;2.23,-1.88,;3.13,-3.12,;2.23,-4.37,;2.62,-5.85,;4.11,-6.25,;5.2,-5.16,;6.69,-5.56,;7.09,-7.05,;8.57,-7.45,;6,-8.14,;4.51,-7.74,;.76,-3.89,;-.57,-4.66,;2.62,-.39,;4.11,.01,;4.51,1.5,;3.42,2.59,;1.93,2.19,;1.54,.7,;3.82,4.08,;2.33,4.47,;5.31,3.68,;4.22,5.56,;3.13,6.65,;3.53,8.14,;1.64,6.25,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(O)(=O)=O |r,wU:13.12,wD:16.16,(-8.57,-3.37,;-7.24,-2.6,;-5.91,-3.37,;-4.57,-2.6,;-3.24,-3.37,;-1.91,-2.6,;-1.91,-1.06,;-.57,-.29,;.76,-1.06,;2.23,-.59,;3.13,-1.83,;2.23,-3.08,;2.62,-4.57,;4.11,-4.96,;5.2,-3.88,;6.69,-4.27,;7.09,-5.76,;8.57,-6.16,;6,-6.85,;4.51,-6.45,;.76,-2.6,;-.57,-3.37,;2.62,.9,;4.11,1.3,;4.51,2.79,;3.42,3.88,;1.93,3.48,;1.54,1.99,;3.82,5.36,;4.22,6.85,;2.33,5.76,;5.31,4.96,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC |r,wU:16.16,wD:13.12,(12.25,-3.93,;10.92,-3.16,;9.59,-3.93,;8.25,-3.16,;6.92,-3.93,;5.59,-3.16,;5.59,-1.62,;4.25,-.85,;2.92,-1.62,;1.45,-1.15,;.55,-2.39,;1.45,-3.64,;.98,-5.11,;-.53,-5.43,;-1.56,-4.28,;-3.07,-4.6,;-3.54,-6.07,;-5.05,-6.39,;-2.51,-7.21,;-1,-6.89,;2.92,-3.16,;4.25,-3.93,;.98,.32,;-.53,.64,;-1,2.1,;.03,3.25,;1.53,2.92,;2.01,1.46,;-.45,4.71,;1.01,5.19,;-1.91,4.23,;-.93,6.17,;-2.43,6.49,)|
CCCCNc1ncc2c(nn(C3CCCCC3)c2n1)-c1ccc(F)cc1
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)C(O)=O |r,wU:13.12,wD:16.16,(-8.57,-3.17,;-7.24,-2.4,;-5.91,-3.17,;-4.57,-2.4,;-3.24,-3.17,;-1.91,-2.4,;-1.91,-.86,;-.57,-.09,;.76,-.86,;2.23,-.39,;3.13,-1.63,;2.23,-2.88,;2.62,-4.37,;4.11,-4.77,;5.2,-3.68,;6.69,-4.08,;7.09,-5.56,;8.57,-5.96,;6,-6.65,;4.51,-6.25,;.76,-2.4,;-.57,-3.17,;2.62,1.1,;4.11,1.5,;4.51,2.99,;3.44,4.13,;1.93,3.68,;1.54,2.19,;3.83,5.62,;2.75,6.7,;5.32,6.01,)|
CCCCNc1ncc2c(nn(C3CCCCC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC
CCCCNc1ncc2c(nn(C3CCOCC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC |r,wD:15.15,(-6.94,-2.83,;-5.61,-2.06,;-4.27,-2.83,;-2.94,-2.06,;-1.61,-2.83,;-.27,-2.06,;-.27,-.52,;1.06,.25,;2.39,-.52,;3.86,-.04,;4.76,-1.29,;3.86,-2.53,;4.26,-4.02,;5.75,-4.42,;6.14,-5.91,;5.05,-7,;5.45,-8.48,;3.57,-6.6,;3.17,-5.11,;2.39,-2.06,;1.06,-2.83,;4.26,1.45,;5.75,1.84,;6.14,3.33,;5.05,4.42,;3.57,4.02,;3.17,2.53,;5.45,5.91,;3.97,6.31,;6.94,5.51,;5.85,7.4,;4.76,8.48,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC |r,wU:15.15,(-6.94,-2.83,;-5.61,-2.06,;-4.27,-2.83,;-2.94,-2.06,;-1.61,-2.83,;-.27,-2.06,;-.27,-.52,;1.06,.25,;2.39,-.52,;3.86,-.04,;4.76,-1.29,;3.86,-2.53,;4.26,-4.02,;3.17,-5.11,;3.57,-6.6,;5.05,-7,;5.45,-8.48,;6.14,-5.91,;5.75,-4.42,;2.39,-2.06,;1.06,-2.83,;4.26,1.45,;5.75,1.84,;6.14,3.33,;5.05,4.42,;3.57,4.02,;3.17,2.53,;5.45,5.91,;3.97,6.31,;6.94,5.51,;5.85,7.4,;4.76,8.48,)|
CCCCNc1ncc2c(nn(CC3CCOCC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC
CCCCNc1ncc2c(nn(CCC3CCOCC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC
CCCCNc1ncc2c(nn(CCCN3CCOCC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC
CCCCNc1ncc2c(nn(CCC3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC |r,wD:17.17,(-7.49,-1.89,;-6.15,-1.12,;-4.82,-1.89,;-3.48,-1.12,;-2.15,-1.89,;-.82,-1.12,;-.82,.42,;.52,1.19,;1.85,.42,;3.31,.9,;4.22,-.35,;3.31,-1.59,;3.71,-3.08,;5.2,-3.48,;5.6,-4.96,;7.09,-5.36,;7.49,-6.85,;6.4,-7.94,;6.8,-9.43,;4.91,-7.54,;4.51,-6.05,;1.85,-1.12,;.52,-1.89,;3.71,2.39,;5.2,2.79,;5.6,4.27,;4.51,5.36,;3.02,4.96,;2.62,3.48,;4.91,6.85,;3.82,7.94,;6.4,7.25,;5.31,8.34,;4.22,9.43,)|
CCCCNc1ncc2c(nn(CCC[C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC |r,wU:15.14,wD:18.18,(-9.52,-2.97,;-8.18,-2.2,;-6.85,-2.97,;-5.52,-2.2,;-4.18,-2.97,;-2.85,-2.2,;-2.85,-.66,;-1.52,.11,;-.18,-.66,;1.28,-.19,;2.19,-1.43,;1.28,-2.68,;1.68,-4.17,;3.17,-4.57,;3.57,-6.05,;5.05,-6.45,;6.14,-5.36,;7.63,-5.76,;8.03,-7.25,;9.52,-7.65,;6.94,-8.34,;5.45,-7.94,;-.18,-2.2,;-1.52,-2.97,;1.68,1.3,;3.17,1.7,;3.57,3.19,;2.48,4.27,;.99,3.88,;.59,2.39,;2.88,5.76,;1.79,6.85,;4.36,6.16,;3.28,7.25,;2.19,8.34,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC |r,wU:13.12,wD:16.16,(-8.57,-3.92,;-7.24,-3.15,;-5.91,-3.92,;-4.57,-3.15,;-3.24,-3.92,;-1.91,-3.15,;-1.91,-1.61,;-.57,-.84,;.76,-1.61,;2.23,-1.13,;3.13,-2.38,;2.23,-3.62,;2.62,-5.11,;4.11,-5.51,;5.2,-4.42,;6.69,-4.82,;7.09,-6.31,;8.57,-6.7,;6,-7.4,;4.51,-7,;.76,-3.15,;-.57,-3.92,;2.62,.36,;4.11,.75,;4.51,2.24,;3.42,3.33,;1.93,2.93,;1.54,1.45,;3.82,4.82,;2.73,5.91,;5.31,5.22,;4.22,6.31,;3.13,7.4,)|
CCCCNc1ncc2c(nn(CC3CCNCC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC
CCCCNc1ncc2c(nn(C[C@H]3CC[C@@](C)(N)CC3)c2n1)-c1ccc(F)cc1 |r,wU:13.12,16.17,wD:16.16,(-8.57,-2.63,;-7.24,-1.86,;-5.91,-2.63,;-4.57,-1.86,;-3.24,-2.63,;-1.91,-1.86,;-1.91,-.32,;-.57,.45,;.76,-.32,;2.23,.16,;3.13,-1.09,;2.23,-2.33,;2.62,-3.82,;4.11,-4.22,;5.2,-3.13,;6.69,-3.53,;7.09,-5.02,;8.18,-6.11,;8.57,-4.62,;6,-6.11,;4.51,-5.71,;.76,-1.86,;-.57,-2.63,;2.62,1.64,;4.11,2.04,;4.51,3.53,;3.42,4.62,;3.82,6.11,;1.93,4.22,;1.54,2.73,)|
CCCCNc1ncc2c(nn(C(C)C)c2n1)-c1ccc(cc1)S(=O)(=O)NC
CCCCNc1ncc2c(nn(CCO)c2n1)-c1ccc(cc1)S(=O)(=O)NC
CCCCNc1ncc2c(nn(CCCO)c2n1)-c1ccc(cc1)S(=O)(=O)NC
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(N2CCOCC2)c(F)c1 |r,wU:13.12,wD:16.16,(-8.57,-4.12,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;5.2,-4.62,;6.69,-5.02,;7.09,-6.51,;8.57,-6.9,;6,-7.59,;4.51,-7.2,;.76,-3.35,;-.57,-4.12,;2.62,.16,;1.54,1.25,;1.93,2.73,;3.42,3.13,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,;4.51,2.04,;6,2.44,;4.11,.56,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(CN2CCOCC2)c(F)c1 |r,wU:13.12,wD:16.16,(-8.57,-4.46,;-7.24,-3.69,;-5.91,-4.46,;-4.57,-3.69,;-3.24,-4.46,;-1.91,-3.69,;-1.91,-2.15,;-.57,-1.38,;.76,-2.15,;2.23,-1.68,;3.13,-2.92,;2.23,-4.17,;2.62,-5.66,;4.11,-6.05,;5.2,-4.96,;6.69,-5.36,;7.09,-6.85,;8.57,-7.25,;6,-7.94,;4.51,-7.54,;.76,-3.69,;-.57,-4.46,;2.62,-.19,;1.54,.9,;1.93,2.39,;3.42,2.79,;3.82,4.27,;2.73,5.36,;3.13,6.85,;2.04,7.94,;.55,7.54,;.15,6.05,;1.24,4.96,;4.51,1.7,;6,2.1,;4.11,.21,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccccc1 |r,wU:13.12,wD:16.16,(-8.57,-1.89,;-7.24,-1.12,;-5.91,-1.89,;-4.57,-1.12,;-3.24,-1.89,;-1.91,-1.12,;-1.91,.42,;-.57,1.19,;.76,.42,;2.23,.9,;3.13,-.35,;2.23,-1.59,;2.62,-3.08,;4.11,-3.48,;5.2,-2.39,;6.69,-2.79,;7.09,-4.27,;8.57,-4.67,;6,-5.36,;4.51,-4.96,;.76,-1.12,;-.57,-1.89,;2.62,2.39,;4.11,2.79,;4.51,4.27,;3.42,5.36,;1.93,4.96,;1.54,3.48,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(Br)cc1 |r,wU:13.12,wD:16.16,(-8.57,-2.63,;-7.24,-1.86,;-5.91,-2.63,;-4.57,-1.86,;-3.24,-2.63,;-1.91,-1.86,;-1.91,-.32,;-.57,.45,;.76,-.32,;2.23,.16,;3.13,-1.09,;2.23,-2.33,;2.62,-3.82,;4.11,-4.22,;5.2,-3.13,;6.69,-3.53,;7.09,-5.02,;8.57,-5.42,;6,-6.11,;4.51,-5.71,;.76,-1.86,;-.57,-2.63,;2.62,1.64,;4.11,2.04,;4.51,3.53,;3.42,4.62,;3.82,6.11,;1.93,4.22,;1.54,2.73,)|
N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCOCC3)c3cnc(Nc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(7.91,-6.9,;6.42,-6.51,;6.02,-5.02,;4.53,-4.62,;3.45,-5.71,;1.96,-5.31,;1.56,-3.82,;2.46,-2.58,;1.56,-1.33,;1.96,.16,;3.45,.56,;3.84,2.04,;2.75,3.13,;1.27,2.73,;.87,1.25,;3.15,4.62,;4.64,5.02,;5.04,6.51,;3.95,7.59,;2.46,7.2,;2.06,5.71,;.09,-1.81,;-1.24,-1.04,;-2.57,-1.81,;-2.57,-3.35,;-3.91,-4.12,;-5.24,-3.35,;-5.24,-1.81,;-6.57,-1.04,;-7.91,-1.81,;-7.91,-3.35,;-6.57,-4.12,;-1.24,-4.12,;.09,-3.35,;3.84,-7.2,;5.33,-7.59,)|
COc1cccc(Nc2ncc3c(nn(C[C@H]4CC[C@H](N)CC4)c3n2)-c2ccc(cc2)N2CCOCC2)c1 |r,wU:16.15,wD:19.19,(-9.75,-3.13,;-8.57,-4.12,;-7.24,-3.35,;-7.24,-1.81,;-5.91,-1.04,;-4.57,-1.81,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;5.2,-4.62,;6.69,-5.02,;7.09,-6.51,;8.57,-6.9,;6,-7.59,;4.51,-7.2,;.76,-3.35,;-.57,-4.12,;2.62,.16,;4.11,.56,;4.51,2.04,;3.42,3.13,;1.93,2.73,;1.54,1.25,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,;-5.91,-4.12,)|
COc1ccc(Nc2ncc3c(nn(C[C@H]4CC[C@H](N)CC4)c3n2)-c2ccc(cc2)N2CCOCC2)cc1 |r,wU:15.14,wD:18.18,(-8.31,.48,;-8.57,-1.04,;-7.24,-1.81,;-5.91,-1.04,;-4.57,-1.81,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;5.2,-4.62,;6.69,-5.02,;7.09,-6.51,;8.57,-6.9,;6,-7.59,;4.51,-7.2,;.76,-3.35,;-.57,-4.12,;2.62,.16,;4.11,.56,;4.51,2.04,;3.42,3.13,;1.93,2.73,;1.54,1.25,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,;-5.91,-4.12,;-7.24,-3.35,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(F)cc1 |r,wD:15.15,(-6.54,-1.54,;-5.21,-.77,;-3.88,-1.54,;-2.54,-.77,;-1.21,-1.54,;.13,-.77,;.13,.77,;1.46,1.54,;2.79,.77,;4.26,1.25,;5.16,,;4.26,-1.25,;4.66,-2.73,;6.14,-3.13,;6.54,-4.62,;5.45,-5.71,;5.85,-7.2,;3.97,-5.31,;3.57,-3.82,;2.79,-.77,;1.46,-1.54,;4.66,2.73,;6.14,3.13,;6.54,4.62,;5.45,5.71,;5.85,7.2,;3.97,5.31,;3.57,3.82,)|
CNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccccc1Cl |r,wU:10.9,wD:13.13,(-6.57,-1.12,;-5.24,-1.89,;-3.91,-1.12,;-3.91,.42,;-2.57,1.19,;-1.24,.42,;.23,.9,;1.13,-.35,;.23,-1.59,;.62,-3.08,;2.11,-3.48,;3.2,-2.39,;4.69,-2.79,;5.09,-4.27,;6.57,-4.67,;4,-5.36,;2.51,-4.96,;-1.24,-1.12,;-2.57,-1.89,;.62,2.39,;-.46,3.48,;-.07,4.96,;1.42,5.36,;2.51,4.27,;2.11,2.79,;3.2,1.7,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)C(=O)NN |r,wU:13.12,wD:16.16,(-8.57,-3.57,;-7.24,-2.8,;-5.91,-3.57,;-4.57,-2.8,;-3.24,-3.57,;-1.91,-2.8,;-1.91,-1.26,;-.57,-.49,;.76,-1.26,;2.23,-.79,;3.13,-2.03,;2.23,-3.28,;2.62,-4.77,;4.11,-5.16,;5.2,-4.08,;6.69,-4.47,;7.09,-5.96,;8.57,-6.36,;6,-7.05,;4.51,-6.65,;.76,-2.8,;-.57,-3.57,;2.62,.7,;4.11,1.1,;4.51,2.59,;3.44,3.73,;1.93,3.28,;1.54,1.79,;3.83,5.22,;2.75,6.31,;5.32,5.62,;5.72,7.1,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wD:15.15,(-7.34,-3.77,;-6.01,-3,;-4.67,-3.77,;-3.34,-3,;-2,-3.77,;-.67,-3,;-.67,-1.46,;.66,-.69,;2,-1.46,;3.46,-.99,;4.37,-2.23,;3.46,-3.48,;3.86,-4.96,;5.35,-5.36,;5.75,-6.85,;4.66,-7.94,;5.05,-9.43,;3.17,-7.54,;2.77,-6.05,;2,-3,;.66,-3.77,;3.86,.5,;5.35,.9,;5.75,2.39,;4.66,3.48,;3.17,3.08,;2.77,1.59,;5.05,4.96,;3.57,5.36,;6.54,4.57,;5.45,6.45,;6.94,6.85,;7.34,8.34,;6.25,9.43,;4.76,9.03,;4.36,7.54,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:15.15,(-7.34,-3.77,;-6.01,-3,;-4.67,-3.77,;-3.34,-3,;-2,-3.77,;-.67,-3,;-.67,-1.46,;.66,-.69,;2,-1.46,;3.46,-.99,;4.37,-2.23,;3.46,-3.48,;3.86,-4.96,;2.77,-6.05,;3.17,-7.54,;4.66,-7.94,;5.05,-9.43,;5.75,-6.85,;5.35,-5.36,;2,-3,;.66,-3.77,;3.86,.5,;5.35,.9,;5.75,2.39,;4.66,3.48,;3.17,3.08,;2.77,1.59,;5.05,4.96,;3.57,5.36,;6.54,4.57,;5.45,6.45,;6.94,6.85,;7.34,8.34,;6.25,9.43,;4.76,9.03,;4.36,7.54,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC1CC1 |r,wD:15.15,(-6.94,-3.57,;-5.61,-2.8,;-4.27,-3.57,;-2.94,-2.8,;-1.61,-3.57,;-.27,-2.8,;-.27,-1.26,;1.06,-.49,;2.39,-1.26,;3.86,-.79,;4.76,-2.03,;3.86,-3.28,;4.26,-4.77,;5.75,-5.16,;6.14,-6.65,;5.05,-7.74,;5.45,-9.23,;3.57,-7.34,;3.17,-5.85,;2.39,-2.8,;1.06,-3.57,;4.26,.7,;5.75,1.1,;6.14,2.59,;5.05,3.68,;3.57,3.28,;3.17,1.79,;5.45,5.16,;3.97,5.56,;6.94,4.77,;5.85,6.65,;4.76,7.74,;4.36,9.23,;3.28,8.14,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)N1CCOCC1 |r,wD:15.15,(-7.14,-3.03,;-5.81,-2.26,;-4.47,-3.03,;-3.14,-2.26,;-1.81,-3.03,;-.47,-2.26,;-.47,-.72,;.86,.05,;2.2,-.72,;3.66,-.24,;4.57,-1.49,;3.66,-2.73,;4.06,-4.22,;5.55,-4.62,;5.94,-6.11,;4.86,-7.2,;5.25,-8.68,;3.37,-6.8,;2.97,-5.31,;2.2,-2.26,;.86,-3.03,;4.06,1.25,;5.55,1.64,;5.94,3.13,;4.86,4.22,;3.37,3.82,;2.97,2.33,;5.25,5.71,;6.74,6.11,;7.14,7.59,;6.05,8.68,;4.56,8.29,;4.17,6.8,)|
CCCCNc1ncc2c(nn(CC3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)C(=O)N1CCOCC1 |r,wD:16.16,(-8.68,-4.25,;-7.35,-3.48,;-6.01,-4.25,;-4.68,-3.48,;-3.34,-4.25,;-2.01,-3.48,;-2.01,-1.94,;-.68,-1.17,;.66,-1.94,;2.12,-1.46,;3.03,-2.71,;2.12,-3.95,;2.52,-5.44,;4.06,-5.44,;4.83,-4.11,;6.37,-4.11,;7.14,-5.44,;8.68,-5.44,;6.37,-6.77,;4.83,-6.77,;.66,-3.48,;-.68,-4.25,;2.52,.03,;4.01,.43,;4.41,1.91,;3.32,3,;1.83,2.6,;1.43,1.12,;3.72,4.49,;2.63,5.58,;5.2,4.89,;6.29,3.8,;7.78,4.2,;8.18,5.68,;7.09,6.77,;5.6,6.38,)|
CCCCNc1ncc2c(nn(CC3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)C(=O)NC |r,wD:16.16,(-8.68,-3.65,;-7.35,-2.88,;-6.01,-3.65,;-4.68,-2.88,;-3.34,-3.65,;-2.01,-2.88,;-2.01,-1.34,;-.68,-.57,;.66,-1.34,;2.12,-.86,;3.03,-2.11,;2.12,-3.35,;2.52,-4.84,;4.06,-4.84,;4.83,-3.51,;6.37,-3.51,;7.14,-4.84,;8.68,-4.84,;6.37,-6.18,;4.83,-6.18,;.66,-2.88,;-.68,-3.65,;2.52,.62,;4.01,1.02,;4.41,2.51,;3.32,3.6,;1.83,3.2,;1.43,1.71,;3.72,5.09,;2.63,6.18,;5.2,5.49,;6.29,4.4,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)C(=O)N1CCCC1 |r,wU:13.12,wD:16.16,(-8.68,-4.04,;-7.35,-3.27,;-6.01,-4.04,;-4.68,-3.27,;-3.34,-4.04,;-2.01,-3.27,;-2.01,-1.73,;-.68,-.96,;.66,-1.73,;2.12,-1.25,;3.03,-2.5,;2.12,-3.74,;2.52,-5.23,;4.06,-5.23,;4.83,-3.9,;6.37,-3.9,;7.14,-5.23,;8.68,-5.23,;6.37,-6.56,;4.83,-6.56,;.66,-3.27,;-.68,-4.04,;2.52,.24,;4.01,.64,;4.41,2.12,;3.32,3.21,;1.83,2.81,;1.43,1.33,;3.72,4.7,;2.63,5.79,;5.2,5.1,;5.68,6.56,;7.22,6.56,;7.69,5.1,;6.45,4.19,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C(=O)N1CCOCC1 |r,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;1.68,2.68,;3.97,6.05,;2.88,7.14,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C(=O)N1CCOCC1 |r,wU:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;1.68,-4.96,;2.08,-6.45,;3.57,-6.85,;3.97,-8.34,;4.66,-5.76,;4.26,-4.27,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;1.68,2.68,;3.97,6.05,;2.88,7.14,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C(=O)N1CCCC1 |r,wU:15.15,(-8.19,-2.47,;-6.85,-1.7,;-5.52,-2.47,;-4.19,-1.7,;-2.85,-2.47,;-1.52,-1.7,;-1.52,-.16,;-.18,.61,;1.15,-.16,;2.61,.31,;3.52,-.93,;2.61,-2.18,;3.01,-3.67,;1.92,-4.75,;2.32,-6.24,;3.81,-6.64,;4.21,-8.13,;4.9,-5.55,;4.5,-4.06,;1.15,-1.7,;-.18,-2.47,;3.01,1.8,;4.5,2.2,;4.9,3.69,;3.81,4.78,;2.32,4.38,;1.92,2.89,;4.21,6.26,;3.12,7.35,;5.7,6.66,;6.17,8.13,;7.71,8.13,;8.19,6.66,;6.94,5.76,)|
CCCCNc1ncc2c(nn(CC3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCCC1=O |r,wD:16.16,(-8.68,-4.35,;-7.35,-3.58,;-6.01,-4.35,;-4.68,-3.58,;-3.34,-4.35,;-2.01,-3.58,;-2.01,-2.04,;-.68,-1.27,;.66,-2.04,;2.12,-1.56,;3.03,-2.81,;2.12,-4.06,;2.52,-5.54,;4.06,-5.54,;4.83,-4.21,;6.37,-4.21,;7.14,-5.54,;8.68,-5.54,;6.37,-6.88,;4.83,-6.88,;.66,-3.58,;-.68,-4.35,;2.52,-.08,;4.01,.32,;4.41,1.81,;3.32,2.9,;1.83,2.5,;1.43,1.01,;3.72,4.39,;2.81,5.63,;3.72,6.88,;5.18,6.4,;5.18,4.86,;6.51,4.09,)|
CCCCNc1ncc2c(nn(CC3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCOCC1=O |r,wD:16.16,(-8.68,-4.59,;-7.35,-3.82,;-6.01,-4.59,;-4.68,-3.82,;-3.34,-4.59,;-2.01,-3.82,;-2.01,-2.28,;-.68,-1.51,;.66,-2.28,;2.12,-1.81,;3.03,-3.05,;2.12,-4.3,;2.52,-5.79,;4.06,-5.79,;4.83,-4.45,;6.37,-4.45,;7.14,-5.79,;8.68,-5.79,;6.37,-7.12,;4.83,-7.12,;.66,-3.82,;-.68,-4.59,;2.52,-.32,;4.01,.08,;4.41,1.57,;3.32,2.66,;1.83,2.26,;1.43,.77,;3.72,4.14,;2.63,5.23,;3.02,6.72,;4.51,7.12,;5.6,6.03,;5.2,4.54,;6.29,3.45,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C(=O)N1CCCC1 |r,wD:15.15,(-8.19,-2.47,;-6.85,-1.7,;-5.52,-2.47,;-4.19,-1.7,;-2.85,-2.47,;-1.52,-1.7,;-1.52,-.16,;-.18,.61,;1.15,-.16,;2.61,.31,;3.52,-.93,;2.61,-2.18,;3.01,-3.67,;4.5,-4.06,;4.9,-5.55,;3.81,-6.64,;4.21,-8.13,;2.32,-6.24,;1.92,-4.75,;1.15,-1.7,;-.18,-2.47,;3.01,1.8,;4.5,2.2,;4.9,3.69,;3.81,4.78,;2.32,4.38,;1.92,2.89,;4.21,6.26,;3.12,7.35,;5.7,6.66,;6.17,8.13,;7.71,8.13,;8.19,6.66,;6.94,5.76,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1 |r,wD:15.15,(-9.23,-5.66,;-7.89,-4.89,;-6.56,-5.66,;-5.22,-4.89,;-3.89,-5.66,;-2.56,-4.89,;-2.56,-3.35,;-1.22,-2.58,;.11,-3.35,;1.57,-2.87,;2.48,-4.12,;1.57,-5.36,;1.97,-6.85,;3.46,-7.25,;3.86,-8.74,;2.77,-9.83,;3.17,-11.31,;1.28,-9.43,;.88,-7.94,;.11,-4.89,;-1.22,-5.66,;1.97,-1.38,;3.46,-.99,;3.86,.5,;2.77,1.59,;1.28,1.19,;.88,-.3,;3.17,3.08,;4.71,3.08,;1.68,3.48,;3.57,4.57,;5.06,4.96,;5.45,6.45,;6.94,6.85,;7.34,8.34,;8.83,8.74,;9.23,10.22,;8.14,11.31,;6.65,10.91,;6.25,9.43,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1 |r,wU:15.15,(-9.23,-5.66,;-7.89,-4.89,;-6.56,-5.66,;-5.22,-4.89,;-3.89,-5.66,;-2.56,-4.89,;-2.56,-3.35,;-1.22,-2.58,;.11,-3.35,;1.57,-2.87,;2.48,-4.12,;1.57,-5.36,;1.97,-6.85,;.88,-7.94,;1.28,-9.43,;2.77,-9.83,;3.17,-11.31,;3.86,-8.74,;3.46,-7.25,;.11,-4.89,;-1.22,-5.66,;1.97,-1.38,;3.46,-.99,;3.86,.5,;2.77,1.59,;1.28,1.19,;.88,-.3,;3.17,3.08,;4.71,3.08,;1.68,3.48,;3.57,4.57,;5.06,4.96,;5.45,6.45,;6.94,6.85,;7.34,8.34,;8.83,8.74,;9.23,10.22,;8.14,11.31,;6.65,10.91,;6.25,9.43,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(F)cc1 |r,wU:31.34,wD:15.15,(-11.06,-4.57,;-9.72,-3.8,;-8.39,-4.57,;-7.06,-3.8,;-5.72,-4.57,;-4.39,-3.8,;-4.39,-2.26,;-3.06,-1.49,;-1.72,-2.26,;-.26,-1.78,;.65,-3.03,;-.26,-4.27,;.14,-5.76,;1.63,-6.16,;2.03,-7.65,;.94,-8.74,;1.34,-10.22,;-.55,-8.34,;-.95,-6.85,;-1.72,-3.8,;-3.06,-4.57,;.14,-.3,;1.63,.1,;2.03,1.59,;.94,2.68,;-.55,2.28,;-.95,.79,;1.34,4.17,;.94,5.66,;-.15,4.57,;2.82,4.57,;3.22,6.05,;2.13,7.14,;2.53,8.63,;.65,6.74,;4.71,6.45,;5.8,5.36,;5.11,7.94,;6.6,8.34,;7.68,7.25,;9.17,7.65,;9.57,9.14,;11.06,9.53,;8.48,10.22,;6.99,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(F)cc1 |r,wU:15.15,31.34,(-11.06,-4.57,;-9.72,-3.8,;-8.39,-4.57,;-7.06,-3.8,;-5.72,-4.57,;-4.39,-3.8,;-4.39,-2.26,;-3.06,-1.49,;-1.72,-2.26,;-.26,-1.78,;.65,-3.03,;-.26,-4.27,;.14,-5.76,;-.95,-6.85,;-.55,-8.34,;.94,-8.74,;1.34,-10.22,;2.03,-7.65,;1.63,-6.16,;-1.72,-3.8,;-3.06,-4.57,;.14,-.3,;1.63,.1,;2.03,1.59,;.94,2.68,;-.55,2.28,;-.95,.79,;1.34,4.17,;.94,5.66,;-.15,4.57,;2.82,4.57,;3.22,6.05,;2.13,7.14,;2.53,8.63,;.65,6.74,;4.71,6.45,;5.8,5.36,;5.11,7.94,;6.6,8.34,;7.68,7.25,;9.17,7.65,;9.57,9.14,;11.06,9.53,;8.48,10.22,;6.99,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCc1ccc(F)cc1 |r,wD:15.15,(-9.03,-5.66,;-7.69,-4.89,;-6.36,-5.66,;-5.03,-4.89,;-3.69,-5.66,;-2.36,-4.89,;-2.36,-3.35,;-1.02,-2.58,;.31,-3.35,;1.77,-2.87,;2.68,-4.12,;1.77,-5.36,;2.17,-6.85,;3.66,-7.25,;4.06,-8.74,;2.97,-9.83,;3.37,-11.31,;1.48,-9.43,;1.08,-7.94,;.31,-4.89,;-1.02,-5.66,;2.17,-1.38,;3.66,-.99,;4.06,.5,;2.97,1.59,;1.48,1.19,;1.08,-.3,;3.37,3.08,;2.97,4.57,;1.88,3.48,;4.86,3.48,;5.25,4.96,;6.74,5.36,;7.14,6.85,;8.63,7.25,;9.03,8.74,;7.94,9.83,;8.34,11.31,;6.45,9.43,;6.05,7.94,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC1(CC1)C(=O)Nc1ccc(F)cc1 |r,wD:15.15,(-11.06,-4.57,;-9.72,-3.8,;-8.39,-4.57,;-7.06,-3.8,;-5.72,-4.57,;-4.39,-3.8,;-4.39,-2.26,;-3.06,-1.49,;-1.72,-2.26,;-.26,-1.78,;.65,-3.03,;-.26,-4.27,;.14,-5.76,;1.63,-6.16,;2.03,-7.65,;.94,-8.74,;1.34,-10.22,;-.55,-8.34,;-.95,-6.85,;-1.72,-3.8,;-3.06,-4.57,;.14,-.3,;1.63,.1,;2.03,1.59,;.94,2.68,;-.55,2.28,;-.95,.79,;1.34,4.17,;.94,5.66,;-.15,4.57,;2.82,4.57,;3.22,6.05,;2.82,7.54,;1.73,6.45,;4.71,6.45,;5.8,5.36,;5.11,7.94,;6.6,8.34,;7.68,7.25,;9.17,7.65,;9.57,9.14,;11.06,9.53,;8.48,10.22,;6.99,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(F)cc2)cc1 |r,wD:15.15,(-11.06,-4.57,;-9.72,-3.8,;-8.39,-4.57,;-7.06,-3.8,;-5.72,-4.57,;-4.39,-3.8,;-4.39,-2.26,;-3.06,-1.49,;-1.72,-2.26,;-.26,-1.78,;.65,-3.03,;-.26,-4.27,;.14,-5.76,;1.63,-6.16,;2.03,-7.65,;.94,-8.74,;1.34,-10.22,;-.55,-8.34,;-.95,-6.85,;-1.72,-3.8,;-3.06,-4.57,;.14,-.3,;1.63,.1,;2.03,1.59,;.94,2.68,;1.34,4.17,;2.82,4.57,;3.91,3.48,;3.22,6.05,;2.82,7.54,;1.73,6.45,;4.71,6.45,;5.8,5.36,;5.11,7.94,;6.6,8.34,;7.68,7.25,;9.17,7.65,;9.57,9.14,;11.06,9.53,;8.48,10.22,;6.99,9.83,;-.55,2.28,;-.95,.79,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C |r,wD:15.15,(-12.07,-4.02,;-10.74,-3.25,;-9.4,-4.02,;-8.07,-3.25,;-6.74,-4.02,;-5.4,-3.25,;-5.4,-1.71,;-4.07,-.94,;-2.73,-1.71,;-1.27,-1.24,;-.36,-2.48,;-1.27,-3.73,;-.87,-5.22,;.62,-5.62,;1.01,-7.1,;-.07,-8.19,;.32,-9.68,;-1.56,-7.79,;-1.96,-6.31,;-2.73,-3.25,;-4.07,-4.02,;-.87,.25,;.62,.65,;1.01,2.14,;-.07,3.22,;-1.56,2.83,;-1.96,1.34,;.32,4.71,;-.07,6.2,;-1.16,5.11,;1.81,5.11,;2.21,6.6,;3.7,7,;4.79,5.91,;6.27,6.31,;6.67,7.79,;5.58,8.88,;4.1,8.48,;8.16,8.19,;8.56,9.68,;9.25,7.1,;10.74,7.5,;11.51,8.84,;12.07,6.73,;11.14,6.01,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCC1CCNCC1 |r,wD:15.15,(-9.37,-3.63,;-8.04,-2.86,;-6.7,-3.63,;-5.37,-2.86,;-4.04,-3.63,;-2.7,-2.86,;-2.7,-1.32,;-1.37,-.55,;-.04,-1.32,;1.43,-.84,;2.33,-2.09,;1.43,-3.33,;1.83,-4.82,;3.31,-5.22,;3.71,-6.7,;2.62,-7.79,;3.02,-9.28,;1.14,-7.4,;.74,-5.91,;-.04,-2.86,;-1.37,-3.63,;1.83,.65,;3.31,1.05,;3.71,2.53,;2.62,3.62,;1.14,3.22,;.74,1.74,;3.02,5.11,;2.62,6.6,;1.54,5.51,;4.51,5.51,;4.91,7,;6.4,7.4,;7.49,6.31,;8.97,6.7,;9.37,8.19,;8.28,9.28,;6.8,8.88,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCC1CCNCC1 |r,wU:15.15,(-9.37,-3.63,;-8.04,-2.86,;-6.7,-3.63,;-5.37,-2.86,;-4.04,-3.63,;-2.7,-2.86,;-2.7,-1.32,;-1.37,-.55,;-.04,-1.32,;1.43,-.84,;2.33,-2.09,;1.43,-3.33,;1.83,-4.82,;.74,-5.91,;1.14,-7.4,;2.62,-7.79,;3.02,-9.28,;3.71,-6.7,;3.31,-5.22,;-.04,-2.86,;-1.37,-3.63,;1.83,.65,;3.31,1.05,;3.71,2.53,;2.62,3.62,;1.14,3.22,;.74,1.74,;3.02,5.11,;2.62,6.6,;1.54,5.51,;4.51,5.51,;4.91,7,;6.4,7.4,;7.49,6.31,;8.97,6.7,;9.37,8.19,;8.28,9.28,;6.8,8.88,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(O)=O |r,wD:15.15,(-9.72,-3.08,;-8.38,-2.31,;-7.05,-3.08,;-5.72,-2.31,;-4.38,-3.08,;-3.05,-2.31,;-3.05,-.77,;-1.71,-0,;-.38,-.77,;1.08,-.3,;1.99,-1.54,;1.08,-2.79,;1.48,-4.27,;2.97,-4.67,;3.37,-6.16,;2.28,-7.25,;2.68,-8.74,;.79,-6.85,;.39,-5.36,;-.38,-2.31,;-1.71,-3.08,;1.48,1.19,;2.97,1.59,;3.37,3.08,;2.28,4.17,;.79,3.77,;.39,2.28,;2.68,5.66,;2.28,7.14,;1.19,6.05,;4.17,6.05,;5.25,4.96,;6.74,5.36,;7.19,6.86,;6.05,7.94,;4.56,7.54,;8.68,7.26,;9.77,6.17,;9.08,8.75,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)OC |r,wD:15.15,(-10.46,-3.08,;-9.13,-2.31,;-7.79,-3.08,;-6.46,-2.31,;-5.13,-3.08,;-3.79,-2.31,;-3.79,-.77,;-2.46,-0,;-1.12,-.77,;.34,-.3,;1.24,-1.54,;.34,-2.79,;.74,-4.27,;2.23,-4.67,;2.62,-6.16,;1.54,-7.25,;1.93,-8.74,;.05,-6.85,;-.35,-5.36,;-1.12,-2.31,;-2.46,-3.08,;.74,1.19,;2.23,1.59,;2.62,3.08,;1.54,4.17,;.05,3.77,;-.35,2.28,;1.93,5.66,;1.54,7.14,;.45,6.05,;3.42,6.05,;4.51,4.96,;6,5.36,;6.45,6.86,;5.31,7.94,;3.82,7.54,;7.94,7.26,;8.34,8.75,;9.03,6.17,;8.63,4.69,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCC(O)=O |r,wD:15.15,(-8.43,-3.43,;-7.1,-2.66,;-5.76,-3.43,;-4.43,-2.66,;-3.09,-3.43,;-1.76,-2.66,;-1.76,-1.12,;-.43,-.35,;.91,-1.12,;2.37,-.64,;3.28,-1.89,;2.37,-3.13,;2.77,-4.62,;4.26,-5.02,;4.66,-6.51,;3.57,-7.59,;3.97,-9.08,;2.08,-7.2,;1.68,-5.71,;.91,-2.66,;-.43,-3.43,;2.77,.85,;4.26,1.25,;4.66,2.73,;3.57,3.82,;2.08,3.42,;1.68,1.94,;3.97,5.31,;2.48,5.71,;3.57,6.8,;5.45,5.71,;6.54,4.62,;8.03,5.02,;8.43,6.51,;9.12,3.93,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCC(=O)NC1CCCC1 |r,wD:15.15,(-10.07,-4.36,;-8.74,-3.59,;-7.41,-4.36,;-6.07,-3.59,;-4.74,-4.36,;-3.4,-3.59,;-3.4,-2.05,;-2.07,-1.28,;-.74,-2.05,;.73,-1.57,;1.63,-2.82,;.73,-4.06,;1.13,-5.55,;2.61,-5.95,;3.01,-7.44,;1.92,-8.53,;2.32,-10.01,;.44,-8.13,;.04,-6.64,;-.74,-3.59,;-2.07,-4.36,;1.13,-.08,;2.61,.31,;3.01,1.8,;1.92,2.89,;.44,2.49,;.04,1,;2.32,4.38,;.83,4.78,;1.92,5.87,;3.81,4.78,;4.21,6.26,;5.7,6.66,;6.78,5.57,;6.09,8.15,;7.58,8.55,;8.06,10.01,;9.6,10.01,;10.07,8.55,;8.83,7.64,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCC(=O)NCC |r,wD:15.15,(-9.03,-4.37,;-7.69,-3.6,;-6.36,-4.37,;-5.03,-3.6,;-3.69,-4.37,;-2.36,-3.6,;-2.36,-2.06,;-1.02,-1.29,;.31,-2.06,;1.77,-1.58,;2.68,-2.83,;1.77,-4.08,;2.17,-5.56,;3.66,-5.96,;4.06,-7.45,;2.97,-8.54,;3.37,-10.03,;1.48,-8.14,;1.08,-6.65,;.31,-3.6,;-1.02,-4.37,;2.17,-.1,;3.66,.3,;4.06,1.79,;2.97,2.88,;1.48,2.48,;1.08,.99,;3.37,4.37,;1.88,4.77,;2.97,5.85,;4.86,4.77,;5.25,6.25,;6.74,6.65,;7.83,5.56,;7.14,8.14,;8.63,8.54,;9.03,10.03,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(C)cc1 |r,wD:15.15,(-8.08,-4.71,;-6.75,-3.94,;-5.42,-4.71,;-4.08,-3.94,;-2.75,-4.71,;-1.42,-3.94,;-1.42,-2.4,;-.08,-1.63,;1.25,-2.4,;2.72,-1.93,;3.62,-3.17,;2.72,-4.42,;3.12,-5.91,;4.6,-6.31,;5,-7.79,;3.91,-8.88,;4.31,-10.37,;2.43,-8.48,;2.03,-7,;1.25,-3.94,;-.08,-4.71,;3.12,-.44,;4.6,-.04,;5,1.45,;3.91,2.53,;2.43,2.14,;2.03,.65,;4.31,4.02,;2.82,4.42,;3.91,5.51,;5.8,4.42,;6.2,5.91,;7.68,6.31,;8.08,7.79,;6.99,8.88,;7.39,10.37,;5.51,8.48,;5.11,7,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)N2CCCC2)cc1 |r,wD:15.15,(-7.87,-3.73,;-6.54,-2.96,;-5.21,-3.73,;-3.87,-2.96,;-2.54,-3.73,;-1.2,-2.96,;-1.2,-1.42,;.13,-.65,;1.46,-1.42,;2.93,-.94,;3.83,-2.19,;2.93,-3.43,;3.33,-4.92,;4.81,-5.32,;5.21,-6.81,;4.12,-7.9,;4.52,-9.38,;2.64,-7.5,;2.24,-6.01,;1.46,-2.96,;.13,-3.73,;3.33,.54,;4.81,.94,;5.21,2.43,;4.12,3.52,;4.52,5.01,;6.01,5.41,;7.1,4.32,;6.41,6.89,;7.87,7.37,;7.87,8.91,;6.41,9.38,;5.5,8.14,;2.64,3.12,;2.24,1.63,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)N2CCCC2)cc1 |r,wU:15.15,(-7.87,-3.73,;-6.54,-2.96,;-5.21,-3.73,;-3.87,-2.96,;-2.54,-3.73,;-1.2,-2.96,;-1.2,-1.42,;.13,-.65,;1.46,-1.42,;2.93,-.94,;3.83,-2.19,;2.93,-3.43,;3.33,-4.92,;2.24,-6.01,;2.64,-7.5,;4.12,-7.9,;4.52,-9.38,;5.21,-6.81,;4.81,-5.32,;1.46,-2.96,;.13,-3.73,;3.33,.54,;4.81,.94,;5.21,2.43,;4.12,3.52,;4.52,5.01,;6.01,5.41,;7.1,4.32,;6.41,6.89,;7.87,7.37,;7.87,8.91,;6.41,9.38,;5.5,8.14,;2.64,3.12,;2.24,1.63,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)N2CCOCC2)cc1 |r,wD:15.15,(-8.08,-3.97,;-6.75,-3.2,;-5.42,-3.97,;-4.08,-3.2,;-2.75,-3.97,;-1.42,-3.2,;-1.42,-1.66,;-.08,-.89,;1.25,-1.66,;2.72,-1.18,;3.62,-2.43,;2.72,-3.68,;3.12,-5.16,;4.6,-5.56,;5,-7.05,;3.91,-8.14,;4.31,-9.63,;2.43,-7.74,;2.03,-6.25,;1.25,-3.2,;-.08,-3.97,;3.12,.3,;4.6,.7,;5,2.19,;3.91,3.28,;4.31,4.77,;5.8,5.16,;6.89,4.08,;6.2,6.65,;7.68,7.05,;8.08,8.54,;6.99,9.63,;5.51,9.23,;5.11,7.74,;2.43,2.88,;2.03,1.39,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)N2CCOCC2)cc1 |r,wU:15.15,(-8.08,-3.97,;-6.75,-3.2,;-5.42,-3.97,;-4.08,-3.2,;-2.75,-3.97,;-1.42,-3.2,;-1.42,-1.66,;-.08,-.89,;1.25,-1.66,;2.72,-1.18,;3.62,-2.43,;2.72,-3.68,;3.12,-5.16,;2.03,-6.25,;2.43,-7.74,;3.91,-8.14,;4.31,-9.63,;5,-7.05,;4.6,-5.56,;1.25,-3.2,;-.08,-3.97,;3.12,.3,;4.6,.7,;5,2.19,;3.91,3.28,;4.31,4.77,;5.8,5.16,;6.89,4.08,;6.2,6.65,;7.68,7.05,;8.08,8.54,;6.99,9.63,;5.51,9.23,;5.11,7.74,;2.43,2.88,;2.03,1.39,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)NCCC)cc1 |r,wD:15.15,(-8.83,-3.63,;-7.49,-2.86,;-6.16,-3.63,;-4.83,-2.86,;-3.49,-3.63,;-2.16,-2.86,;-2.16,-1.32,;-.83,-.55,;.51,-1.32,;1.97,-.84,;2.88,-2.09,;1.97,-3.33,;2.37,-4.82,;3.86,-5.22,;4.26,-6.7,;3.17,-7.79,;3.57,-9.28,;1.68,-7.4,;1.28,-5.91,;.51,-2.86,;-.83,-3.63,;2.37,.65,;3.86,1.05,;4.26,2.53,;3.17,3.62,;3.57,5.11,;5.05,5.51,;6.14,4.42,;5.45,7,;6.94,7.4,;7.34,8.88,;8.83,9.28,;1.68,3.22,;1.28,1.74,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)NCCC)cc1 |r,wU:15.15,(-8.83,-3.63,;-7.49,-2.86,;-6.16,-3.63,;-4.83,-2.86,;-3.49,-3.63,;-2.16,-2.86,;-2.16,-1.32,;-.83,-.55,;.51,-1.32,;1.97,-.84,;2.88,-2.09,;1.97,-3.33,;2.37,-4.82,;1.28,-5.91,;1.68,-7.4,;3.17,-7.79,;3.57,-9.28,;4.26,-6.7,;3.86,-5.22,;.51,-2.86,;-.83,-3.63,;2.37,.65,;3.86,1.05,;4.26,2.53,;3.17,3.62,;3.57,5.11,;5.05,5.51,;6.14,4.42,;5.45,7,;6.94,7.4,;7.34,8.88,;8.83,9.28,;1.68,3.22,;1.28,1.74,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)NC2CCCC2)cc1 |r,wD:15.15,(-9.13,-3.41,;-7.8,-2.64,;-6.46,-3.41,;-5.13,-2.64,;-3.8,-3.41,;-2.46,-2.64,;-2.46,-1.1,;-1.13,-.33,;.21,-1.1,;1.67,-.63,;2.58,-1.87,;1.67,-3.12,;2.07,-4.61,;3.56,-5.01,;3.96,-6.49,;2.87,-7.58,;3.26,-9.07,;1.38,-7.18,;.98,-5.7,;.21,-2.64,;-1.13,-3.41,;2.07,.86,;3.56,1.26,;3.96,2.74,;2.87,3.83,;3.26,5.32,;4.75,5.72,;5.84,4.63,;5.15,7.21,;6.64,7.61,;7.11,9.07,;8.65,9.07,;9.13,7.61,;7.88,6.7,;1.38,3.44,;.98,1.95,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)NC2CCCC2)cc1 |r,wU:15.15,(-9.13,-3.41,;-7.8,-2.64,;-6.46,-3.41,;-5.13,-2.64,;-3.8,-3.41,;-2.46,-2.64,;-2.46,-1.1,;-1.13,-.33,;.21,-1.1,;1.67,-.63,;2.58,-1.87,;1.67,-3.12,;2.07,-4.61,;.98,-5.7,;1.38,-7.18,;2.87,-7.58,;3.26,-9.07,;3.96,-6.49,;3.56,-5.01,;.21,-2.64,;-1.13,-3.41,;2.07,.86,;3.56,1.26,;3.96,2.74,;2.87,3.83,;3.26,5.32,;4.75,5.72,;5.84,4.63,;5.15,7.21,;6.64,7.61,;7.11,9.07,;8.65,9.07,;9.13,7.61,;7.88,6.7,;1.38,3.44,;.98,1.95,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(CC)CC1 |r,wD:15.15,(-7.34,-5.06,;-6.01,-4.29,;-4.67,-5.06,;-3.34,-4.29,;-2,-5.06,;-.67,-4.29,;-.67,-2.75,;.66,-1.98,;2,-2.75,;3.46,-2.27,;4.37,-3.52,;3.46,-4.77,;3.86,-6.25,;5.35,-6.65,;5.75,-8.14,;4.66,-9.23,;5.05,-10.72,;3.17,-8.83,;2.77,-7.34,;2,-4.29,;.66,-5.06,;3.86,-.79,;5.35,-.39,;5.75,1.1,;4.66,2.19,;3.17,1.79,;2.77,.3,;5.05,3.68,;3.57,4.08,;6.54,3.28,;5.45,5.16,;6.94,5.56,;7.34,7.05,;6.25,8.14,;6.65,9.63,;5.56,10.72,;4.76,7.74,;4.36,6.25,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCCN(CC)CC1 |r,wD:15.15,(-7.48,-5.3,;-6.15,-4.53,;-4.81,-5.3,;-3.48,-4.53,;-2.15,-5.3,;-.81,-4.53,;-.81,-2.99,;.52,-2.22,;1.85,-2.99,;3.32,-2.52,;4.22,-3.76,;3.32,-5.01,;3.72,-6.5,;5.21,-6.89,;5.6,-8.38,;4.51,-9.47,;4.91,-10.96,;3.03,-9.07,;2.63,-7.58,;1.85,-4.53,;.52,-5.3,;3.72,-1.03,;5.21,-.63,;5.6,.86,;4.51,1.95,;3.03,1.55,;2.63,.06,;4.91,3.43,;3.43,3.83,;6.4,3.04,;5.31,4.92,;6.81,5.26,;7.48,6.65,;6.81,8.04,;5.31,8.38,;4.91,9.87,;6,10.96,;4.11,7.42,;4.11,5.88,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCCCC1 |r,wD:15.15,(-7.94,-6,;-6.6,-5.23,;-5.27,-6,;-3.94,-5.23,;-2.6,-6,;-1.27,-5.23,;-1.27,-3.69,;.06,-2.92,;1.4,-3.69,;2.86,-3.22,;3.77,-4.46,;2.86,-5.71,;3.26,-7.2,;4.75,-7.59,;5.15,-9.08,;4.06,-10.17,;4.46,-11.66,;2.57,-9.77,;2.17,-8.29,;1.4,-5.23,;.06,-6,;3.26,-1.73,;4.75,-1.33,;5.15,.16,;4.06,1.25,;2.57,.85,;2.17,-.64,;4.46,2.73,;2.97,3.13,;5.94,2.33,;4.86,4.22,;6.34,4.62,;6.74,6.11,;5.65,7.2,;4.17,6.8,;3.77,5.31,;6.05,8.68,;7.54,9.08,;7.94,10.57,;6.85,11.66,;5.36,11.26,;4.96,9.77,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCOCC1 |r,wD:15.15,(-7.94,-6,;-6.6,-5.23,;-5.27,-6,;-3.94,-5.23,;-2.6,-6,;-1.27,-5.23,;-1.27,-3.69,;.06,-2.92,;1.4,-3.69,;2.86,-3.22,;3.77,-4.46,;2.86,-5.71,;3.26,-7.2,;4.75,-7.59,;5.15,-9.08,;4.06,-10.17,;4.46,-11.66,;2.57,-9.77,;2.17,-8.29,;1.4,-5.23,;.06,-6,;3.26,-1.73,;4.75,-1.33,;5.15,.16,;4.06,1.25,;2.57,.85,;2.17,-.64,;4.46,2.73,;2.97,3.13,;5.94,2.33,;4.86,4.22,;6.34,4.62,;6.74,6.11,;5.65,7.2,;4.17,6.8,;3.77,5.31,;6.05,8.68,;7.54,9.08,;7.94,10.57,;6.85,11.66,;5.36,11.26,;4.96,9.77,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)C(C)(C)C |r,wD:15.15,(-7.14,-3.57,;-5.81,-2.8,;-4.47,-3.57,;-3.14,-2.8,;-1.81,-3.57,;-.47,-2.8,;-.47,-1.26,;.86,-.49,;2.2,-1.26,;3.66,-.79,;4.57,-2.03,;3.66,-3.28,;4.06,-4.77,;5.55,-5.17,;5.94,-6.65,;4.86,-7.74,;5.25,-9.23,;3.37,-7.34,;2.97,-5.86,;2.2,-2.8,;.86,-3.57,;4.06,.7,;5.55,1.1,;5.94,2.59,;4.86,3.67,;3.37,3.28,;2.97,1.79,;5.25,5.16,;3.77,5.56,;6.74,4.76,;5.65,6.65,;7.14,7.05,;4.56,7.74,;4.95,9.23,;6.05,8.14,;3.08,7.34,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)C |r,wD:15.15,(-7.14,-2.83,;-5.81,-2.06,;-4.47,-2.83,;-3.14,-2.06,;-1.81,-2.83,;-.47,-2.06,;-.47,-.52,;.86,.25,;2.2,-.52,;3.66,-.04,;4.57,-1.29,;3.66,-2.53,;4.06,-4.02,;5.55,-4.42,;5.94,-5.91,;4.86,-7,;5.25,-8.48,;3.37,-6.6,;2.97,-5.11,;2.2,-2.06,;.86,-2.83,;4.06,1.45,;5.55,1.84,;5.94,3.33,;4.86,4.42,;3.37,4.02,;2.97,2.53,;5.25,5.91,;3.77,6.31,;6.74,5.51,;5.65,7.4,;7.14,7.79,;4.56,8.48,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCC1 |r,wD:15.15,(-7.06,-3.34,;-5.73,-2.57,;-4.4,-3.34,;-3.06,-2.57,;-1.73,-3.34,;-.4,-2.57,;-.4,-1.03,;.94,-.26,;2.27,-1.03,;3.74,-.55,;4.64,-1.8,;3.74,-3.04,;4.14,-4.53,;5.62,-4.93,;6.02,-6.42,;4.93,-7.5,;5.33,-8.99,;3.45,-7.11,;3.05,-5.62,;2.27,-2.57,;.94,-3.34,;4.14,.94,;5.62,1.34,;6.02,2.82,;4.93,3.91,;3.45,3.51,;3.05,2.03,;5.33,5.4,;3.84,5.8,;6.82,5,;5.73,6.89,;7.06,7.66,;6.29,8.99,;4.96,8.22,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(N2CCOCC2)c(F)c1 |r,wD:15.15,(-7.29,-3.03,;-5.95,-2.26,;-4.62,-3.03,;-3.29,-2.26,;-1.95,-3.03,;-.62,-2.26,;-.62,-.72,;.72,.05,;2.05,-.72,;3.51,-.24,;4.42,-1.49,;3.51,-2.73,;3.91,-4.22,;5.4,-4.62,;5.8,-6.11,;4.71,-7.2,;5.11,-8.68,;3.22,-6.8,;2.82,-5.31,;2.05,-2.26,;.72,-3.03,;3.91,1.25,;2.82,2.33,;3.22,3.82,;4.71,4.22,;5.11,5.71,;6.6,6.11,;6.99,7.59,;5.91,8.68,;4.42,8.29,;4.02,6.8,;5.8,3.13,;7.29,3.53,;5.4,1.64,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCC(N)CC1 |r,wD:15.15,(-7.34,-4.52,;-6.01,-3.75,;-4.67,-4.52,;-3.34,-3.75,;-2,-4.52,;-.67,-3.75,;-.67,-2.21,;.66,-1.44,;2,-2.21,;3.46,-1.73,;4.37,-2.98,;3.46,-4.22,;3.86,-5.71,;5.35,-6.11,;5.75,-7.59,;4.66,-8.68,;5.05,-10.17,;3.17,-8.29,;2.77,-6.8,;2,-3.75,;.66,-4.52,;3.86,-.24,;5.35,.16,;5.75,1.64,;4.66,2.73,;3.17,2.33,;2.77,.85,;5.05,4.22,;3.57,4.62,;6.54,3.82,;5.45,5.71,;6.94,6.11,;7.34,7.59,;6.25,8.68,;6.65,10.17,;4.76,8.29,;4.36,6.8,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCCN1CCCC1 |r,wD:15.15,(-10.07,-4.36,;-8.74,-3.59,;-7.41,-4.36,;-6.07,-3.59,;-4.74,-4.36,;-3.4,-3.59,;-3.4,-2.05,;-2.07,-1.28,;-.74,-2.05,;.73,-1.57,;1.63,-2.82,;.73,-4.06,;1.13,-5.55,;2.61,-5.95,;3.01,-7.44,;1.92,-8.53,;2.32,-10.01,;.44,-8.13,;.04,-6.64,;-.74,-3.59,;-2.07,-4.36,;1.13,-.08,;2.61,.31,;3.01,1.8,;1.92,2.89,;.44,2.49,;.04,1,;2.32,4.38,;.83,4.78,;1.92,5.87,;3.81,4.78,;4.21,6.26,;5.7,6.66,;6.09,8.15,;7.58,8.55,;8.06,10.01,;9.6,10.01,;10.07,8.55,;8.83,7.64,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCC(=O)NCCC1CCOCC1 |r,wD:15.15,(-11.26,-5.51,;-9.92,-4.74,;-8.59,-5.51,;-7.26,-4.74,;-5.92,-5.51,;-4.59,-4.74,;-4.59,-3.2,;-3.26,-2.43,;-1.92,-3.2,;-.46,-2.73,;.45,-3.97,;-.46,-5.22,;-.06,-6.7,;1.43,-7.1,;1.83,-8.59,;.74,-9.68,;1.14,-11.17,;-.75,-9.28,;-1.15,-7.79,;-1.92,-4.74,;-3.26,-5.51,;-.06,-1.24,;1.43,-.84,;1.83,.65,;.74,1.74,;-.75,1.34,;-1.15,-.15,;1.14,3.22,;-.35,3.62,;.74,4.71,;2.62,3.62,;3.02,5.11,;4.51,5.51,;5.6,4.42,;4.91,7,;6.4,7.4,;6.8,8.88,;8.28,9.28,;9.37,8.19,;10.86,8.59,;11.26,10.08,;10.17,11.17,;8.68,10.77,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCC(=O)NC1CC1 |r,wD:15.15,(-9.57,-4.17,;-8.24,-3.4,;-6.9,-4.17,;-5.57,-3.4,;-4.24,-4.17,;-2.9,-3.4,;-2.9,-1.86,;-1.57,-1.09,;-.24,-1.86,;1.23,-1.38,;2.13,-2.63,;1.23,-3.88,;1.63,-5.36,;3.12,-5.76,;3.51,-7.25,;2.43,-8.34,;2.82,-9.83,;.94,-7.94,;.54,-6.45,;-.24,-3.4,;-1.57,-4.17,;1.63,.1,;3.12,.5,;3.51,1.99,;2.43,3.08,;.94,2.68,;.54,1.19,;2.82,4.57,;1.34,4.96,;2.43,6.05,;4.31,4.96,;4.71,6.45,;6.2,6.85,;7.29,5.76,;6.6,8.34,;8.08,8.74,;9.57,8.34,;9.17,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(=O)NC1CCN(C)CC1 |r,wD:15.15,(-9.97,-6.6,;-8.64,-5.83,;-7.3,-6.6,;-5.97,-5.83,;-4.63,-6.6,;-3.3,-5.83,;-3.3,-4.29,;-1.97,-3.52,;-.63,-4.29,;.83,-3.81,;1.74,-5.06,;.83,-6.31,;1.23,-7.79,;2.72,-8.19,;3.12,-9.68,;2.03,-10.77,;2.43,-12.26,;.54,-10.37,;.14,-8.88,;-.63,-5.83,;-1.97,-6.6,;1.23,-2.33,;2.72,-1.93,;3.12,-.44,;2.03,.65,;.54,.25,;.14,-1.24,;2.43,2.14,;.94,2.53,;2.03,3.62,;3.91,2.53,;4.31,4.02,;5.8,4.42,;6.2,5.91,;5.11,7,;7.68,6.31,;8.08,7.79,;9.57,8.19,;9.97,9.68,;8.88,10.77,;9.28,12.26,;7.39,10.37,;6.99,8.88,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(=O)NC1CCN(C)CC1 |r,wU:15.15,(-9.97,-6.6,;-8.64,-5.83,;-7.3,-6.6,;-5.97,-5.83,;-4.63,-6.6,;-3.3,-5.83,;-3.3,-4.29,;-1.97,-3.52,;-.63,-4.29,;.83,-3.81,;1.74,-5.06,;.83,-6.31,;1.23,-7.79,;.14,-8.88,;.54,-10.37,;2.03,-10.77,;2.43,-12.26,;3.12,-9.68,;2.72,-8.19,;-.63,-5.83,;-1.97,-6.6,;1.23,-2.33,;2.72,-1.93,;3.12,-.44,;2.03,.65,;.54,.25,;.14,-1.24,;2.43,2.14,;.94,2.53,;2.03,3.62,;3.91,2.53,;4.31,4.02,;5.8,4.42,;6.2,5.91,;5.11,7,;7.68,6.31,;8.08,7.79,;9.57,8.19,;9.97,9.68,;8.88,10.77,;9.28,12.26,;7.39,10.37,;6.99,8.88,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(=O)NCCCN1CCOCC1 |r,wD:15.15,(-12.2,-6.45,;-10.87,-5.68,;-9.53,-6.45,;-8.2,-5.68,;-6.87,-6.45,;-5.53,-5.68,;-5.53,-4.14,;-4.2,-3.37,;-2.87,-4.14,;-1.4,-3.67,;-.5,-4.91,;-1.4,-6.16,;-1,-7.65,;.49,-8.05,;.88,-9.53,;-.2,-10.62,;.19,-12.11,;-1.69,-10.22,;-2.09,-8.74,;-2.87,-5.68,;-4.2,-6.45,;-1,-2.18,;.49,-1.78,;.88,-.29,;-.2,.79,;-1.69,.4,;-2.09,-1.09,;.19,2.28,;-1.29,2.68,;-.2,3.77,;1.68,2.68,;2.08,4.17,;3.57,4.57,;3.97,6.05,;2.88,7.14,;5.45,6.45,;5.85,7.94,;7.34,8.34,;7.74,9.83,;9.23,10.22,;10.31,9.14,;11.8,9.53,;12.2,11.02,;11.11,12.11,;9.62,11.71,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(=O)NCCCN1CCOCC1 |r,wU:15.15,(-12.2,-6.45,;-10.87,-5.68,;-9.53,-6.45,;-8.2,-5.68,;-6.87,-6.45,;-5.53,-5.68,;-5.53,-4.14,;-4.2,-3.37,;-2.87,-4.14,;-1.4,-3.67,;-.5,-4.91,;-1.4,-6.16,;-1,-7.65,;-2.09,-8.74,;-1.69,-10.22,;-.2,-10.62,;.19,-12.11,;.88,-9.53,;.49,-8.05,;-2.87,-5.68,;-4.2,-6.45,;-1,-2.18,;.49,-1.78,;.88,-.29,;-.2,.79,;-1.69,.4,;-2.09,-1.09,;.19,2.28,;-1.29,2.68,;-.2,3.77,;1.68,2.68,;2.08,4.17,;3.57,4.57,;3.97,6.05,;2.88,7.14,;5.45,6.45,;5.85,7.94,;7.34,8.34,;7.74,9.83,;9.23,10.22,;10.31,9.14,;11.8,9.53,;12.2,11.02,;11.11,12.11,;9.62,11.71,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(=O)NC1CCCCC1 |r,wD:15.15,(-9.97,-5.86,;-8.64,-5.09,;-7.3,-5.86,;-5.97,-5.09,;-4.63,-5.86,;-3.3,-5.09,;-3.3,-3.55,;-1.97,-2.78,;-.63,-3.55,;.83,-3.07,;1.74,-4.32,;.83,-5.56,;1.23,-7.05,;2.72,-7.45,;3.12,-8.94,;2.03,-10.03,;2.43,-11.51,;.54,-9.63,;.14,-8.14,;-.63,-5.09,;-1.97,-5.86,;1.23,-1.58,;2.72,-1.18,;3.12,.3,;2.03,1.39,;.54,.99,;.14,-.49,;2.43,2.88,;.94,3.28,;2.03,4.37,;3.91,3.28,;4.31,4.77,;5.8,5.16,;6.2,6.65,;5.11,7.74,;7.68,7.05,;8.08,8.54,;9.57,8.94,;9.97,10.42,;8.88,11.51,;7.39,11.11,;6.99,9.63,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(=O)NC1CCCCC1 |r,wU:15.15,(-9.97,-5.86,;-8.64,-5.09,;-7.3,-5.86,;-5.97,-5.09,;-4.63,-5.86,;-3.3,-5.09,;-3.3,-3.55,;-1.97,-2.78,;-.63,-3.55,;.83,-3.07,;1.74,-4.32,;.83,-5.56,;1.23,-7.05,;.14,-8.14,;.54,-9.63,;2.03,-10.03,;2.43,-11.51,;3.12,-8.94,;2.72,-7.45,;-.63,-5.09,;-1.97,-5.86,;1.23,-1.58,;2.72,-1.18,;3.12,.3,;2.03,1.39,;.54,.99,;.14,-.49,;2.43,2.88,;.94,3.28,;2.03,4.37,;3.91,3.28,;4.31,4.77,;5.8,5.16,;6.2,6.65,;5.11,7.74,;7.68,7.05,;8.08,8.54,;9.57,8.94,;9.97,10.42,;8.88,11.51,;7.39,11.11,;6.99,9.63,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(N)cc1 |r,wD:15.15,(-6.54,-1.54,;-5.21,-.77,;-3.88,-1.54,;-2.54,-.77,;-1.21,-1.54,;.13,-.77,;.13,.77,;1.46,1.54,;2.79,.77,;4.26,1.25,;5.16,,;4.26,-1.25,;4.66,-2.73,;6.14,-3.13,;6.54,-4.62,;5.45,-5.71,;5.85,-7.2,;3.97,-5.31,;3.57,-3.82,;2.79,-.77,;1.46,-1.54,;4.66,2.73,;6.14,3.13,;6.54,4.62,;5.45,5.71,;5.85,7.2,;3.97,5.31,;3.57,3.82,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(N)cc1 |r,wU:15.15,(-6.54,-1.54,;-5.21,-.77,;-3.88,-1.54,;-2.54,-.77,;-1.21,-1.54,;.13,-.77,;.13,.77,;1.46,1.54,;2.79,.77,;4.26,1.25,;5.16,,;4.26,-1.25,;4.66,-2.73,;3.57,-3.82,;3.97,-5.31,;5.45,-5.71,;5.85,-7.2,;6.54,-4.62,;6.14,-3.13,;2.79,-.77,;1.46,-1.54,;4.66,2.73,;6.14,3.13,;6.54,4.62,;5.45,5.71,;5.85,7.2,;3.97,5.31,;3.57,3.82,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(O)=O |r,wD:15.15,(-8.83,-3.97,;-7.49,-3.2,;-6.16,-3.97,;-4.83,-3.2,;-3.49,-3.97,;-2.16,-3.2,;-2.16,-1.66,;-.83,-.89,;.51,-1.66,;1.97,-1.18,;2.88,-2.43,;1.97,-3.68,;2.37,-5.16,;3.86,-5.56,;4.26,-7.05,;3.17,-8.14,;3.57,-9.63,;1.68,-7.74,;1.28,-6.25,;.51,-3.2,;-.83,-3.97,;2.37,.3,;3.86,.7,;4.26,2.19,;3.17,3.28,;1.68,2.88,;1.28,1.39,;3.57,4.77,;2.08,5.16,;3.17,6.25,;5.05,5.16,;5.45,6.65,;6.94,7.05,;7.34,8.54,;8.83,8.94,;6.25,9.63,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(=O)N1CCOCC1 |r,wD:15.15,(-10.31,-4.57,;-8.98,-3.8,;-7.65,-4.57,;-6.31,-3.8,;-4.98,-4.57,;-3.65,-3.8,;-3.65,-2.26,;-2.31,-1.49,;-.98,-2.26,;.49,-1.78,;1.39,-3.03,;.49,-4.27,;.88,-5.76,;2.37,-6.16,;2.77,-7.65,;1.68,-8.74,;2.08,-10.22,;.19,-8.34,;-.2,-6.85,;-.98,-3.8,;-2.31,-4.57,;.88,-.3,;2.37,.1,;2.77,1.59,;1.68,2.68,;.19,2.28,;-.2,.79,;2.08,4.17,;.59,4.57,;1.68,5.66,;3.57,4.57,;3.97,6.05,;5.45,6.45,;5.85,7.94,;4.76,9.03,;7.34,8.34,;8.43,7.25,;9.92,7.65,;10.31,9.14,;9.23,10.22,;7.74,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(=O)N1CCOCC1 |r,wU:15.15,(-10.31,-4.57,;-8.98,-3.8,;-7.65,-4.57,;-6.31,-3.8,;-4.98,-4.57,;-3.65,-3.8,;-3.65,-2.26,;-2.31,-1.49,;-.98,-2.26,;.49,-1.78,;1.39,-3.03,;.49,-4.27,;.88,-5.76,;-.2,-6.85,;.19,-8.34,;1.68,-8.74,;2.08,-10.22,;2.77,-7.65,;2.37,-6.16,;-.98,-3.8,;-2.31,-4.57,;.88,-.3,;2.37,.1,;2.77,1.59,;1.68,2.68,;.19,2.28,;-.2,.79,;2.08,4.17,;.59,4.57,;1.68,5.66,;3.57,4.57,;3.97,6.05,;5.45,6.45,;5.85,7.94,;4.76,9.03,;7.34,8.34,;8.43,7.25,;9.92,7.65,;10.31,9.14,;9.23,10.22,;7.74,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(=O)N1CCCCC1 |r,wD:15.15,(-10.31,-4.57,;-8.98,-3.8,;-7.65,-4.57,;-6.31,-3.8,;-4.98,-4.57,;-3.65,-3.8,;-3.65,-2.26,;-2.31,-1.49,;-.98,-2.26,;.49,-1.78,;1.39,-3.03,;.49,-4.27,;.88,-5.76,;2.37,-6.16,;2.77,-7.65,;1.68,-8.74,;2.08,-10.22,;.19,-8.34,;-.2,-6.85,;-.98,-3.8,;-2.31,-4.57,;.88,-.3,;2.37,.1,;2.77,1.59,;1.68,2.68,;.19,2.28,;-.2,.79,;2.08,4.17,;.59,4.57,;1.68,5.66,;3.57,4.57,;3.97,6.05,;5.45,6.45,;5.85,7.94,;4.76,9.03,;7.34,8.34,;8.43,7.25,;9.92,7.65,;10.31,9.14,;9.23,10.22,;7.74,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(=O)N1CCCCC1 |r,wU:15.15,(-10.31,-4.57,;-8.98,-3.8,;-7.65,-4.57,;-6.31,-3.8,;-4.98,-4.57,;-3.65,-3.8,;-3.65,-2.26,;-2.31,-1.49,;-.98,-2.26,;.49,-1.78,;1.39,-3.03,;.49,-4.27,;.88,-5.76,;-.2,-6.85,;.19,-8.34,;1.68,-8.74,;2.08,-10.22,;2.77,-7.65,;2.37,-6.16,;-.98,-3.8,;-2.31,-4.57,;.88,-.3,;2.37,.1,;2.77,1.59,;1.68,2.68,;.19,2.28,;-.2,.79,;2.08,4.17,;.59,4.57,;1.68,5.66,;3.57,4.57,;3.97,6.05,;5.45,6.45,;5.85,7.94,;4.76,9.03,;7.34,8.34,;8.43,7.25,;9.92,7.65,;10.31,9.14,;9.23,10.22,;7.74,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)c2ccc(F)cc2)cc1 |r,wD:15.15,(-8.08,-4.71,;-6.75,-3.94,;-5.42,-4.71,;-4.08,-3.94,;-2.75,-4.71,;-1.42,-3.94,;-1.42,-2.4,;-.08,-1.63,;1.25,-2.4,;2.72,-1.93,;3.62,-3.17,;2.72,-4.42,;3.12,-5.91,;4.6,-6.31,;5,-7.79,;3.91,-8.88,;4.31,-10.37,;2.43,-8.48,;2.03,-7,;1.25,-3.94,;-.08,-4.71,;3.12,-.44,;4.6,-.04,;5,1.45,;3.91,2.53,;4.31,4.02,;5.8,4.42,;6.89,3.33,;6.2,5.91,;7.68,6.31,;8.08,7.79,;6.99,8.88,;7.39,10.37,;5.51,8.48,;5.11,7,;2.43,2.14,;2.03,.65,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)c2ccc(F)cc2)cc1 |r,wU:15.15,(-8.08,-4.71,;-6.75,-3.94,;-5.42,-4.71,;-4.08,-3.94,;-2.75,-4.71,;-1.42,-3.94,;-1.42,-2.4,;-.08,-1.63,;1.25,-2.4,;2.72,-1.93,;3.62,-3.17,;2.72,-4.42,;3.12,-5.91,;2.03,-7,;2.43,-8.48,;3.91,-8.88,;4.31,-10.37,;5,-7.79,;4.6,-6.31,;1.25,-3.94,;-.08,-4.71,;3.12,-.44,;4.6,-.04,;5,1.45,;3.91,2.53,;4.31,4.02,;5.8,4.42,;6.89,3.33,;6.2,5.91,;7.68,6.31,;8.08,7.79,;6.99,8.88,;7.39,10.37,;5.51,8.48,;5.11,7,;2.43,2.14,;2.03,.65,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)C2CCCC2)cc1 |r,wD:15.15,(-7.87,-3.73,;-6.54,-2.96,;-5.21,-3.73,;-3.87,-2.96,;-2.54,-3.73,;-1.2,-2.96,;-1.2,-1.42,;.13,-.65,;1.46,-1.42,;2.93,-.94,;3.83,-2.19,;2.93,-3.43,;3.33,-4.92,;4.81,-5.32,;5.21,-6.81,;4.12,-7.9,;4.52,-9.38,;2.64,-7.5,;2.24,-6.01,;1.46,-2.96,;.13,-3.73,;3.33,.54,;4.81,.94,;5.21,2.43,;4.12,3.52,;4.52,5.01,;6.01,5.41,;7.1,4.32,;6.41,6.89,;7.87,7.37,;7.87,8.91,;6.41,9.38,;5.5,8.14,;2.64,3.12,;2.24,1.63,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)C2CCCC2)cc1 |r,wU:15.15,(-7.87,-3.73,;-6.54,-2.96,;-5.21,-3.73,;-3.87,-2.96,;-2.54,-3.73,;-1.2,-2.96,;-1.2,-1.42,;.13,-.65,;1.46,-1.42,;2.93,-.94,;3.83,-2.19,;2.93,-3.43,;3.33,-4.92,;2.24,-6.01,;2.64,-7.5,;4.12,-7.9,;4.52,-9.38,;5.21,-6.81,;4.81,-5.32,;1.46,-2.96,;.13,-3.73,;3.33,.54,;4.81,.94,;5.21,2.43,;4.12,3.52,;4.52,5.01,;6.01,5.41,;7.1,4.32,;6.41,6.89,;7.87,7.37,;7.87,8.91,;6.41,9.38,;5.5,8.14,;2.64,3.12,;2.24,1.63,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)C2CC2)cc1 |r,wD:15.15,(-7.68,-3.23,;-6.35,-2.46,;-5.02,-3.23,;-3.68,-2.46,;-2.35,-3.23,;-1.02,-2.46,;-1.02,-.92,;.32,-.15,;1.65,-.92,;3.12,-.44,;4.02,-1.69,;3.12,-2.93,;3.51,-4.42,;5,-4.82,;5.4,-6.31,;4.31,-7.4,;4.71,-8.88,;2.82,-7,;2.43,-5.51,;1.65,-2.46,;.32,-3.23,;3.51,1.05,;5,1.45,;5.4,2.93,;4.31,4.02,;4.71,5.51,;6.2,5.91,;7.29,4.82,;6.6,7.4,;7.68,8.48,;6.2,8.88,;2.82,3.62,;2.43,2.14,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)C2CC2)cc1 |r,wU:15.15,(-7.68,-3.23,;-6.35,-2.46,;-5.02,-3.23,;-3.68,-2.46,;-2.35,-3.23,;-1.02,-2.46,;-1.02,-.92,;.32,-.15,;1.65,-.92,;3.12,-.44,;4.02,-1.69,;3.12,-2.93,;3.51,-4.42,;2.43,-5.51,;2.82,-7,;4.31,-7.4,;4.71,-8.88,;5.4,-6.31,;5,-4.82,;1.65,-2.46,;.32,-3.23,;3.51,1.05,;5,1.45,;5.4,2.93,;4.31,4.02,;4.71,5.51,;6.2,5.91,;7.29,4.82,;6.6,7.4,;7.68,8.48,;6.2,8.88,;2.82,3.62,;2.43,2.14,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCCOCC |r,wD:15.15,(-10.57,-7.54,;-9.23,-6.77,;-7.9,-7.54,;-6.57,-6.77,;-5.23,-7.54,;-3.9,-6.77,;-3.9,-5.23,;-2.57,-4.46,;-1.23,-5.23,;.23,-4.76,;1.14,-6,;.23,-7.25,;.63,-8.74,;2.12,-9.14,;2.52,-10.62,;1.43,-11.71,;1.83,-13.2,;-.06,-11.31,;-.46,-9.83,;-1.23,-6.77,;-2.57,-7.54,;.63,-3.27,;2.12,-2.87,;2.52,-1.38,;1.43,-.29,;-.06,-.69,;-.46,-2.18,;1.83,1.19,;.29,1.19,;1.06,2.53,;3.31,1.59,;4.4,.5,;3.71,3.08,;5.2,3.48,;5.6,4.96,;4.51,6.05,;3.02,5.66,;2.62,4.17,;4.91,7.54,;3.82,8.63,;6.4,7.94,;6.8,9.43,;8.28,9.83,;8.68,11.31,;10.17,11.71,;10.57,13.2,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCCOCC |r,wU:15.15,(-10.57,-7.54,;-9.23,-6.77,;-7.9,-7.54,;-6.57,-6.77,;-5.23,-7.54,;-3.9,-6.77,;-3.9,-5.23,;-2.57,-4.46,;-1.23,-5.23,;.23,-4.76,;1.14,-6,;.23,-7.25,;.63,-8.74,;-.46,-9.83,;-.06,-11.31,;1.43,-11.71,;1.83,-13.2,;2.52,-10.62,;2.12,-9.14,;-1.23,-6.77,;-2.57,-7.54,;.63,-3.27,;2.12,-2.87,;2.52,-1.38,;1.43,-.29,;-.06,-.69,;-.46,-2.18,;1.83,1.19,;.29,1.19,;1.06,2.53,;3.31,1.59,;4.4,.5,;3.71,3.08,;5.2,3.48,;5.6,4.96,;4.51,6.05,;3.02,5.66,;2.62,4.17,;4.91,7.54,;3.82,8.63,;6.4,7.94,;6.8,9.43,;8.28,9.83,;8.68,11.31,;10.17,11.71,;10.57,13.2,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCCCOC |r,wD:15.15,(-10.57,-7.54,;-9.23,-6.77,;-7.9,-7.54,;-6.57,-6.77,;-5.23,-7.54,;-3.9,-6.77,;-3.9,-5.23,;-2.57,-4.46,;-1.23,-5.23,;.23,-4.76,;1.14,-6,;.23,-7.25,;.63,-8.74,;2.12,-9.14,;2.52,-10.62,;1.43,-11.71,;1.83,-13.2,;-.06,-11.31,;-.46,-9.83,;-1.23,-6.77,;-2.57,-7.54,;.63,-3.27,;2.12,-2.87,;2.52,-1.38,;1.43,-.29,;-.06,-.69,;-.46,-2.18,;1.83,1.19,;.29,1.19,;1.06,2.53,;3.31,1.59,;4.4,.5,;3.71,3.08,;5.2,3.48,;5.6,4.96,;4.51,6.05,;3.02,5.66,;2.62,4.17,;4.91,7.54,;3.82,8.63,;6.4,7.94,;6.8,9.43,;8.28,9.83,;8.68,11.31,;10.17,11.71,;10.57,13.2,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCCCOC |r,wU:15.15,(-10.57,-7.54,;-9.23,-6.77,;-7.9,-7.54,;-6.57,-6.77,;-5.23,-7.54,;-3.9,-6.77,;-3.9,-5.23,;-2.57,-4.46,;-1.23,-5.23,;.23,-4.76,;1.14,-6,;.23,-7.25,;.63,-8.74,;-.46,-9.83,;-.06,-11.31,;1.43,-11.71,;1.83,-13.2,;2.52,-10.62,;2.12,-9.14,;-1.23,-6.77,;-2.57,-7.54,;.63,-3.27,;2.12,-2.87,;2.52,-1.38,;1.43,-.29,;-.06,-.69,;-.46,-2.18,;1.83,1.19,;.29,1.19,;1.06,2.53,;3.31,1.59,;4.4,.5,;3.71,3.08,;5.2,3.48,;5.6,4.96,;4.51,6.05,;3.02,5.66,;2.62,4.17,;4.91,7.54,;3.82,8.63,;6.4,7.94,;6.8,9.43,;8.28,9.83,;8.68,11.31,;10.17,11.71,;10.57,13.2,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCCC(F)(F)F |r,wD:15.15,(-10.44,-7.42,;-9.11,-6.65,;-7.78,-7.42,;-6.44,-6.65,;-5.11,-7.42,;-3.78,-6.65,;-3.78,-5.11,;-2.44,-4.34,;-1.11,-5.11,;.36,-4.64,;1.26,-5.88,;.36,-7.13,;.75,-8.61,;2.24,-9.01,;2.64,-10.5,;1.55,-11.59,;1.95,-13.08,;.06,-11.19,;-.34,-9.7,;-1.11,-6.65,;-2.44,-7.42,;.75,-3.15,;2.24,-2.75,;2.64,-1.26,;1.55,-.17,;.06,-.57,;-.34,-2.06,;1.95,1.31,;.41,1.31,;1.18,2.65,;3.44,1.71,;4.53,.62,;3.84,3.2,;5.32,3.6,;5.72,5.09,;4.63,6.18,;3.15,5.78,;2.75,4.29,;5.03,7.66,;3.94,8.75,;6.52,8.06,;6.92,9.55,;8.4,9.95,;9.49,8.86,;10.58,7.77,;8.4,7.77,;10.58,9.95,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCCC(F)(F)F |r,wU:15.15,(-10.44,-7.42,;-9.11,-6.65,;-7.78,-7.42,;-6.44,-6.65,;-5.11,-7.42,;-3.78,-6.65,;-3.78,-5.11,;-2.44,-4.34,;-1.11,-5.11,;.36,-4.64,;1.26,-5.88,;.36,-7.13,;.75,-8.61,;-.34,-9.7,;.06,-11.19,;1.55,-11.59,;1.95,-13.08,;2.64,-10.5,;2.24,-9.01,;-1.11,-6.65,;-2.44,-7.42,;.75,-3.15,;2.24,-2.75,;2.64,-1.26,;1.55,-.17,;.06,-.57,;-.34,-2.06,;1.95,1.31,;.41,1.31,;1.18,2.65,;3.44,1.71,;4.53,.62,;3.84,3.2,;5.32,3.6,;5.72,5.09,;4.63,6.18,;3.15,5.78,;2.75,4.29,;5.03,7.66,;3.94,8.75,;6.52,8.06,;6.92,9.55,;8.4,9.95,;9.49,8.86,;10.58,7.77,;8.4,7.77,;10.58,9.95,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCc1ccc(F)cc1 |r,wD:15.15,(-11.66,-6.8,;-10.32,-6.03,;-8.99,-6.8,;-7.66,-6.03,;-6.32,-6.8,;-4.99,-6.03,;-4.99,-4.49,;-3.65,-3.72,;-2.32,-4.49,;-.86,-4.01,;.05,-5.26,;-.86,-6.51,;-.46,-7.99,;1.03,-8.39,;1.43,-9.88,;.34,-10.97,;.74,-12.46,;-1.15,-10.57,;-1.55,-9.08,;-2.32,-6.03,;-3.65,-6.8,;-.46,-2.53,;1.03,-2.13,;1.43,-.64,;.34,.45,;-1.15,.05,;-1.55,-1.44,;.74,1.94,;-.8,1.94,;-.03,3.27,;2.23,2.33,;3.31,1.25,;2.62,3.82,;4.11,4.22,;4.51,5.71,;3.42,6.8,;1.93,6.4,;1.54,4.91,;3.82,8.28,;2.73,9.37,;5.31,8.68,;5.71,10.17,;7.19,10.57,;8.28,9.48,;9.77,9.88,;10.17,11.37,;11.66,11.77,;9.08,12.46,;7.59,12.06,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCc1ccc(F)cc1 |r,wU:15.15,(-11.66,-6.8,;-10.32,-6.03,;-8.99,-6.8,;-7.66,-6.03,;-6.32,-6.8,;-4.99,-6.03,;-4.99,-4.49,;-3.65,-3.72,;-2.32,-4.49,;-.86,-4.01,;.05,-5.26,;-.86,-6.51,;-.46,-7.99,;-1.55,-9.08,;-1.15,-10.57,;.34,-10.97,;.74,-12.46,;1.43,-9.88,;1.03,-8.39,;-2.32,-6.03,;-3.65,-6.8,;-.46,-2.53,;1.03,-2.13,;1.43,-.64,;.34,.45,;-1.15,.05,;-1.55,-1.44,;.74,1.94,;-.8,1.94,;-.03,3.27,;2.23,2.33,;3.31,1.25,;2.62,3.82,;4.11,4.22,;4.51,5.71,;3.42,6.8,;1.93,6.4,;1.54,4.91,;3.82,8.28,;2.73,9.37,;5.31,8.68,;5.71,10.17,;7.19,10.57,;8.28,9.48,;9.77,9.88,;10.17,11.37,;11.66,11.77,;9.08,12.46,;7.59,12.06,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCCc1ccc(F)cc1 |r,wD:15.15,(-10.57,-8.83,;-9.23,-8.06,;-7.9,-8.83,;-6.57,-8.06,;-5.23,-8.83,;-3.9,-8.06,;-3.9,-6.52,;-2.57,-5.75,;-1.23,-6.52,;.23,-6.05,;1.14,-7.29,;.23,-8.54,;.63,-10.03,;2.12,-10.42,;2.52,-11.91,;1.43,-13,;1.83,-14.49,;-.06,-12.6,;-.46,-11.11,;-1.23,-8.06,;-2.57,-8.83,;.63,-4.56,;2.12,-4.16,;2.52,-2.67,;1.43,-1.58,;-.06,-1.98,;-.46,-3.47,;1.83,-.1,;.29,-.1,;1.06,1.24,;3.31,.3,;4.4,-.79,;3.71,1.79,;5.2,2.19,;5.6,3.68,;4.51,4.77,;3.02,4.37,;2.62,2.88,;4.91,6.25,;3.82,7.34,;6.4,6.65,;6.8,8.14,;8.28,8.54,;8.68,10.03,;10.17,10.42,;10.57,11.91,;9.48,13,;9.88,14.49,;7.99,12.6,;7.59,11.11,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCCc1ccc(F)cc1 |r,wU:15.15,(-10.57,-8.83,;-9.23,-8.06,;-7.9,-8.83,;-6.57,-8.06,;-5.23,-8.83,;-3.9,-8.06,;-3.9,-6.52,;-2.57,-5.75,;-1.23,-6.52,;.23,-6.05,;1.14,-7.29,;.23,-8.54,;.63,-10.03,;-.46,-11.11,;-.06,-12.6,;1.43,-13,;1.83,-14.49,;2.52,-11.91,;2.12,-10.42,;-1.23,-8.06,;-2.57,-8.83,;.63,-4.56,;2.12,-4.16,;2.52,-2.67,;1.43,-1.58,;-.06,-1.98,;-.46,-3.47,;1.83,-.1,;.29,-.1,;1.06,1.24,;3.31,.3,;4.4,-.79,;3.71,1.79,;5.2,2.19,;5.6,3.68,;4.51,4.77,;3.02,4.37,;2.62,2.88,;4.91,6.25,;3.82,7.34,;6.4,6.65,;6.8,8.14,;8.28,8.54,;8.68,10.03,;10.17,10.42,;10.57,11.91,;9.48,13,;9.88,14.49,;7.99,12.6,;7.59,11.11,)|
CCCCCNC(=O)c1ccc(cc1)N(C)S(=O)(=O)c1ccc(cc1)-c1nn(C2CC[C@H](O)CC2)c2nc(NCCCC)ncc12 |r,wD:31.33,(10.57,13.2,;10.17,11.71,;8.68,11.31,;8.28,9.83,;6.8,9.43,;6.4,7.94,;4.91,7.54,;3.82,8.63,;4.51,6.05,;5.6,4.96,;5.2,3.48,;3.71,3.08,;2.62,4.17,;3.02,5.66,;3.31,1.59,;4.4,.5,;1.83,1.19,;.29,1.19,;1.06,2.53,;1.43,-.3,;2.52,-1.38,;2.12,-2.87,;.63,-3.27,;-.46,-2.18,;-.06,-.69,;.23,-4.76,;1.14,-6,;.23,-7.25,;.63,-8.74,;2.12,-9.14,;2.52,-10.62,;1.43,-11.71,;1.83,-13.2,;-.06,-11.31,;-.46,-9.83,;-1.23,-6.77,;-2.57,-7.54,;-3.9,-6.77,;-5.23,-7.54,;-6.57,-6.77,;-7.9,-7.54,;-9.23,-6.77,;-10.57,-7.54,;-3.9,-5.23,;-2.57,-4.46,;-1.23,-5.23,)|
CCCCCNC(=O)c1ccc(cc1)N(C)S(=O)(=O)c1ccc(cc1)-c1nn(C2CC[C@H](O)CC2)c2nc(NCCCC)ncc12 |r,wU:31.33,(10.57,13.2,;10.17,11.71,;8.68,11.31,;8.28,9.83,;6.8,9.43,;6.4,7.94,;4.91,7.54,;3.82,8.63,;4.51,6.05,;5.6,4.96,;5.2,3.48,;3.71,3.08,;2.62,4.17,;3.02,5.66,;3.31,1.59,;4.4,.5,;1.83,1.19,;.29,1.19,;1.06,2.53,;1.43,-.3,;2.52,-1.38,;2.12,-2.87,;.63,-3.27,;-.46,-2.18,;-.06,-.69,;.23,-4.76,;1.14,-6,;.23,-7.25,;.63,-8.74,;-.46,-9.83,;-.06,-11.31,;1.43,-11.71,;1.83,-13.2,;2.52,-10.62,;2.12,-9.14,;-1.23,-6.77,;-2.57,-7.54,;-3.9,-6.77,;-5.23,-7.54,;-6.57,-6.77,;-7.9,-7.54,;-9.23,-6.77,;-10.57,-7.54,;-3.9,-5.23,;-2.57,-4.46,;-1.23,-5.23,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1NC(=O)NC(C)=C1C(C)=O |r,wD:15.15,c:37,(-7.88,-3.37,;-6.55,-2.6,;-5.22,-3.37,;-3.88,-2.6,;-2.55,-3.37,;-1.22,-2.6,;-1.22,-1.06,;.12,-.29,;1.45,-1.06,;2.92,-.59,;3.82,-1.83,;2.92,-3.08,;3.31,-4.57,;4.8,-4.96,;5.2,-6.45,;4.11,-7.54,;4.51,-9.03,;2.62,-7.14,;2.23,-5.66,;1.45,-2.6,;.12,-3.37,;3.31,.9,;4.8,1.3,;5.2,2.79,;4.11,3.88,;2.62,3.48,;2.23,1.99,;4.51,5.36,;6,5.76,;6.4,7.25,;7.88,7.65,;5.31,8.34,;3.82,7.94,;2.73,9.03,;3.42,6.45,;1.93,6.05,;.85,7.14,;1.54,4.57,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1NC(=O)NC(C)=C1C(C)=O |r,wU:15.15,c:37,(-7.88,-3.37,;-6.55,-2.6,;-5.22,-3.37,;-3.88,-2.6,;-2.55,-3.37,;-1.22,-2.6,;-1.22,-1.06,;.12,-.29,;1.45,-1.06,;2.92,-.59,;3.82,-1.83,;2.92,-3.08,;3.31,-4.57,;2.23,-5.66,;2.62,-7.14,;4.11,-7.54,;4.51,-9.03,;5.2,-6.45,;4.8,-4.96,;1.45,-2.6,;.12,-3.37,;3.31,.9,;4.8,1.3,;5.2,2.79,;4.11,3.88,;2.62,3.48,;2.23,1.99,;4.51,5.36,;6,5.76,;6.4,7.25,;7.88,7.65,;5.31,8.34,;3.82,7.94,;2.73,9.03,;3.42,6.45,;1.93,6.05,;.85,7.14,;1.54,4.57,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1NC(=O)N(C)C(C)=C1C(C)=O |r,wD:15.15,c:38,(-7.88,-3.77,;-6.55,-3,;-5.22,-3.77,;-3.88,-3,;-2.55,-3.77,;-1.22,-3,;-1.22,-1.46,;.12,-.69,;1.45,-1.46,;2.92,-.99,;3.82,-2.23,;2.92,-3.48,;3.31,-4.96,;4.8,-5.36,;5.2,-6.85,;4.11,-7.94,;4.51,-9.43,;2.62,-7.54,;2.23,-6.05,;1.45,-3,;.12,-3.77,;3.31,.5,;4.8,.9,;5.2,2.39,;4.11,3.48,;2.62,3.08,;2.23,1.59,;4.51,4.96,;6,5.36,;6.4,6.85,;7.88,7.25,;5.31,7.94,;5.71,9.43,;3.82,7.54,;2.73,8.63,;3.42,6.05,;1.93,5.66,;.85,6.74,;1.54,4.17,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1NC(=O)NC(CC)=C1C(=O)OC |r,wD:15.15,c:38,(-7.88,-4.12,;-6.55,-3.35,;-5.22,-4.12,;-3.88,-3.35,;-2.55,-4.12,;-1.22,-3.35,;-1.22,-1.81,;.12,-1.04,;1.45,-1.81,;2.92,-1.33,;3.82,-2.58,;2.92,-3.82,;3.31,-5.31,;4.8,-5.71,;5.2,-7.2,;4.11,-8.29,;4.51,-9.77,;2.62,-7.89,;2.23,-6.4,;1.45,-3.35,;.12,-4.12,;3.31,.16,;4.8,.56,;5.2,2.04,;4.11,3.13,;2.62,2.73,;2.23,1.25,;4.51,4.62,;6,5.02,;6.4,6.51,;7.88,6.9,;5.31,7.59,;3.82,7.2,;2.73,8.29,;3.13,9.77,;3.42,5.71,;1.93,5.31,;1.54,3.82,;.85,6.4,;-.64,6,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1NC(=O)NC(CC)=C1C(=O)OC |r,wU:15.15,c:38,(-7.88,-4.12,;-6.55,-3.35,;-5.22,-4.12,;-3.88,-3.35,;-2.55,-4.12,;-1.22,-3.35,;-1.22,-1.81,;.12,-1.04,;1.45,-1.81,;2.92,-1.33,;3.82,-2.58,;2.92,-3.82,;3.31,-5.31,;2.23,-6.4,;2.62,-7.89,;4.11,-8.29,;4.51,-9.77,;5.2,-7.2,;4.8,-5.71,;1.45,-3.35,;.12,-4.12,;3.31,.16,;4.8,.56,;5.2,2.04,;4.11,3.13,;2.62,2.73,;2.23,1.25,;4.51,4.62,;6,5.02,;6.4,6.51,;7.88,6.9,;5.31,7.59,;3.82,7.2,;2.73,8.29,;3.13,9.77,;3.42,5.71,;1.93,5.31,;1.54,3.82,;.85,6.4,;-.64,6,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1NC(=O)N(C)C(CC)=C1C(=O)OC |r,wD:15.15,c:39,(-7.88,-4.12,;-6.55,-3.35,;-5.22,-4.12,;-3.88,-3.35,;-2.55,-4.12,;-1.22,-3.35,;-1.22,-1.81,;.12,-1.04,;1.45,-1.81,;2.92,-1.33,;3.82,-2.58,;2.92,-3.82,;3.31,-5.31,;4.8,-5.71,;5.2,-7.2,;4.11,-8.29,;4.51,-9.77,;2.62,-7.89,;2.23,-6.4,;1.45,-3.35,;.12,-4.12,;3.31,.16,;4.8,.56,;5.2,2.04,;4.11,3.13,;2.62,2.73,;2.23,1.25,;4.51,4.62,;6,5.02,;6.4,6.51,;7.88,6.9,;5.31,7.59,;5.71,9.08,;3.82,7.2,;2.73,8.29,;3.13,9.77,;3.42,5.71,;1.93,5.31,;1.54,3.82,;.85,6.4,;-.64,6,)|
CCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1NC(=O)N(C)C(CC)=C1C(=O)OC |r,wU:14.14,c:38,(-7.22,-3.35,;-5.88,-4.12,;-4.55,-3.35,;-3.22,-4.12,;-1.88,-3.35,;-1.88,-1.81,;-.55,-1.04,;.78,-1.81,;2.25,-1.33,;3.15,-2.58,;2.25,-3.82,;2.65,-5.31,;1.56,-6.4,;1.96,-7.89,;3.45,-8.29,;3.84,-9.77,;4.53,-7.2,;4.14,-5.71,;.78,-3.35,;-.55,-4.12,;2.65,.16,;4.14,.56,;4.53,2.04,;3.45,3.13,;1.96,2.73,;1.56,1.25,;3.84,4.62,;5.33,5.02,;5.73,6.51,;7.22,6.9,;4.64,7.59,;5.04,9.08,;3.15,7.2,;2.06,8.29,;2.46,9.77,;2.75,5.71,;1.27,5.31,;.87,3.82,;.18,6.4,;-1.31,6,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1NC(=O)NC(C)=C1C(=O)OC |r,wD:15.15,c:37,(-7.88,-3.37,;-6.55,-2.6,;-5.22,-3.37,;-3.88,-2.6,;-2.55,-3.37,;-1.22,-2.6,;-1.22,-1.06,;.12,-.29,;1.45,-1.06,;2.92,-.59,;3.82,-1.83,;2.92,-3.08,;3.31,-4.57,;4.8,-4.96,;5.2,-6.45,;4.11,-7.54,;4.51,-9.03,;2.62,-7.14,;2.23,-5.66,;1.45,-2.6,;.12,-3.37,;3.31,.9,;4.8,1.3,;5.2,2.79,;4.11,3.88,;2.62,3.48,;2.23,1.99,;4.51,5.36,;6,5.76,;6.4,7.25,;7.88,7.65,;5.31,8.34,;3.82,7.94,;2.73,9.03,;3.42,6.45,;1.93,6.05,;1.54,4.57,;.85,7.14,;-.64,6.74,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1NC(=O)NC(C)=C1C(=O)OC |r,wU:15.15,c:37,(-7.88,-3.37,;-6.55,-2.6,;-5.22,-3.37,;-3.88,-2.6,;-2.55,-3.37,;-1.22,-2.6,;-1.22,-1.06,;.12,-.29,;1.45,-1.06,;2.92,-.59,;3.82,-1.83,;2.92,-3.08,;3.31,-4.57,;2.23,-5.66,;2.62,-7.14,;4.11,-7.54,;4.51,-9.03,;5.2,-6.45,;4.8,-4.96,;1.45,-2.6,;.12,-3.37,;3.31,.9,;4.8,1.3,;5.2,2.79,;4.11,3.88,;2.62,3.48,;2.23,1.99,;4.51,5.36,;6,5.76,;6.4,7.25,;7.88,7.65,;5.31,8.34,;3.82,7.94,;2.73,9.03,;3.42,6.45,;1.93,6.05,;1.54,4.57,;.85,7.14,;-.64,6.74,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(F)cc1 |r,wU:30.33,wD:15.15,(-11.06,-4.57,;-9.72,-3.8,;-8.39,-4.57,;-7.06,-3.8,;-5.72,-4.57,;-4.39,-3.8,;-4.39,-2.26,;-3.06,-1.49,;-1.72,-2.26,;-.26,-1.78,;.65,-3.03,;-.26,-4.27,;.14,-5.76,;1.63,-6.16,;2.03,-7.65,;.94,-8.74,;1.34,-10.22,;-.55,-8.34,;-.95,-6.85,;-1.72,-3.8,;-3.06,-4.57,;.14,-.3,;1.63,.1,;2.03,1.59,;.94,2.68,;-.55,2.28,;-.95,.79,;1.34,4.17,;.25,5.26,;2.82,4.57,;3.22,6.05,;2.13,7.14,;.65,6.74,;2.53,8.63,;4.71,6.45,;5.8,5.36,;5.11,7.94,;6.6,8.34,;7.68,7.25,;9.17,7.65,;9.57,9.14,;11.06,9.53,;8.48,10.22,;6.99,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(F)cc1 |r,wU:15.15,30.33,(-11.06,-4.57,;-9.72,-3.8,;-8.39,-4.57,;-7.06,-3.8,;-5.72,-4.57,;-4.39,-3.8,;-4.39,-2.26,;-3.06,-1.49,;-1.72,-2.26,;-.26,-1.78,;.65,-3.03,;-.26,-4.27,;.14,-5.76,;-.95,-6.85,;-.55,-8.34,;.94,-8.74,;1.34,-10.22,;2.03,-7.65,;1.63,-6.16,;-1.72,-3.8,;-3.06,-4.57,;.14,-.3,;1.63,.1,;2.03,1.59,;.94,2.68,;-.55,2.28,;-.95,.79,;1.34,4.17,;.25,5.26,;2.82,4.57,;3.22,6.05,;2.13,7.14,;.65,6.74,;2.53,8.63,;4.71,6.45,;5.8,5.36,;5.11,7.94,;6.6,8.34,;7.68,7.25,;9.17,7.65,;9.57,9.14,;11.06,9.53,;8.48,10.22,;6.99,9.83,)|
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(CCO)CC1 |r,wD:15.15,(-8.28,-4.71,;-6.95,-3.94,;-5.62,-4.71,;-4.28,-3.94,;-2.95,-4.71,;-1.61,-3.94,;-1.61,-2.4,;-.28,-1.63,;1.05,-2.4,;2.52,-1.93,;3.42,-3.17,;2.52,-4.42,;2.92,-5.91,;4.4,-6.31,;4.8,-7.79,;3.71,-8.88,;4.11,-10.37,;2.23,-8.48,;1.83,-7,;1.05,-3.94,;-.28,-4.71,;2.92,-.44,;4.4,-.04,;4.8,1.45,;3.71,2.53,;2.23,2.14,;1.83,.65,;4.11,4.02,;2.62,4.42,;5.6,3.62,;4.51,5.51,;6,5.91,;6.4,7.4,;5.31,8.48,;5.71,9.97,;7.19,10.37,;8.28,9.28,;3.82,8.09,;3.42,6.6,)|
CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCO |r,wU:12.11,wD:15.15,(-6.94,-4.12,;-5.61,-3.35,;-4.27,-4.12,;-2.94,-3.35,;-1.61,-4.12,;-.27,-3.35,;-.27,-1.81,;1.06,-1.04,;2.39,-1.81,;3.86,-1.33,;4.76,-2.58,;3.86,-3.82,;4.26,-5.31,;5.75,-5.71,;6.14,-7.2,;5.05,-8.29,;5.45,-9.77,;3.57,-7.89,;3.17,-6.4,;2.39,-3.35,;1.06,-4.12,;4.26,.16,;5.75,.56,;6.14,2.04,;5.05,3.13,;3.57,2.73,;3.17,1.25,;5.45,4.62,;3.97,5.02,;6.94,4.22,;5.85,6.11,;4.76,7.2,;5.16,8.68,;4.07,9.77,)|
CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC[C@H](O)CO |r,wU:12.11,32.36,wD:15.15,(-6.94,-4.86,;-5.61,-4.09,;-4.27,-4.86,;-2.94,-4.09,;-1.61,-4.86,;-.27,-4.09,;-.27,-2.55,;1.06,-1.78,;2.39,-2.55,;3.86,-2.07,;4.76,-3.32,;3.86,-4.57,;4.26,-6.05,;5.75,-6.45,;6.14,-7.94,;5.05,-9.03,;5.45,-10.52,;3.57,-8.63,;3.17,-7.14,;2.39,-4.09,;1.06,-4.86,;4.26,-.59,;5.75,-.19,;6.14,1.3,;5.05,2.39,;3.57,1.99,;3.17,.5,;5.45,3.88,;3.97,4.27,;6.94,3.48,;5.85,5.36,;4.76,6.45,;5.16,7.94,;6.65,8.34,;4.07,9.03,;4.47,10.52,)|
CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC[C@@H](O)CO |r,wU:12.11,wD:15.15,32.36,(-6.94,-4.86,;-5.61,-4.09,;-4.27,-4.86,;-2.94,-4.09,;-1.61,-4.86,;-.27,-4.09,;-.27,-2.55,;1.06,-1.78,;2.39,-2.55,;3.86,-2.07,;4.76,-3.32,;3.86,-4.57,;4.26,-6.05,;5.75,-6.45,;6.14,-7.94,;5.05,-9.03,;5.45,-10.52,;3.57,-8.63,;3.17,-7.14,;2.39,-4.09,;1.06,-4.86,;4.26,-.59,;5.75,-.19,;6.14,1.3,;5.05,2.39,;3.57,1.99,;3.17,.5,;5.45,3.88,;3.97,4.27,;6.94,3.48,;5.85,5.36,;4.76,6.45,;5.16,7.94,;6.65,8.34,;4.07,9.03,;4.47,10.52,)|
CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(N2CCN(CC)CC2)c(F)c1 |r,wU:12.11,wD:15.15,(-7.29,-4.32,;-5.95,-3.55,;-4.62,-4.32,;-3.29,-3.55,;-1.95,-4.32,;-.62,-3.55,;-.62,-2.01,;.72,-1.24,;2.05,-2.01,;3.51,-1.53,;4.42,-2.78,;3.51,-4.02,;3.91,-5.51,;5.4,-5.91,;5.8,-7.4,;4.71,-8.48,;5.11,-9.97,;3.22,-8.09,;2.82,-6.6,;2.05,-3.55,;.72,-4.32,;3.91,-.04,;2.82,1.05,;3.22,2.53,;4.71,2.93,;5.11,4.42,;6.6,4.82,;6.99,6.31,;5.91,7.4,;6.3,8.88,;5.22,9.97,;4.42,7,;4.02,5.51,;5.8,1.84,;7.29,2.24,;5.4,.36,)|
CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(OC(F)(F)F)cc1 |r,wU:12.11,wD:15.15,(-6.54,-2.83,;-5.21,-2.06,;-3.88,-2.83,;-2.54,-2.06,;-1.21,-2.83,;.13,-2.06,;.13,-.52,;1.46,.25,;2.79,-.52,;4.26,-.04,;5.16,-1.29,;4.26,-2.53,;4.66,-4.02,;6.14,-4.42,;6.54,-5.91,;5.45,-7,;5.85,-8.48,;3.97,-6.6,;3.57,-5.11,;2.79,-2.06,;1.46,-2.83,;4.66,1.45,;6.14,1.84,;6.54,3.33,;5.45,4.42,;5.85,5.91,;4.76,7,;5.16,8.48,;3.28,6.6,;6.25,7.4,;3.97,4.02,;3.57,2.53,)|
CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(N2CCNCC2)c(F)c1 |r,wU:12.11,wD:15.15,(-7.29,-3.03,;-5.95,-2.26,;-4.62,-3.03,;-3.29,-2.26,;-1.95,-3.03,;-.62,-2.26,;-.62,-.72,;.72,.05,;2.05,-.72,;3.51,-.24,;4.42,-1.49,;3.51,-2.73,;3.91,-4.22,;5.4,-4.62,;5.8,-6.11,;4.71,-7.2,;5.11,-8.68,;3.22,-6.8,;2.82,-5.31,;2.05,-2.26,;.72,-3.03,;3.91,1.25,;2.82,2.33,;3.22,3.82,;4.71,4.22,;5.11,5.71,;6.6,6.11,;6.99,7.59,;5.91,8.68,;4.42,8.29,;4.02,6.8,;5.8,3.13,;7.29,3.53,;5.4,1.64,)|
CCCCNc1ncc2c(cn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCOCC1 |r,wU:13.12,wD:16.16,(-8.57,-4.12,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;5.2,-4.62,;6.69,-5.02,;7.09,-6.51,;8.57,-6.9,;6,-7.59,;4.51,-7.2,;.76,-3.35,;-.57,-4.12,;2.62,.16,;4.11,.56,;4.51,2.04,;3.42,3.13,;1.93,2.73,;1.54,1.25,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,)|
CCCCNc1ncc2c(cn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(-8.57,-4.12,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.24,-4.12,;-1.91,-3.35,;-1.91,-1.81,;-.57,-1.04,;.76,-1.81,;2.23,-1.33,;3.13,-2.58,;2.23,-3.82,;2.62,-5.31,;4.11,-5.71,;5.2,-4.62,;6.69,-5.02,;7.09,-6.51,;8.57,-6.9,;6,-7.59,;4.51,-7.2,;.76,-3.35,;-.57,-4.12,;2.62,.16,;4.11,.56,;4.51,2.04,;3.42,3.13,;1.93,2.73,;1.54,1.25,;3.82,4.62,;5.31,5.02,;5.71,6.51,;4.62,7.59,;3.13,7.2,;2.73,5.71,)|
CCCCNc1ncc2c(cn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1 |r,wU:13.12,wD:16.16,(-9.17,-3.77,;-7.84,-3,;-6.5,-3.77,;-5.17,-3,;-3.84,-3.77,;-2.5,-3,;-2.5,-1.46,;-1.17,-.69,;.16,-1.46,;1.63,-.99,;2.53,-2.23,;1.63,-3.48,;2.03,-4.96,;3.51,-5.36,;4.6,-4.27,;6.09,-4.67,;6.49,-6.16,;7.98,-6.56,;5.4,-7.25,;3.91,-6.85,;.16,-3,;-1.17,-3.77,;2.03,.5,;3.51,.9,;3.91,2.39,;2.82,3.48,;1.34,3.08,;.94,1.59,;3.22,4.96,;1.68,4.96,;3.22,6.5,;4.71,5.36,;5.8,4.27,;7.29,4.67,;7.68,6.16,;9.17,6.56,;6.6,7.25,;5.11,6.85,)|
CCCCNc1ncc2c(cn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)S(N)(=O)=O |r,wU:13.12,wD:16.16,(-8.57,-3.4,;-7.24,-2.63,;-5.91,-3.4,;-4.57,-2.63,;-3.24,-3.4,;-1.91,-2.63,;-1.91,-1.09,;-.57,-.32,;.76,-1.09,;2.23,-.61,;3.13,-1.86,;2.23,-3.1,;2.62,-4.59,;4.11,-4.99,;5.2,-3.9,;6.69,-4.3,;7.09,-5.79,;8.57,-6.19,;6,-6.88,;4.51,-6.48,;.76,-2.63,;-.57,-3.4,;2.62,.87,;4.11,1.27,;4.51,2.76,;3.42,3.85,;1.93,3.45,;1.54,1.96,;3.82,5.34,;5.31,5.74,;2.28,5.34,;3.82,6.88,)|
CCCCNc1ncc2c(cn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(c(F)c1)S(=O)(=O)N1CCOCC1 |r,wU:13.12,wD:16.16,(-8.57,-3.77,;-7.24,-3,;-5.91,-3.77,;-4.57,-3,;-3.24,-3.77,;-1.91,-3,;-1.91,-1.46,;-.57,-.69,;.76,-1.46,;2.23,-.99,;3.13,-2.23,;2.23,-3.48,;2.62,-4.96,;4.11,-5.36,;5.2,-4.27,;6.69,-4.67,;7.09,-6.16,;8.57,-6.56,;6,-7.25,;4.51,-6.85,;.76,-3,;-.57,-3.77,;2.62,.5,;4.11,.9,;4.51,2.39,;3.42,3.48,;1.93,3.08,;.85,4.17,;1.54,1.59,;3.82,4.96,;2.28,4.96,;3.82,6.5,;5.31,5.36,;6.4,4.27,;7.88,4.67,;8.28,6.16,;7.19,7.25,;5.71,6.85,)|
CCCCNc1ncc2c(cn(C3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1 |r,wU:11.11,wD:15.15,(-6.54,-1.54,;-5.21,-.77,;-3.88,-1.54,;-2.54,-.77,;-1.21,-1.54,;.13,-.77,;.13,.77,;1.46,1.54,;2.79,.77,;4.26,1.25,;5.16,,;4.26,-1.25,;4.66,-2.73,;6.14,-3.13,;6.54,-4.62,;5.45,-5.71,;5.85,-7.2,;3.97,-5.31,;3.57,-3.82,;2.79,-.77,;1.46,-1.54,;4.66,2.73,;6.14,3.13,;6.54,4.62,;5.45,5.71,;5.85,7.2,;3.97,5.31,;3.57,3.82,)|
CCCCNc1ncc2c(cn(C3CC[C@H](N)CC3)c2n1)-c1ccc(c(F)c1)S(=O)(=O)N1CCOCC1 |r,wU:11.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;.99,5.26,;1.68,2.68,;3.97,6.05,;2.48,6.45,;3.57,7.54,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
CCCCNc1ncc2c(cn(C3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:11.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;1.68,2.68,;3.97,6.05,;2.48,6.45,;3.57,7.54,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:11.11,wD:15.15,(-9.17,-2.68,;-7.84,-1.91,;-6.5,-2.68,;-5.17,-1.91,;-3.84,-2.68,;-2.5,-1.91,;-2.5,-.37,;-1.17,.4,;.16,-.37,;1.63,.1,;2.53,-1.14,;1.63,-2.39,;2.03,-3.88,;3.51,-4.27,;3.91,-5.76,;2.82,-6.85,;3.22,-8.34,;1.34,-6.45,;.94,-4.96,;.16,-1.91,;-1.17,-2.68,;2.03,1.59,;3.51,1.99,;3.91,3.48,;2.82,4.57,;3.22,6.05,;4.71,6.45,;5.8,5.36,;7.29,5.76,;7.68,7.25,;9.17,7.65,;6.6,8.34,;5.11,7.94,;1.34,4.17,;.94,2.68,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)C1CCOCC1 |r,wU:11.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;1.68,2.68,;3.97,6.05,;2.43,6.05,;3.57,7.54,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)C1CCCC1 |r,wU:11.11,wD:15.15,(-8.23,-2.68,;-6.9,-1.91,;-5.56,-2.68,;-4.23,-1.91,;-2.89,-2.68,;-1.56,-1.91,;-1.56,-.37,;-.23,.4,;1.11,-.37,;2.57,.1,;3.48,-1.14,;2.57,-2.39,;2.97,-3.88,;4.46,-4.27,;4.86,-5.76,;3.77,-6.85,;4.17,-8.34,;2.28,-6.45,;1.88,-4.96,;1.11,-1.91,;-.23,-2.68,;2.97,1.59,;4.46,1.99,;4.86,3.48,;3.77,4.57,;2.28,4.17,;1.88,2.68,;4.17,6.05,;2.63,6.05,;3.4,7.39,;5.65,6.45,;6.05,7.94,;7.54,8.34,;8.23,5.76,;6.74,5.36,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1 |r,wU:11.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;1.68,2.68,;3.97,6.05,;2.43,6.05,;3.2,7.39,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(F)c(F)c1 |r,wU:11.11,wD:15.15,(-6.54,-1.54,;-5.21,-.77,;-3.88,-1.54,;-2.54,-.77,;-1.21,-1.54,;.13,-.77,;.13,.77,;1.46,1.54,;2.79,.77,;4.26,1.25,;5.16,,;4.26,-1.25,;4.66,-2.73,;6.14,-3.13,;6.54,-4.62,;5.45,-5.71,;5.85,-7.2,;3.97,-5.31,;3.57,-3.82,;2.79,-.77,;1.46,-1.54,;4.66,2.73,;6.14,3.13,;6.54,4.62,;5.45,5.71,;5.85,7.2,;3.97,5.31,;2.88,6.4,;3.57,3.82,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCC(F)(F)CC1 |r,wU:11.11,wD:15.15,(-9.17,-2.68,;-7.84,-1.91,;-6.5,-2.68,;-5.17,-1.91,;-3.84,-2.68,;-2.5,-1.91,;-2.5,-.37,;-1.17,.4,;.16,-.37,;1.63,.1,;2.53,-1.14,;1.63,-2.39,;2.03,-3.88,;3.51,-4.27,;3.91,-5.76,;2.82,-6.85,;3.22,-8.34,;1.34,-6.45,;.94,-4.96,;.16,-1.91,;-1.17,-2.68,;2.03,1.59,;3.51,1.99,;3.91,3.48,;2.82,4.57,;1.34,4.17,;.94,2.68,;3.22,6.05,;1.68,6.05,;2.45,7.39,;4.71,6.45,;5.8,5.36,;7.29,5.76,;7.68,7.25,;9.17,6.85,;8.77,8.34,;6.6,8.34,;5.11,7.94,)|
N[C@H]1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cnc(NCCC3CC3)nc12 |r,wU:7.7,wD:1.0,(5.85,-7.2,;5.45,-5.71,;6.54,-4.62,;6.14,-3.13,;4.66,-2.73,;3.57,-3.82,;3.97,-5.31,;4.26,-1.25,;5.16,,;4.26,1.25,;4.66,2.73,;6.14,3.13,;6.54,4.62,;5.45,5.71,;5.85,7.2,;3.97,5.31,;3.57,3.82,;2.79,.77,;1.46,1.54,;.13,.77,;.13,-.77,;-1.21,-1.54,;-2.54,-.77,;-3.88,-1.54,;-5.21,-.77,;-6.54,,;-6.54,-1.54,;1.46,-1.54,;2.79,-.77,)|
N[C@H]1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cnc(NCCCCO)nc12 |r,wU:7.7,wD:1.0,(6.52,-7.2,;6.12,-5.71,;7.21,-4.62,;6.81,-3.13,;5.32,-2.73,;4.23,-3.82,;4.63,-5.31,;4.92,-1.25,;5.83,,;4.92,1.25,;5.32,2.73,;6.81,3.13,;7.21,4.62,;6.12,5.71,;6.52,7.2,;4.63,5.31,;4.23,3.82,;3.46,.77,;2.13,1.54,;.79,.77,;.79,-.77,;-.54,-1.54,;-1.87,-.77,;-3.21,-1.54,;-4.54,-.77,;-5.88,-1.54,;-7.21,-.77,;2.13,-1.54,;3.46,-.77,)|
CCCCNc1ncc2c(cn(C3CC[C@H](N)CC3)c2n1)-c1ccc(F)c(F)c1 |r,wU:11.11,wD:15.15,(-6.54,-1.54,;-5.21,-.77,;-3.88,-1.54,;-2.54,-.77,;-1.21,-1.54,;.13,-.77,;.13,.77,;1.46,1.54,;2.79,.77,;4.26,1.25,;5.16,,;4.26,-1.25,;4.66,-2.73,;6.14,-3.13,;6.54,-4.62,;5.45,-5.71,;5.85,-7.2,;3.97,-5.31,;3.57,-3.82,;2.79,-.77,;1.46,-1.54,;4.66,2.73,;6.14,3.13,;6.54,4.62,;5.45,5.71,;5.85,7.2,;3.97,5.31,;2.88,6.4,;3.57,3.82,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCOCC2)cc1 |r,wU:11.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;3.97,6.05,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,;2.08,4.17,;1.68,2.68,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCNCC2)cc1 |r,wU:11.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;3.97,6.05,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,;2.08,4.17,;1.68,2.68,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CC(F)(F)C1 |r,wU:11.11,wD:15.15,(-8.74,-2.57,;-7.4,-1.8,;-6.07,-2.57,;-4.74,-1.8,;-3.4,-2.57,;-2.07,-1.8,;-2.07,-.26,;-.73,.51,;.6,-.26,;2.06,.22,;2.97,-1.03,;2.06,-2.27,;2.46,-3.76,;3.95,-4.16,;4.35,-5.65,;3.26,-6.73,;3.66,-8.22,;1.77,-6.34,;1.37,-4.85,;.6,-1.8,;-.73,-2.57,;2.46,1.71,;3.95,2.11,;4.35,3.59,;3.26,4.68,;1.77,4.28,;1.37,2.8,;3.66,6.17,;2.12,6.17,;2.89,7.5,;5.15,6.57,;6.48,5.8,;7.25,7.13,;8.34,8.22,;8.74,6.73,;5.92,7.9,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1(CC1)N1CCOCC1 |r,wU:11.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;1.68,2.68,;3.97,6.05,;3.57,7.54,;2.48,6.45,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
CN1CCN(CC1)S(=O)(=O)c1ccc(-c2cn(C3CC[C@H](O)CC3)c3nc(NCCC4CC4)ncc23)c(F)c1 |r,wU:16.17,wD:20.21,(7.04,6.85,;8.53,7.25,;8.13,5.76,;6.65,5.36,;5.56,6.45,;5.96,7.94,;7.44,8.34,;4.07,6.05,;2.53,6.05,;3.3,7.39,;3.67,4.57,;4.76,3.48,;4.36,1.99,;2.87,1.59,;2.47,.1,;3.38,-1.14,;2.47,-2.39,;2.87,-3.88,;4.36,-4.27,;4.76,-5.76,;3.67,-6.85,;4.07,-8.34,;2.18,-6.45,;1.78,-4.96,;1.01,-1.91,;-.32,-2.68,;-1.66,-1.91,;-2.99,-2.68,;-4.32,-1.91,;-5.66,-2.68,;-6.99,-1.91,;-7.76,-.58,;-8.53,-1.91,;-1.66,-.37,;-.32,.4,;1.01,-.37,;1.78,2.68,;.3,2.28,;2.18,4.17,)|
O[C@H]1CCC(CC1)n1cc(-c2ccc(cc2F)S(=O)(=O)N2CCOCC2)c2cnc(NCCC3CC3)nc12 |r,wU:7.7,wD:1.0,(4.07,-8.34,;3.67,-6.85,;4.76,-5.76,;4.36,-4.27,;2.87,-3.88,;1.78,-4.96,;2.18,-6.45,;2.47,-2.39,;3.38,-1.14,;2.47,.1,;2.87,1.59,;4.36,1.99,;4.76,3.48,;3.67,4.57,;2.18,4.17,;1.78,2.68,;.3,2.28,;4.07,6.05,;2.53,6.05,;3.3,7.39,;5.56,6.45,;6.65,5.36,;8.13,5.76,;8.53,7.25,;7.44,8.34,;5.96,7.94,;1.01,-.37,;-.32,.4,;-1.66,-.37,;-1.66,-1.91,;-2.99,-2.68,;-4.32,-1.91,;-5.66,-2.68,;-6.99,-1.91,;-7.76,-.58,;-8.53,-1.91,;-.32,-2.68,;1.01,-1.91,)|
O[C@H]1CCC(CC1)n1cc(-c2ccc(CN3CCOCC3)cc2)c2cnc(NCCC3CC3)nc12 |r,wU:7.7,wD:1.0,(4.07,-8.34,;3.67,-6.85,;4.76,-5.76,;4.36,-4.27,;2.87,-3.88,;1.78,-4.96,;2.18,-6.45,;2.47,-2.39,;3.38,-1.14,;2.47,.1,;2.87,1.59,;4.36,1.99,;4.76,3.48,;3.67,4.57,;4.07,6.05,;5.56,6.45,;6.65,5.36,;8.13,5.76,;8.53,7.25,;7.44,8.34,;5.96,7.94,;2.18,4.17,;1.78,2.68,;1.01,-.37,;-.32,.4,;-1.66,-.37,;-1.66,-1.91,;-2.99,-2.68,;-4.32,-1.91,;-5.66,-2.68,;-6.99,-1.91,;-7.76,-.58,;-8.53,-1.91,;-.32,-2.68,;1.01,-1.91,)|
CN1CCN(Cc2ccc(cc2)-c2cn(C3CC[C@H](O)CC3)c3nc(NCCC4CC4)ncc23)CC1 |r,wU:14.15,wD:18.19,(9.28,7.65,;7.79,7.25,;7.39,5.76,;5.9,5.36,;4.81,6.45,;3.33,6.05,;2.93,4.57,;4.02,3.48,;3.62,1.99,;2.13,1.59,;1.04,2.68,;1.44,4.17,;1.73,.1,;2.64,-1.14,;1.73,-2.39,;2.13,-3.88,;3.62,-4.27,;4.02,-5.76,;2.93,-6.85,;3.33,-8.34,;1.44,-6.45,;1.04,-4.96,;.27,-1.91,;-1.07,-2.68,;-2.4,-1.91,;-3.73,-2.68,;-5.07,-1.91,;-6.4,-2.68,;-7.74,-1.91,;-8.51,-.58,;-9.28,-1.91,;-2.4,-.37,;-1.07,.4,;.27,-.37,;5.21,7.94,;6.7,8.34,)|
CC(C)(C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(c(F)c1)S(=O)(=O)N1CCN(CC(F)(F)F)CC1 |r,wU:12.11,wD:15.15,(-11.12,-1.16,;-9.79,-.39,;-9.79,1.15,;-9.79,-1.93,;-8.45,-1.16,;-7.12,-.39,;-7.12,1.15,;-5.79,1.92,;-4.45,1.15,;-2.99,1.63,;-2.08,.38,;-2.99,-.86,;-2.59,-2.35,;-1.1,-2.75,;-.7,-4.24,;-1.79,-5.33,;-1.39,-6.81,;-3.28,-4.93,;-3.68,-3.44,;-4.45,-.39,;-5.79,-1.16,;-2.22,2.96,;-.88,2.19,;.45,2.96,;.45,4.5,;-.88,5.27,;-.88,6.81,;-2.22,4.5,;1.78,5.27,;1.01,6.61,;2.55,6.61,;3.12,4.5,;3.12,2.96,;4.44,2.13,;5.84,2.94,;7.17,2.17,;8.51,2.94,;9.84,3.71,;9.28,1.61,;7.74,4.27,;5.83,4.55,;4.45,5.27,)|
CC(C)(C)Nc1ncc2c(cn([C@@H]3CC[C@H](O)CC3)c2n1)-c1ccc(c(F)c1)S(=O)(=O)N1CCN(CC(F)(F)F)CC1 |r,wD:12.11,15.15,(-11.12,-1.16,;-9.79,-.39,;-9.79,1.15,;-9.79,-1.93,;-8.45,-1.16,;-7.12,-.39,;-7.12,1.15,;-5.79,1.92,;-4.45,1.15,;-2.99,1.63,;-2.08,.38,;-2.99,-.86,;-2.59,-2.35,;-1.1,-2.75,;-.7,-4.24,;-1.79,-5.33,;-1.39,-6.81,;-3.28,-4.93,;-3.68,-3.44,;-4.45,-.39,;-5.79,-1.16,;-2.22,2.96,;-.88,2.19,;.45,2.96,;.45,4.5,;-.88,5.27,;-.88,6.81,;-2.22,4.5,;1.78,5.27,;1.01,6.61,;2.55,6.61,;3.12,4.5,;3.12,2.96,;4.44,2.13,;5.84,2.94,;7.17,2.17,;8.51,2.94,;9.84,3.71,;9.28,1.61,;7.74,4.27,;5.83,4.55,;4.45,5.27,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:12.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;1.68,2.68,;3.97,6.05,;2.43,6.05,;4.36,7.54,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(-9.17,-2.68,;-7.84,-1.91,;-6.5,-2.68,;-5.17,-1.91,;-3.84,-2.68,;-2.5,-1.91,;-2.5,-.37,;-1.17,.4,;.16,-.37,;1.63,.1,;2.53,-1.14,;1.63,-2.39,;2.03,-3.88,;3.51,-4.27,;3.91,-5.76,;2.82,-6.85,;3.22,-8.34,;1.34,-6.45,;.94,-4.96,;.16,-1.91,;-1.17,-2.68,;2.03,1.59,;3.51,1.99,;3.91,3.48,;2.82,4.57,;1.34,4.17,;.94,2.68,;3.22,6.05,;1.68,6.05,;3.62,7.54,;4.71,6.45,;5.8,5.36,;7.29,5.76,;7.68,7.25,;9.17,7.65,;6.6,8.34,;5.11,7.94,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(N2CCOCC2)c(F)c1 |r,wU:12.11,wD:15.15,(-7.49,-2.83,;-6.15,-2.06,;-4.82,-2.83,;-3.48,-2.06,;-2.15,-2.83,;-.82,-2.06,;-.82,-.52,;.52,.25,;1.85,-.52,;3.31,-.04,;4.22,-1.29,;3.31,-2.53,;3.71,-4.02,;5.2,-4.42,;5.6,-5.91,;4.51,-7,;4.91,-8.48,;3.02,-6.6,;2.62,-5.11,;1.85,-2.06,;.52,-2.83,;3.71,1.45,;5.2,1.84,;5.6,3.33,;4.51,4.42,;4.91,5.91,;6.4,5.51,;7.49,6.6,;7.09,8.09,;5.6,8.48,;4.51,7.4,;3.02,4.02,;1.93,5.11,;2.62,2.53,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(c(F)c1)S(=O)(=O)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(-3.17,-12.13,;-1.85,-11.36,;-.52,-12.13,;.83,-11.36,;2.16,-12.13,;3.49,-11.36,;3.49,-9.82,;4.82,-9.05,;6.15,-9.81,;7.63,-9.33,;8.54,-10.59,;7.63,-11.84,;8.11,-13.31,;9.61,-13.63,;10.08,-15.1,;9.05,-16.24,;9.52,-17.7,;7.54,-15.91,;7.07,-14.45,;6.16,-11.36,;4.82,-12.13,;8.11,-7.87,;9.62,-7.55,;10.09,-6.1,;9.07,-4.95,;7.56,-5.27,;6.54,-4.12,;7.08,-6.73,;9.55,-3.48,;8.06,-3.08,;9.15,-1.99,;11.06,-3.18,;12.07,-4.34,;13.57,-4.04,;14.07,-2.59,;15.58,-2.29,;13.05,-1.43,;11.54,-1.73,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(c(F)c1)S(=O)(=O)N1CCOCC1 |r,wU:12.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;.99,5.26,;1.68,2.68,;3.97,6.05,;2.43,6.05,;4.36,7.54,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
CCCCN(C)c1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,(-9.17,-2.68,;-7.84,-1.91,;-6.5,-2.68,;-5.17,-1.91,;-3.84,-2.68,;-3.84,-4.22,;-2.5,-1.91,;-2.5,-.37,;-1.17,.4,;.16,-.37,;1.63,.1,;2.53,-1.14,;1.63,-2.39,;2.03,-3.88,;3.51,-4.27,;3.91,-5.76,;2.82,-6.85,;3.22,-8.34,;1.34,-6.45,;.94,-4.96,;.16,-1.91,;-1.17,-2.68,;2.03,1.59,;3.51,1.99,;3.91,3.48,;2.82,4.57,;3.22,6.05,;4.71,6.45,;5.8,5.36,;7.29,5.76,;7.68,7.25,;9.17,7.65,;6.6,8.34,;5.11,7.94,;1.34,4.17,;.94,2.68,)|
CCCCNc1ncc2n(cc(C3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wD:15.15,(-9.17,-2.68,;-7.84,-1.91,;-6.5,-2.68,;-5.17,-1.91,;-3.84,-2.68,;-2.5,-1.91,;-2.5,-.37,;-1.17,.4,;.16,-.37,;1.63,.1,;2.53,-1.14,;1.63,-2.39,;2.03,-3.88,;3.51,-4.27,;3.91,-5.76,;2.82,-6.85,;3.22,-8.34,;1.34,-6.45,;.94,-4.96,;.16,-1.91,;-1.17,-2.68,;2.03,1.59,;3.51,1.99,;3.91,3.48,;2.82,4.57,;3.22,6.05,;4.71,6.45,;5.8,5.36,;7.29,5.76,;7.68,7.25,;9.17,7.65,;6.6,8.34,;5.11,7.94,;1.34,4.17,;.94,2.68,)|
CCCCNc1ncc2n(cc(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1 |r,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;1.68,2.68,;3.97,6.05,;2.48,5.66,;2.88,7.14,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
CCCCNc1ncc2-c3ccc(CN4CCOCC4)cc3CN([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.25,wD:27.29,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-1.33,-.77,;-2.67,-1.54,)|
CCCCNc1ncc2c3ccc(CNC4CCCCC4)cc3c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:26.27,wD:29.31,(-10,-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,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;2,1.54,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-2,-.77,;-3.33,-1.54,)|
CCCCNc1ncc-2c(n1)N(Cc1cc(CNC3CCCCC3)ccc-21)[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:30.34,(-10,-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,;-2,-.77,;-3.33,-1.54,;-2,.77,;-.67,1.54,;.67,.77,;2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;3.33,-.77,;2,-1.54,;.67,-.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,)|
CCCCNc1ncc2c3ccc(CNC4CCOCC4)cc3c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:26.27,wD:29.31,(-10,-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,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;2,1.54,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-2,-.77,;-3.33,-1.54,)|
CCCCNc1ncc2c3ccc(CNCCO)cc3c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:23.23,wD:26.27,(-10,-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,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;2,1.54,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-2,-.77,;-3.33,-1.54,)|
CCCCNc1ncc2c3ccc(cc3c(=O)n([C@H]3CC[C@H](O)CC3)c2n1)-c1cnn(C)c1 |r,wU:18.18,wD:21.22,(-8.52,-4.37,;-7.19,-3.6,;-5.85,-4.37,;-4.52,-3.6,;-3.19,-4.37,;-1.85,-3.6,;-.52,-4.37,;.82,-3.6,;.82,-2.06,;2.15,-1.29,;3.48,-2.06,;4.82,-1.29,;4.82,.25,;3.48,1.02,;2.15,.25,;.82,1.02,;.82,2.56,;-.52,.25,;-1.85,1.02,;-3.19,.25,;-4.52,1.02,;-4.52,2.56,;-5.85,3.33,;-3.19,3.33,;-1.85,2.56,;-.52,-1.29,;-1.85,-2.06,;6.15,1.02,;7.61,.54,;8.52,1.79,;7.61,3.04,;8.38,4.37,;6.15,2.56,)|
CCCCNc1ncc2c3ccc(cc3c(=O)n([C@H]3CC[C@H](O)CC3)c2n1)-c1c(F)cccc1F |r,wU:18.18,wD:21.22,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;3.33,1.54,;2,.77,;.67,1.54,;.67,3.08,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-.67,-.77,;-2,-1.54,;6,1.54,;6,3.08,;4.67,3.85,;7.34,3.85,;8.67,3.08,;8.67,1.54,;7.34,.77,;7.34,-.77,)|
CCCCNc1ncc-2c(n1)N(Cc1cc(CNC3CCCCC3)ccc-21)[C@H]1CC[C@H](N)CC1 |r,wU:27.30,wD:30.34,(-10,-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,;-2,-.77,;-3.33,-1.54,;-2,.77,;-.67,1.54,;.67,.77,;2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;3.33,-.77,;2,-1.54,;.67,-.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,)|
CCCCNc1ncc2-c3ccc(CNC4CCOCC4)cc3CN([C@H]3CC[C@H](N)CC3)c2n1 |r,wU:25.26,wD:28.30,(-10,-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,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-2,-.77,;-3.33,-1.54,)|
CCCCNc1ncc2-c3ccc(CNC4CCCC4)cc3CN([C@H]3CC[C@H](N)CC3)c2n1 |r,wU:24.25,wD:27.29,(-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;-.52,-1.54,;.82,-.77,;2.15,-1.54,;3.48,-.77,;3.48,.77,;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,;2.15,1.54,;.82,.77,;-.52,1.54,;-1.85,.77,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-5.85,3.08,;-7.19,3.85,;-4.52,3.85,;-3.19,3.08,;-1.85,-.77,;-3.19,-1.54,)|
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
CCc1cc(-c2ccc(NC(=O)c3cc4C(=O)CCCc4n(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnn12
CCc1cc(-c2ccc(NC(=O)c3cccn([C@@H](CO)c4ccccc4)c3=O)cc2)c2c(N)ncnn12 |r|
CCc1cc(-c2ccc(NC(=O)c3cccn([C@H](C)CO)c3=O)cc2)c2c(N)ncnn12 |r|
CC[C@H](CO)n1cccc(C(=O)Nc2ccc(cc2)-c2cc(CC)n3ncnc(N)c23)c1=O |r|
CCc1cc(-c2ccc(NC(=O)c3cccn(Cc4ccccc4)c3=O)cc2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3)c12)[C@@H]1CC[C@H](O)CC1 |r,wU:32.36,35.40,(-5.98,12.64,;-6.45,11.17,;-7.96,10.85,;-8.44,9.39,;-7.41,8.24,;-5.9,8.56,;-4.65,7.66,;-3.41,8.56,;-3.88,10.03,;-3.11,11.36,;-3.88,12.7,;-3.11,14.03,;-1.57,14.03,;-.8,15.36,;.74,15.36,;1.51,14.03,;1.51,16.7,;.74,18.03,;1.51,19.36,;3.05,19.36,;3.82,18.03,;5.36,18.03,;6.13,16.7,;7.67,16.7,;8.44,18.03,;7.67,19.36,;6.13,19.36,;3.05,16.7,;3.82,15.36,;-.8,12.7,;-1.57,11.36,;-5.42,10.03,;-4.65,6.12,;-5.99,5.35,;-5.99,3.81,;-4.65,3.04,;-4.65,1.5,;-3.32,3.81,;-3.32,5.35,)|
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:32.36,wD:35.40,(-5.98,12.64,;-6.45,11.17,;-7.96,10.85,;-8.44,9.39,;-7.41,8.24,;-5.9,8.56,;-4.65,7.66,;-3.41,8.56,;-3.88,10.03,;-3.11,11.36,;-3.88,12.7,;-3.11,14.03,;-1.57,14.03,;-.8,15.36,;.74,15.36,;1.51,14.03,;1.51,16.7,;.74,18.03,;1.51,19.36,;3.05,19.36,;3.82,18.03,;5.36,18.03,;6.13,16.7,;7.67,16.7,;8.44,18.03,;7.67,19.36,;6.13,19.36,;3.05,16.7,;3.82,15.36,;-.8,12.7,;-1.57,11.36,;-5.42,10.03,;-4.65,6.12,;-3.32,5.35,;-3.32,3.81,;-4.65,3.04,;-4.65,1.5,;-5.99,3.81,;-5.99,5.35,)|
Cc1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
Cc1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnn12
Cc1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2F)c2c(N)ncnn12
Cc1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnn12
CCc1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2F)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3)c12)C1CCOCC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c12)C1CCOCC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)C1CCOCC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c12)C1CCOCC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c12)[C@@H]1CC[C@H](O)CC1 |r,wU:33.37,36.41,(-6.75,14.31,;-7.22,12.85,;-8.73,12.53,;-9.21,11.06,;-8.18,9.92,;-6.67,10.24,;-5.42,9.33,;-4.18,10.24,;-4.65,11.7,;-3.88,13.04,;-2.34,13.04,;-1.57,14.37,;-2.34,15.7,;-1.57,17.04,;-.03,17.04,;.74,15.7,;.74,18.37,;-.03,19.7,;.74,21.04,;2.28,21.04,;3.05,19.7,;4.59,19.7,;5.36,18.37,;6.9,18.37,;7.67,19.7,;9.21,19.7,;6.9,21.04,;5.36,21.04,;2.28,18.37,;3.05,17.04,;-3.88,15.7,;-4.65,14.37,;-6.19,11.7,;-5.42,7.79,;-6.76,7.02,;-6.76,5.48,;-5.42,4.71,;-5.42,3.17,;-4.09,5.48,;-4.09,7.02,)|
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@H](O)CC1 |r,wU:33.37,36.41,(-5.98,14.31,;-6.45,12.85,;-7.96,12.53,;-8.44,11.06,;-7.41,9.92,;-5.9,10.24,;-4.65,9.33,;-3.41,10.24,;-3.88,11.7,;-3.11,13.04,;-3.88,14.37,;-3.11,15.7,;-1.57,15.7,;-.8,17.04,;.74,17.04,;1.51,15.7,;1.51,18.37,;.74,19.7,;1.51,21.04,;3.05,21.04,;3.82,19.7,;5.36,19.7,;6.13,18.37,;7.67,18.37,;8.44,19.7,;7.67,21.04,;6.13,21.04,;3.05,18.37,;3.82,17.04,;-.8,14.37,;-1.57,13.04,;-.8,11.7,;-5.42,11.7,;-4.65,7.79,;-5.99,7.02,;-5.99,5.48,;-4.65,4.71,;-4.65,3.17,;-3.32,5.48,;-3.32,7.02,)|
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c12)[C@@H]1CC[C@H](O)CC1 |r,wU:34.38,37.42,(-6.76,13.36,;-7.23,11.89,;-8.74,11.57,;-9.2,10.1,;-8.17,8.96,;-6.66,9.29,;-5.41,8.39,;-4.17,9.3,;-4.66,10.76,;-3.89,12.09,;-4.66,13.43,;-3.89,14.76,;-2.35,14.76,;-1.58,16.1,;-.04,16.1,;.73,14.76,;.73,17.43,;-.04,18.76,;.73,20.1,;2.27,20.1,;3.04,18.76,;4.58,18.76,;5.35,20.1,;6.89,20.1,;7.66,18.76,;9.2,18.76,;6.89,17.43,;5.35,17.43,;2.27,17.43,;3.04,16.1,;-1.58,13.43,;-2.35,12.09,;-1.58,10.76,;-6.2,10.75,;-5.22,6.85,;-6.44,5.91,;-6.23,4.38,;-4.8,3.8,;-4.59,2.27,;-3.59,4.74,;-3.79,6.27,)|
CN1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CN1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnn12
CN1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2F)c2c(N)ncnn12
CN1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnn12
CC(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnn12
CC(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2F)c2c(N)ncnn12
CC(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:32.36,35.43,(-5.98,13.04,;-6.45,11.58,;-7.96,11.26,;-8.44,9.79,;-7.41,8.65,;-5.9,8.97,;-4.65,8.06,;-3.41,8.97,;-3.88,10.43,;-3.11,11.76,;-1.57,11.76,;-.8,13.1,;-1.57,14.43,;-.8,15.77,;.74,15.77,;1.51,14.43,;1.51,17.1,;.74,18.43,;1.51,19.77,;3.05,19.77,;3.82,18.43,;5.36,18.43,;6.13,17.1,;7.67,17.1,;8.44,18.43,;7.67,19.77,;6.13,19.77,;3.05,17.1,;3.82,15.77,;-3.11,14.43,;-3.88,13.1,;-5.42,10.43,;-4.65,6.52,;-5.99,5.75,;-5.99,4.21,;-4.65,3.44,;-3.32,4.21,;-3.32,5.75,;-4.65,1.9,;-4.65,.36,)|
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:33.37,36.44,(-6.75,13.38,;-7.22,11.92,;-8.73,11.6,;-9.21,10.13,;-8.18,8.99,;-6.67,9.31,;-5.42,8.4,;-4.18,9.31,;-4.65,10.77,;-3.88,12.11,;-2.34,12.11,;-1.57,13.44,;-2.34,14.78,;-1.57,16.11,;-.03,16.11,;.74,14.78,;.74,17.44,;-.03,18.78,;.74,20.11,;2.28,20.11,;3.05,18.78,;4.59,18.78,;5.36,17.44,;6.9,17.44,;7.67,18.78,;9.21,18.78,;6.9,20.11,;5.36,20.11,;2.28,17.44,;3.05,16.11,;-3.88,14.78,;-4.65,13.44,;-6.19,10.77,;-5.42,6.86,;-6.76,6.09,;-6.76,4.55,;-5.42,3.78,;-4.09,4.55,;-4.09,6.09,;-5.42,2.24,;-5.42,.7,)|
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:33.37,36.44,(-5.98,13.38,;-6.45,11.92,;-7.96,11.6,;-8.44,10.13,;-7.41,8.99,;-5.9,9.31,;-4.65,8.4,;-3.41,9.31,;-3.88,10.77,;-3.11,12.11,;-3.88,13.44,;-3.11,14.78,;-1.57,14.78,;-.8,16.11,;.74,16.11,;1.51,14.78,;1.51,17.44,;.74,18.78,;1.51,20.11,;3.05,20.11,;3.82,18.78,;5.36,18.78,;6.13,17.44,;7.67,17.44,;8.44,18.78,;7.67,20.11,;6.13,20.11,;3.05,17.44,;3.82,16.11,;-.8,13.44,;-1.57,12.11,;-.8,10.77,;-5.42,10.77,;-4.65,6.86,;-5.99,6.09,;-5.99,4.55,;-4.65,3.78,;-3.32,4.55,;-3.32,6.09,;-4.65,2.24,;-4.65,.7,)|
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:34.38,37.45,(-6.75,13.38,;-7.22,11.92,;-8.73,11.6,;-9.21,10.13,;-8.18,8.99,;-6.67,9.31,;-5.42,8.4,;-4.18,9.31,;-4.65,10.77,;-3.88,12.11,;-4.65,13.44,;-3.88,14.78,;-2.34,14.78,;-1.57,16.11,;-.03,16.11,;.74,14.78,;.74,17.44,;-.03,18.78,;.74,20.11,;2.28,20.11,;3.05,18.78,;4.59,18.78,;5.36,17.44,;6.9,17.44,;7.67,18.78,;9.21,18.78,;6.9,20.11,;5.36,20.11,;2.28,17.44,;3.05,16.11,;-1.57,13.44,;-2.34,12.11,;-1.57,10.77,;-6.19,10.77,;-5.42,6.86,;-6.76,6.09,;-6.76,4.55,;-5.42,3.78,;-4.09,4.55,;-4.09,6.09,;-5.42,2.24,;-5.42,.7,)|
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3)c12)C1CCNCC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c12)C1CCNCC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)C1CCNCC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c12)C1CCNCC1
COC(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
COC(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnn12
COC(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2F)c2c(N)ncnn12
COC(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnn12
CS(=O)(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CS(=O)(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnn12
CS(=O)(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2F)c2c(N)ncnn12
CS(=O)(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnn12
CN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnn12
CN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2F)c2c(N)ncnn12
CN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnn12
COCCN1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
COCCN1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnn12
COCCN1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2F)c2c(N)ncnn12
COCCN1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3)c12)C1CCN(CCO)CC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c12)C1CCN(CCO)CC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)C1CCN(CCO)CC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c12)C1CCN(CCO)CC1
CCN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnn12
CCN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc4C(=O)CCCc4n(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnn12
CCN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc4C(=O)CCCc4n(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cc5C(=O)CCCc5n(-c5ccc(F)cc5)c4=O)cc3)c12)C1CCN(CCO)CC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cc5C(=O)CCCc5n(-c5ccc(F)cc5)c4=O)cc3F)c12)C1CCN(CCO)CC1
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C(=O)N(C)C)n3ncnc(N)c23)c(=O)n(-c2ccccc2)c1=O
CCN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(C)CC3)n3ncnc(N)c23)c(=O)n(-c2ccccc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C(=O)N(C)C)n3ncnc(N)c23)c(=O)n(-c2ccc(F)cc2)c1=O
CCN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnn12
CCn1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C(=O)N(C)C)n3ncnc(N)c23)c(=O)n(-c2ccc(F)cc2)c1=O
CCn1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C(=O)N3CCOCC3)n3ncnc(N)c23)c(=O)n(-c2ccc(F)cc2)c1=O
CCN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccccc4F)c3=O)cc2)c2c(N)ncnn12 |(3.75,-10.02,;2.27,-9.63,;1.18,-10.72,;1.57,-12.2,;-.31,-10.32,;-1.4,-11.41,;-.71,-8.83,;-2.2,-8.43,;-2.6,-6.94,;-1.51,-5.85,;-.02,-6.25,;.38,-7.74,;-1.91,-4.37,;-1,-3.12,;-1.91,-1.88,;-1.51,-.39,;-.02,.01,;.38,1.5,;-.71,2.59,;-.31,4.07,;1.18,4.47,;2.27,3.38,;1.57,5.96,;3.06,6.36,;3.46,7.85,;4.95,8.25,;6.04,7.16,;5.35,9.73,;2.37,8.94,;2.77,10.42,;.88,8.54,;-.2,9.63,;-1.69,9.23,;-2.78,10.32,;-2.38,11.8,;-.89,12.2,;.19,11.11,;1.68,11.51,;.49,7.05,;-1,6.65,;-2.2,2.19,;-2.6,.7,;-3.37,-2.35,;-4.7,-1.58,;-4.7,-.04,;-6.04,-2.35,;-6.04,-3.89,;-4.7,-4.66,;-3.37,-3.89,)|
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C(=O)N(C)C)n3ncnc(N)c23)c(=O)n(-c2cccc(F)c2)c1=O
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4cccc(F)c4)c3=O)cc2)c2c(N)ncnn12
CCn1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C(=O)N(C)C)n3ncnc(N)c23)c(=O)n(-c2cccc(F)c2)c1=O
CCn1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C(=O)C(C)C)n3ncnc(N)c23)c(=O)n(-c2cccc(F)c2)c1=O
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc4C(=O)CCCc4n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccccc4)c3=O)cc2F)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4cc(F)ccc4F)c3=O)cc2)c2c(N)ncnn12 |(2.27,-10.37,;1.18,-11.46,;1.57,-12.95,;-.31,-11.06,;-1.4,-12.15,;-.71,-9.57,;-2.2,-9.17,;-2.6,-7.69,;-1.51,-6.6,;-.02,-7,;.38,-8.48,;-1.91,-5.11,;-1,-3.86,;-1.91,-2.62,;-1.51,-1.13,;-.02,-.73,;.38,.75,;-.71,1.84,;-.31,3.33,;1.18,3.73,;2.27,2.64,;1.57,5.22,;3.06,5.62,;3.46,7.1,;4.95,7.5,;5.35,8.99,;6.04,6.41,;2.37,8.19,;2.77,9.68,;.88,7.79,;-.2,8.88,;.19,10.37,;-.89,11.46,;-.5,12.95,;-2.38,11.06,;-2.78,9.57,;-1.69,8.48,;-2.09,7,;.49,6.31,;-1,5.91,;-2.2,1.45,;-2.6,-.04,;-3.37,-3.09,;-4.7,-2.32,;-4.7,-.78,;-6.04,-3.09,;-6.04,-4.63,;-4.7,-5.4,;-3.37,-4.63,)|
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccccc4)c3=O)cc2C)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4cccnc4)c3=O)cc2)c2c(N)ncnn12
CCn1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C(=O)[C@@H](C)O)n3ncnc(N)c23)c(=O)n(-c2ccc(F)cc2)c1=O |r|
CC(O)Cn1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C(=O)C3CC3)n3ncnc(N)c23)c(=O)n(-c2ccccc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC(=O)N(C)C)CC3)n3ncnc(N)c23)c(=O)n(-c2ccccc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C3CCN(C)C3=O)n3ncnc(N)c23)c(=O)n(-c2ccccc2)c1=O
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccccn4)c3=O)cc2)c2c(N)ncnn12
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(-c3c(C)nn(C)c3C)n3ncnc(N)c23)c(=O)n(-c2cccc(F)c2)c1=O |(6.04,5.15,;4.95,6.24,;5.35,7.73,;3.46,5.84,;3.06,4.35,;1.57,3.96,;1.18,2.47,;2.27,1.38,;-.31,2.07,;-.71,.58,;.38,-.51,;-.02,-1.99,;-1.51,-2.39,;-2.6,-1.3,;-2.2,.18,;-1.91,-3.88,;-1,-5.13,;-1.91,-6.37,;-1.51,-7.86,;-.04,-8.34,;1.29,-7.57,;-.04,-9.88,;-1.51,-10.35,;-2.28,-11.69,;-2.41,-9.11,;-3.95,-9.11,;-3.37,-5.9,;-4.7,-6.67,;-6.04,-5.9,;-6.04,-4.36,;-4.7,-3.59,;-4.7,-2.05,;-3.37,-4.36,;.49,5.04,;-1,4.65,;.88,6.53,;-.2,7.62,;-1.69,7.22,;-2.78,8.31,;-2.38,9.8,;-.89,10.2,;-.5,11.69,;.19,9.11,;2.37,6.93,;2.77,8.42,)|
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(-c3cnc(cc3C)C(=O)N(C)C)n3ncnc(N)c23)c(=O)n(-c2ccccc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(C(=O)N(C)C)n3ncnc(N)c23)c(=O)n(-c2cccc(F)c2)c1=O
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4cnn(C)c4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccn(C)n4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(C4CCCCC4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4cccc(c4)C#N)c3=O)cc2)c2c(N)ncnn12
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCC(CC3)N(C)C)n3ncnc(N)c23)c(=O)n(-c2ccccc2)c1=O |(10.84,-.56,;9.35,-.96,;8.95,-2.44,;8.26,.13,;6.78,-.27,;5.69,.82,;4.2,.42,;3.8,-1.06,;3.11,1.51,;1.62,1.11,;1.22,-.37,;-.26,-.77,;-1.35,.32,;-.95,1.8,;.53,2.2,;-2.84,-.08,;-3.47,-1.49,;-5,-1.33,;-6.09,-2.42,;-7.57,-2.02,;-8.66,-3.11,;-8.26,-4.59,;-6.78,-4.99,;-5.69,-3.9,;-9.35,-5.68,;-8.95,-7.17,;-10.84,-5.28,;-5.32,.18,;-6.65,.95,;-6.65,2.49,;-5.32,3.26,;-3.98,2.49,;-2.65,3.26,;-3.98,.95,;6.09,2.31,;5,3.4,;7.57,2.71,;7.97,4.2,;9.46,4.59,;9.86,6.08,;8.77,7.17,;7.28,6.77,;6.88,5.28,;8.66,1.62,;10.15,2.02,)|
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(C3CN(C3)C(=O)C3CC3)n3ncnc(N)c23)c(=O)n(-c2ccccc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(cc2)-c2cc(CN3CCOCC3)n3ncnc(N)c23)c(=O)n(-c2ccccc2)c1=O
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3nn(C(C)C)c(=O)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(C)c(-c4ccnn4C)c3=O)cc2)c2c(N)ncnn12 |(-2.89,-10.38,;-1.4,-10.78,;-1,-12.27,;-.31,-9.69,;1.18,-10.09,;-.71,-8.2,;-2.2,-7.81,;-2.6,-6.32,;-1.51,-5.23,;-.02,-5.63,;.38,-7.11,;-1.91,-3.74,;-1,-2.5,;-1.91,-1.25,;-1.51,.24,;-2.6,1.33,;-2.2,2.81,;-.71,3.21,;-.31,4.7,;1.18,5.1,;2.27,4.01,;1.57,6.59,;3.06,6.99,;3.46,8.47,;4.95,8.87,;6.04,7.78,;5.35,10.36,;2.37,9.56,;2.77,11.05,;.88,9.16,;-.2,10.25,;-.2,11.79,;-1.67,12.27,;-2.57,11.02,;-1.67,9.78,;-2.44,8.44,;.49,7.68,;-1,7.28,;.38,2.12,;-.02,.64,;-3.37,-1.73,;-4.7,-.96,;-4.7,.58,;-6.04,-1.73,;-6.04,-3.27,;-4.7,-4.04,;-3.37,-3.27,)|
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(C)c(-c4cncc(F)c4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(C)c(-c4cncc(c4)C#N)c3=O)cc2)c2c(N)ncnn12
COc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(cc1)-c1c(Br)c(C2CCN(CC2)C(=O)C(C)C)n2ncnc(N)c12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(Br)c(C)n(-c4cncc(F)c4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(CC#N)c(C)n(-c4cncc(F)c4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(-c4cscn4)c(C)n(-c4cncc(F)c4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3ccc(-c4ccccn4)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3ccc(-c4ccc(C)nc4)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(C)c(-c4cccnc4)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(-c4cnn(C)c4)c(C)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(c(C)n(-c4ccccc4)c3=O)-c3ncccn3)cc2)c2c(N)ncnn12
CN1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(c(C)n(-c4ccccc4)c3=O)-c3ncccn3)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(N4CCOCC4)c(C)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(C#N)c(C)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(C(N)=O)c(C)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)=O)c(C)c(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc4C(=O)CCCc4n(-c4cncc(F)c4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc4C(=O)CC(C)(C)Cc4n(-c4cccnc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc4C(=O)C(C)(C)CCc4n(-c4cncc(F)c4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cnc(-c4cccnc4)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(nn(-c4ccccc4)c3=O)C3CC3)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(Br)c(C)n(-c4ccccn4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C4CC4)c(C)c(-c4ncco4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(cn(-c4ccccc4)c3=O)C#C[C@H](C)O)cc2)c2c(N)ncnn12 |r|
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(C)c(C)n(-c4cncc(F)c4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(CC#N)c(C)n(-c4ccccn4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(-c4ccnn4C)c(C)n(-c4ccccn4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(Cl)c(C)n(-c4ccccn4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(-c4ccn(C)n4)c(C)n(-c4ccccn4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(-c4ncco4)c(C)n(-c4ccccn4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(C(F)F)c(C)n(-c4ccccn4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(cc(-c4cccnc4)c3=O)C(C)C)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(cc(-c4cncc(F)c4)c3=O)C(C)C)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(Br)c(C)n(-c4cccnc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(Cl)c(C)n(-c4cccnc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(C)c(C)n(-c4cccnc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(-c4cnn(C)c4)c(C)n(-c4cccnc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(-c4ccnn4C)c(C)n(-c4cccnc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(-c4ccn(C)n4)c(C)n(-c4cccnc4)c3=O)cc2)c2c(N)ncnn12
COCc1c(Br)cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C(=O)C(C)C)n3ncnc(N)c23)c(=O)n1-c1ccccc1
CCOCc1c(cc(C(=O)Nc2ccc(cc2)-c2cc(C3CCN(CC3)C(=O)C(C)C)n3ncnc(N)c23)c(=O)n1-c1ccccc1)C#N
CC(C)C(=O)N1CCC(CC1)c1cc(c([nH]1)C(\N)=N/C=N)-c1ccc(NC(=O)c2cn(C(C)C)c(=O)n(-c3nn(C)cc3C)c2=O)cc1 |(-12.64,-3.82,;-11.3,-3.05,;-11.3,-1.51,;-9.97,-3.82,;-9.97,-5.36,;-8.63,-3.05,;-8.63,-1.51,;-7.3,-.74,;-5.97,-1.51,;-5.97,-3.05,;-7.3,-3.82,;-4.63,-.74,;-3.17,-1.22,;-2.26,.03,;-3.17,1.27,;-4.63,.8,;-2.85,2.78,;-1.36,3.18,;-3.99,3.81,;-5.46,3.33,;-5.78,1.83,;-.72,.03,;.05,1.36,;1.59,1.36,;2.36,.03,;3.9,.03,;4.67,1.36,;3.9,2.69,;6.21,1.36,;6.98,2.69,;8.52,2.69,;9.29,4.03,;8.52,5.36,;10.83,4.03,;9.29,1.36,;10.83,1.36,;8.52,.03,;9.29,-1.31,;10.83,-1.31,;11.3,-2.77,;12.64,-3.54,;10.06,-3.68,;8.81,-2.77,;7.48,-3.54,;6.98,.03,;6.21,-1.31,;1.59,-1.31,;.05,-1.31,)|
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C4CC4)c(=O)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C4CC4)c(=O)n(-c4cccnc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C4CC4)c(C)c(-c4ccccn4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C4CC4)c(C)c(-c4cccnc4C)c3=O)cc2)c2c(N)ncnn12 |(1.38,-12.2,;.98,-10.72,;2.07,-9.63,;-.51,-10.32,;-1.6,-11.41,;-.91,-8.83,;-2.4,-8.43,;-2.79,-6.94,;-1.71,-5.85,;-.22,-6.25,;.18,-7.74,;-2.1,-4.37,;-1.2,-3.12,;-2.1,-1.87,;-1.71,-.39,;-2.79,.7,;-2.4,2.19,;-.91,2.59,;-.51,4.07,;.98,4.47,;2.07,3.38,;1.38,5.96,;2.86,6.36,;3.26,7.85,;4.75,8.25,;6.24,7.85,;5.84,9.33,;2.17,8.94,;2.57,10.42,;.69,8.54,;-.4,9.63,;-1.89,9.23,;-2.98,10.32,;-2.58,11.8,;-1.09,12.2,;-.01,11.11,;1.48,11.51,;.29,7.05,;-1.2,6.65,;.18,1.5,;-.22,.01,;-3.57,-2.35,;-4.9,-1.58,;-4.9,-.04,;-6.24,-2.35,;-6.24,-3.89,;-4.9,-4.66,;-3.57,-3.89,)|
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ncccn4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C4CC4)c(=O)n(-c4ccccn4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C4CC4)c(C)c(-c4cccnc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4cc(C)n(C)n4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4cccc(C)n4)c3=O)cc2)c2c(N)ncnn12
OCCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCOCC2)cc1 |r,wD:16.16,(-9.1,-1.91,;-7.76,-2.68,;-6.43,-1.91,;-5.09,-2.68,;-3.76,-1.91,;-2.43,-2.68,;-1.09,-1.91,;-1.09,-.37,;.24,.4,;1.57,-.37,;3.04,.1,;3.94,-1.14,;3.04,-2.39,;3.44,-3.88,;4.92,-4.27,;5.32,-5.76,;4.23,-6.85,;4.63,-8.34,;2.75,-6.45,;2.35,-4.96,;1.57,-1.91,;.24,-2.68,;3.44,1.59,;4.92,1.99,;5.32,3.48,;4.23,4.57,;4.63,6.05,;6.12,6.45,;7.21,5.36,;8.7,5.76,;9.1,7.25,;8.01,8.34,;6.52,7.94,;2.75,4.17,;2.35,2.68,)|
CN1CCN(Cc2ccc(cc2)-c2cn(C3CC[C@H](O)CC3)c3nc(NCCCCO)ncc23)CC1 |r,wD:18.19,(9.84,7.65,;8.35,7.25,;7.95,5.76,;6.47,5.36,;5.38,6.45,;3.89,6.05,;3.49,4.57,;4.58,3.48,;4.18,1.99,;2.69,1.59,;1.6,2.68,;2,4.17,;2.29,.1,;3.2,-1.14,;2.29,-2.39,;2.69,-3.88,;4.18,-4.27,;4.58,-5.76,;3.49,-6.85,;3.89,-8.34,;2,-6.45,;1.6,-4.96,;.83,-1.91,;-.5,-2.68,;-1.84,-1.91,;-3.17,-2.68,;-4.5,-1.91,;-5.84,-2.68,;-7.17,-1.91,;-8.51,-2.68,;-9.84,-1.91,;-1.84,-.37,;-.5,.4,;.83,-.37,;5.78,7.94,;7.26,8.34,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(c(F)c1)S(=O)(=O)N1CCN(CC(F)(F)F)CC1 |r,wU:12.11,wD:15.15,(-13.79,-1.16,;-12.45,-.39,;-11.12,-1.16,;-9.79,-.39,;-8.45,-1.16,;-7.12,-.39,;-7.12,1.15,;-5.79,1.92,;-4.45,1.15,;-2.99,1.63,;-2.08,.38,;-2.99,-.86,;-2.59,-2.35,;-1.1,-2.75,;-.7,-4.24,;-1.79,-5.33,;-1.39,-6.81,;-3.28,-4.93,;-3.68,-3.44,;-4.45,-.39,;-5.79,-1.16,;-2.22,2.96,;-.88,2.19,;.45,2.96,;.45,4.5,;-.88,5.27,;-.88,6.81,;-2.22,4.5,;1.78,5.27,;1.01,6.61,;2.55,6.61,;3.12,4.5,;3.12,2.96,;4.44,2.13,;5.84,2.94,;7.17,2.17,;8.51,2.94,;9.84,3.71,;9.28,1.61,;7.74,4.27,;5.83,4.55,;4.45,5.27,)|
CCCCNc1ncc2c(cn([C@@H]3CC[C@H](O)CC3)c2n1)-c1ccc(c(F)c1)S(=O)(=O)N1CCN(CC(F)(F)F)CC1 |r,wD:15.15,12.11,(-13.79,-1.16,;-12.45,-.39,;-11.12,-1.16,;-9.79,-.39,;-8.45,-1.16,;-7.12,-.39,;-7.12,1.15,;-5.79,1.92,;-4.45,1.15,;-2.99,1.63,;-2.08,.38,;-2.99,-.86,;-2.59,-2.35,;-1.1,-2.75,;-.7,-4.24,;-1.79,-5.33,;-1.39,-6.81,;-3.28,-4.93,;-3.68,-3.44,;-4.45,-.39,;-5.79,-1.16,;-2.22,2.96,;-.88,2.19,;.45,2.96,;.45,4.5,;-.88,5.27,;-.88,6.81,;-2.22,4.5,;1.78,5.27,;1.01,6.61,;2.55,6.61,;3.12,4.5,;3.12,2.96,;4.44,2.13,;5.84,2.94,;7.17,2.17,;8.51,2.94,;9.84,3.71,;9.28,1.61,;7.74,4.27,;5.83,4.55,;4.45,5.27,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCNCC2)cc1 |r,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;3.97,6.05,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,;2.08,4.17,;1.68,2.68,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCCCC2)cc1 |r,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;3.97,6.05,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,;2.08,4.17,;1.68,2.68,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCN(C)CC2)cc1 |r,wD:15.15,(-9.17,-2.68,;-7.84,-1.91,;-6.5,-2.68,;-5.17,-1.91,;-3.84,-2.68,;-2.5,-1.91,;-2.5,-.37,;-1.17,.4,;.16,-.37,;1.63,.1,;2.53,-1.14,;1.63,-2.39,;2.03,-3.88,;3.51,-4.27,;3.91,-5.76,;2.82,-6.85,;3.22,-8.34,;1.34,-6.45,;.94,-4.96,;.16,-1.91,;-1.17,-2.68,;2.03,1.59,;3.51,1.99,;3.91,3.48,;2.82,4.57,;3.22,6.05,;4.71,6.45,;5.8,5.36,;7.29,5.76,;7.68,7.25,;9.17,7.65,;6.6,8.34,;5.11,7.94,;1.34,4.17,;.94,2.68,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCCNCC2)cc1 |r,wD:15.15,(-8.67,-2.82,;-7.34,-2.05,;-6,-2.82,;-4.67,-2.05,;-3.34,-2.82,;-2,-2.05,;-2,-.51,;-.67,.26,;.66,-.51,;2.13,-.04,;3.03,-1.28,;2.13,-2.53,;2.53,-4.02,;4.02,-4.42,;4.41,-5.9,;3.32,-6.99,;3.72,-8.48,;1.84,-6.59,;1.44,-5.11,;.66,-2.05,;-.67,-2.82,;2.53,1.45,;4.02,1.85,;4.41,3.34,;3.32,4.42,;3.72,5.91,;5.21,6.31,;5.55,7.81,;6.94,8.48,;8.33,7.81,;8.67,6.31,;7.71,5.11,;6.17,5.11,;1.84,4.03,;1.44,2.54,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCCN(C)CC2)cc1 |r,wD:15.15,(-9.42,-2.82,;-8.08,-2.05,;-6.75,-2.82,;-5.41,-2.05,;-4.08,-2.82,;-2.75,-2.05,;-2.75,-.51,;-1.41,.26,;-.08,-.51,;1.39,-.04,;2.29,-1.28,;1.39,-2.53,;1.78,-4.02,;3.27,-4.42,;3.67,-5.9,;2.58,-6.99,;2.98,-8.48,;1.09,-6.59,;.69,-5.11,;-.08,-2.05,;-1.41,-2.82,;1.78,1.45,;3.27,1.85,;3.67,3.34,;2.58,4.42,;2.98,5.91,;4.47,6.31,;4.81,7.81,;6.2,8.48,;7.58,7.81,;7.93,6.31,;9.42,5.91,;6.97,5.11,;5.43,5.11,;1.09,4.03,;.69,2.54,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCCCCC2)cc1 |r,wD:15.15,(-8.67,-2.82,;-7.34,-2.05,;-6,-2.82,;-4.67,-2.05,;-3.34,-2.82,;-2,-2.05,;-2,-.51,;-.67,.26,;.66,-.51,;2.13,-.04,;3.03,-1.28,;2.13,-2.53,;2.53,-4.02,;4.02,-4.42,;4.41,-5.9,;3.32,-6.99,;3.72,-8.48,;1.84,-6.59,;1.44,-5.11,;.66,-2.05,;-.67,-2.82,;2.53,1.45,;4.02,1.85,;4.41,3.34,;3.32,4.42,;3.72,5.91,;5.21,6.31,;6.17,5.11,;7.71,5.11,;8.67,6.31,;8.33,7.81,;6.94,8.48,;5.55,7.81,;1.84,4.03,;1.44,2.54,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wD:15.15,(-9.42,-2.82,;-8.08,-2.05,;-6.75,-2.82,;-5.41,-2.05,;-4.08,-2.82,;-2.75,-2.05,;-2.75,-.51,;-1.41,.26,;-.08,-.51,;1.39,-.04,;2.29,-1.28,;1.39,-2.53,;1.78,-4.02,;3.27,-4.42,;3.67,-5.9,;2.58,-6.99,;2.98,-8.48,;1.09,-6.59,;.69,-5.11,;-.08,-2.05,;-1.41,-2.82,;1.78,1.45,;3.27,1.85,;3.67,3.34,;2.58,4.42,;2.98,5.91,;4.47,6.31,;4.81,7.81,;6.2,8.48,;7.58,7.81,;7.93,6.31,;9.42,5.91,;6.97,5.11,;5.43,5.11,;1.09,4.03,;.69,2.54,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)N1CCN(C)CC1 |r,wD:15.15,(-7.14,-3.77,;-5.81,-3,;-4.47,-3.77,;-3.14,-3,;-1.81,-3.77,;-.47,-3,;-.47,-1.46,;.86,-.69,;2.2,-1.46,;3.66,-.99,;4.57,-2.23,;3.66,-3.48,;4.06,-4.96,;5.55,-5.36,;5.94,-6.85,;4.86,-7.94,;5.25,-9.43,;3.37,-7.54,;2.97,-6.05,;2.2,-3,;.86,-3.77,;4.06,.5,;5.55,.9,;5.94,2.39,;4.86,3.48,;3.37,3.08,;2.97,1.59,;5.25,4.96,;6.74,5.36,;7.14,6.85,;6.05,7.94,;6.45,9.43,;4.56,7.54,;4.17,6.05,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(Oc2ccccc2)cc1 |r,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;3.97,6.05,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,;2.08,4.17,;1.68,2.68,)|
CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(Nc2ccccc2)cc1 |r,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;3.97,6.05,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,;2.08,4.17,;1.68,2.68,)|
CCCCNc1ncc2c(nc([C@@H]3CC[C@H](O)CC3)n2n1)-c1ccc(CO)cc1 |r,wU:12.11,15.15,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;-2.25,5.87,;-2.73,7.34,;-1.7,8.48,;-2.17,9.95,;-3.68,10.27,;-.19,8.16,;.29,6.7,)|
CCCCNc1ncc2c(nc([C@H]3CC[C@H](O)CC3)n2n1)-c1ccc(CO)cc1 |r,wU:15.15,wD:12.11,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;-2.25,5.87,;-2.73,7.34,;-1.7,8.48,;-2.17,9.95,;-3.68,10.27,;-.19,8.16,;.29,6.7,)|
CCCCNc1ncc2c(nc([C@H]3CC[C@H](O)CC3)n2n1)-c1ccc2[nH]ccc2c1 |r,wU:15.15,wD:12.11,(15.09,6.46,;13.58,6.14,;13.11,4.67,;11.6,4.35,;11.12,2.89,;9.62,2.57,;8.59,3.71,;7.08,3.39,;6.6,1.93,;5.2,1.3,;5.36,-.23,;6.87,-.55,;7.49,-1.96,;6.59,-3.2,;7.21,-4.61,;8.74,-4.77,;9.37,-6.18,;9.65,-3.52,;9.02,-2.12,;7.64,.78,;9.14,1.1,;3.86,2.07,;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,)|
CCCCNc1ncc2c(nc([C@@H]3CC[C@H](O)CC3)n2n1)-c1ccc2[nH]ccc2c1 |r,wU:12.11,15.15,(15.09,6.46,;13.58,6.14,;13.11,4.67,;11.6,4.35,;11.12,2.89,;9.62,2.57,;8.59,3.71,;7.08,3.39,;6.6,1.93,;5.2,1.3,;5.36,-.23,;6.87,-.55,;7.49,-1.96,;6.59,-3.2,;7.21,-4.61,;8.74,-4.77,;9.37,-6.18,;9.65,-3.52,;9.02,-2.12,;7.64,.78,;9.14,1.1,;3.86,2.07,;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,)|
CCCCNc1ncc2c(nc([C@@H]3CC[C@H](O)CC3)n2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:12.11,15.15,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;-2.25,5.87,;-2.73,7.34,;-1.7,8.48,;-.19,8.16,;.29,6.7,;-2.17,9.95,;-3.68,10.27,;-4.15,11.73,;-3.12,12.88,;-1.62,12.56,;-1.14,11.09,)|
CCCCNc1ncc2c(nc([C@H]3CC[C@H](O)CC3)n2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:15.15,wD:12.11,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;-2.25,5.87,;-2.73,7.34,;-1.7,8.48,;-.19,8.16,;.29,6.7,;-2.17,9.95,;-3.68,10.27,;-4.15,11.73,;-3.12,12.88,;-1.62,12.56,;-1.14,11.09,)|
CCCCNc1ncc2c(nc([C@H]3CC[C@H](O)CC3)n2n1)-c1ccnc(c1)N1CCNCC1 |r,wU:15.15,wD:12.11,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;.29,6.7,;-.19,8.16,;-1.7,8.48,;-2.73,7.34,;-2.25,5.87,;-4.23,7.66,;-5.26,6.51,;-6.77,6.83,;-7.25,8.3,;-6.21,9.44,;-4.71,9.12,)|
CCCCNc1ncc2c(nc([C@@H]3CC[C@H](O)CC3)n2n1)-c1ccnc(c1)N1CCNCC1 |r,wU:12.11,15.15,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;.29,6.7,;-.19,8.16,;-1.7,8.48,;-2.73,7.34,;-2.25,5.87,;-4.23,7.66,;-5.26,6.51,;-6.77,6.83,;-7.25,8.3,;-6.21,9.44,;-4.71,9.12,)|
CCCNc1ncc2c(nc([C@@H]3CC[C@H](O)CC3)n2n1)-c1ccc(N2CCOCC2)c(F)c1 |r,wU:11.10,14.14,(9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;.29,6.7,;-.19,8.16,;-1.7,8.48,;-2.17,9.95,;-3.68,10.27,;-4.15,11.73,;-3.12,12.88,;-1.62,12.56,;-1.14,11.09,;-2.73,7.34,;-4.23,7.66,;-2.25,5.87,)|
CCCCNc1ncc2c(nc([C@H]3CC[C@H](O)CC3)n2n1)-c1ccc(N2CCOCC2)c(F)c1 |r,wU:15.15,wD:12.11,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;.29,6.7,;-.19,8.16,;-1.7,8.48,;-2.17,9.95,;-3.68,10.27,;-4.15,11.73,;-3.12,12.88,;-1.62,12.56,;-1.14,11.09,;-2.73,7.34,;-4.23,7.66,;-2.25,5.87,)|
CCCCNc1ncc2c(nc([C@H]3CC[C@H](O)CC3)n2n1)-c1cccc(CO)c1 |r,wU:15.15,wD:12.11,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;.29,6.7,;-.19,8.16,;-1.7,8.48,;-2.73,7.34,;-4.23,7.66,;-5.26,6.51,;-2.25,5.87,)|
CCCCNc1ncc2c(nc([C@@H]3CC[C@H](O)CC3)n2n1)-c1cccc(NC(C)=O)c1 |r,wD:12.11,15.15,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;.29,-1.01,;-.19,-2.48,;-1.7,-2.8,;-2.17,-4.26,;-2.73,-1.65,;-2.25,-.19,;1.2,2.07,;2.53,1.3,;-.74,5.55,;.29,6.7,;-.19,8.16,;-1.7,8.48,;-2.73,7.34,;-4.23,7.66,;-4.71,9.12,;-6.21,9.44,;-3.68,10.27,;-2.25,5.87,)|
CCCCNc1ncc2c(nc([C@H]3CC[C@H](O)CC3)n2n1)-c1cccc(NC(C)=O)c1 |r,wU:15.15,wD:12.11,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;.29,6.7,;-.19,8.16,;-1.7,8.48,;-2.73,7.34,;-4.23,7.66,;-4.71,9.12,;-6.21,9.44,;-3.68,10.27,;-2.25,5.87,)|
CCCCNc1ncc2c(nc([C@H]3CC[C@H](O)CC3)n2n1)-c1ccc(NC(C)=O)cc1 |r,wU:15.15,wD:12.11,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;-2.25,5.87,;-2.73,7.34,;-1.7,8.48,;-2.17,9.95,;-1.14,11.09,;-1.62,12.56,;.37,10.77,;-.19,8.16,;.29,6.7,)|
CCCCNc1ncc2c(nc([C@@H]3CC[C@H](O)CC3)n2n1)-c1ccc(NC(C)=O)cc1 |r,wD:12.11,15.15,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;.29,-1.01,;-.19,-2.48,;-1.7,-2.8,;-2.17,-4.26,;-2.73,-1.65,;-2.25,-.19,;1.2,2.07,;2.53,1.3,;-.74,5.55,;-2.25,5.87,;-2.73,7.34,;-1.7,8.48,;-2.17,9.95,;-1.14,11.09,;-1.62,12.56,;.37,10.77,;-.19,8.16,;.29,6.7,)|
CCCCNc1ncc2c(nc([C@@H]3CC[C@H](O)CC3)n2n1)-c1ccc(CNC)cc1 |r,wU:12.11,15.15,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;-2.25,5.87,;-2.73,7.34,;-1.7,8.48,;-2.17,9.95,;-1.14,11.09,;-1.62,12.56,;-.19,8.16,;.29,6.7,)|
CCCCNc1ncc2c(nc([C@H]3CC[C@H](O)CC3)n2n1)-c1ccc(CNC)cc1 |r,wU:15.15,wD:12.11,(10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;-2.25,5.87,;-2.73,7.34,;-1.7,8.48,;-2.17,9.95,;-1.14,11.09,;-1.62,12.56,;-.19,8.16,;.29,6.7,)|
CCCCNc1ncc2c(nc([C@H]3CC[C@H](O)CC3)n2n1)-c1ccc(CNC2CCCCC2)cc1 |r,wU:15.15,wD:12.11,(2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;5.2,-.24,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;-2.25,5.87,;-2.73,7.34,;-1.7,8.48,;-2.17,9.95,;-3.68,10.27,;-4.15,11.73,;-5.66,12.05,;-6.14,13.52,;-5.11,14.66,;-3.6,14.34,;-3.12,12.88,;-.19,8.16,;.29,6.7,)|
CCCCNc1ncc2c(nc([C@@H]3CC[C@H](O)CC3)n2n1)-c1ccc(CNC2CCCCC2)cc1 |r,wU:12.11,15.15,(2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;5.2,-.24,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-.19,-2.48,;.29,-1.01,;1.2,2.07,;2.53,1.3,;-.74,5.55,;-2.25,5.87,;-2.73,7.34,;-1.7,8.48,;-2.17,9.95,;-3.68,10.27,;-4.15,11.73,;-5.66,12.05,;-6.14,13.52,;-5.11,14.66,;-3.6,14.34,;-3.12,12.88,;-.19,8.16,;.29,6.7,)|
CCCCNc1ncc2c(nc(C[C@H]3CC[C@H](N)CC3)n2n1)-c1ccc(F)cc1 |r,wU:13.12,wD:16.16,(10.26,-7.46,;8.92,-6.69,;8.92,-5.15,;7.59,-4.38,;7.59,-2.84,;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,;-1.84,-6.12,;-2.87,-4.97,;-4.38,-5.29,;-2.39,-3.51,;-.89,-3.19,;3.59,-2.07,;4.92,-2.84,;1.65,1.41,;.14,1.73,;-.33,3.19,;.7,4.34,;.22,5.8,;2.2,4.02,;2.68,2.55,)|
N[C@H]1CC[C@H](Cc2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nn23)CC1 |r,wU:4.4,wD:1.0,(-4.38,-5.29,;-2.87,-4.97,;-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,;1.65,1.41,;.14,1.73,;-.33,3.19,;.7,4.34,;.22,5.8,;2.2,4.02,;2.68,2.55,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;7.59,-2.84,;8.92,-2.07,;10.26,-2.84,;11.59,-2.07,;12.93,-2.84,;14.26,-2.07,;15.59,-2.84,;15.59,-4.38,;14.26,-5.15,;12.93,-4.38,;4.92,-2.84,;3.59,-2.07,;-.89,-3.19,;-2.39,-3.51,)|
CCCCNc1ncc2c(nc(C3CCC(N)CC3)n2n1)-c1ccc(F)cc1 |(10.26,-7.46,;8.92,-6.69,;8.92,-5.15,;7.59,-4.38,;7.59,-2.84,;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,;.22,-8.41,;2.2,-6.62,;2.68,-5.16,;3.59,-2.07,;4.92,-2.84,;1.65,1.41,;.14,1.73,;-.33,3.19,;.7,4.34,;.22,5.8,;2.2,4.02,;2.68,2.55,)|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c12)C1CC[C@@H](CC1)C#N |r,wU:37.45,(-7.06,14.18,;-7.38,12.67,;-8.84,12.2,;-9.16,10.69,;-8.02,9.66,;-6.55,10.13,;-5.22,9.36,;-4.07,10.4,;-4.7,11.8,;-3.93,13.14,;-4.7,14.47,;-3.93,15.8,;-2.39,15.8,;-1.62,17.14,;-.08,17.14,;.69,15.8,;.69,18.47,;-.08,19.8,;.69,21.14,;2.23,21.14,;3,19.8,;4.54,19.8,;5.31,18.47,;6.85,18.47,;7.62,19.8,;9.16,19.8,;6.85,21.14,;5.31,21.14,;2.23,18.47,;3,17.14,;-1.62,14.47,;-2.39,13.14,;-1.62,11.8,;-6.23,11.64,;-5.06,7.83,;-6.3,6.93,;-6.14,5.4,;-4.73,4.77,;-3.49,5.68,;-3.65,7.21,;-4.57,3.24,;-4.41,1.71,)|
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(C)c(-c4cccc(c4)C#N)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(C(C)=O)c(C)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(C4=NC(C)N=C4C)c3=O)cc2)c2c(N)ncnn12 |c:35,t:31|
Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)CC1)C#N
CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
O=C(NCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12)C1CCC1
COc1c(cc(Cl)c(C#N)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
Cn1nccc1CNCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
O=C(NCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12)c1ccco1
NCC1(CC(O)c2ccccc12)c1cccc(c1)-c1ncnc2[nH]ccc12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(C(C)=O)c(C)n(-c4ccccc4)c3=O)cc2)c2c(N)nnnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc4C(=O)CCCc4n(-c4cncc(F)c4)c3=O)cc2)c2c(N)nnnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(C(F)F)c(C)n(-c4ccccn4)c3=O)cc2)c2c(N)nnnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4nn(C)cc4C)c3=O)cc2)c2c(N)ncnn12 |(-12.62,-3.7,;-11.29,-2.93,;-11.29,-1.39,;-9.96,-3.7,;-9.96,-5.24,;-8.62,-2.93,;-7.29,-3.7,;-5.96,-2.93,;-5.96,-1.39,;-7.29,-.62,;-8.62,-1.39,;-4.62,-.62,;-3.22,-1.24,;-2.18,-.1,;-.64,-.1,;.13,-1.43,;1.67,-1.43,;2.44,-.1,;3.98,-.1,;4.75,1.24,;3.98,2.57,;6.29,1.24,;7.06,2.57,;8.6,2.57,;9.37,3.9,;10.91,3.9,;8.6,5.24,;9.37,1.24,;10.91,1.24,;8.6,-.1,;9.37,-1.43,;10.9,-1.59,;11.22,-3.1,;12.62,-3.73,;9.88,-3.87,;8.74,-2.84,;7.23,-3.16,;7.06,-.1,;6.29,-1.43,;1.67,1.24,;.13,1.24,;-2.95,1.24,;-2.48,2.7,;-.97,3.02,;-3.51,3.84,;-5.02,3.52,;-5.49,2.06,;-4.46,.92,)|
CC(C)C(C)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C4CC4)c(=O)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)S(=O)(=O)C1CCN(C)CC1 |r,wU:13.12,wD:3.3,16.16,(-9.33,-2.31,;-7.99,-1.54,;-6.66,-2.31,;-5.33,-1.54,;-5.33,,;-3.99,-2.31,;-2.66,-1.54,;-2.66,,;-1.32,.77,;.01,,;1.47,.48,;2.38,-.77,;1.47,-2.02,;1.95,-3.48,;3.46,-3.8,;3.93,-5.27,;2.9,-6.41,;3.38,-7.87,;1.39,-6.09,;.92,-4.63,;.01,-1.54,;-1.32,-2.31,;1.95,1.94,;3.46,2.26,;3.93,3.73,;2.9,4.87,;1.39,4.55,;.92,3.09,;3.38,6.33,;3.38,7.87,;1.89,6.73,;4.86,5.94,;5.26,4.45,;6.75,4.05,;7.84,5.14,;9.33,4.74,;7.44,6.63,;5.95,7.02,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)S(=O)(=O)C1CCOCC1 |r,wU:13.12,wD:3.3,16.16,(-8.58,-2.31,;-7.25,-1.54,;-5.92,-2.31,;-4.58,-1.54,;-4.58,,;-3.25,-2.31,;-1.91,-1.54,;-1.91,,;-.58,.77,;.75,,;2.22,.48,;3.12,-.77,;2.22,-2.02,;2.69,-3.48,;4.2,-3.8,;4.68,-5.27,;3.64,-6.41,;4.12,-7.87,;2.14,-6.09,;1.66,-4.63,;.75,-1.54,;-.58,-2.31,;2.69,1.94,;4.2,2.26,;4.68,3.73,;3.64,4.87,;2.14,4.55,;1.66,3.09,;4.12,6.33,;4.12,7.87,;2.63,6.73,;5.61,5.94,;6.01,4.45,;7.49,4.05,;8.58,5.14,;8.18,6.63,;6.7,7.02,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)S(=O)(=O)C1CCNCC1 |r,wU:13.12,wD:3.3,16.16,(-8.58,-2.31,;-7.25,-1.54,;-5.92,-2.31,;-4.58,-1.54,;-4.58,,;-3.25,-2.31,;-1.91,-1.54,;-1.91,,;-.58,.77,;.75,,;2.22,.48,;3.12,-.77,;2.22,-2.02,;2.69,-3.48,;4.2,-3.8,;4.68,-5.27,;3.64,-6.41,;4.12,-7.87,;2.14,-6.09,;1.66,-4.63,;.75,-1.54,;-.58,-2.31,;2.69,1.94,;4.2,2.26,;4.68,3.73,;3.64,4.87,;2.14,4.55,;1.66,3.09,;4.12,6.33,;4.12,7.87,;2.63,6.73,;5.61,5.94,;6.01,4.45,;7.49,4.05,;8.58,5.14,;8.18,6.63,;6.7,7.02,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)S(=O)(=O)CCOC |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.31,;-7.59,-1.54,;-6.26,-2.31,;-4.93,-1.54,;-4.93,,;-3.59,-2.31,;-2.26,-1.54,;-2.26,,;-.93,.77,;.41,,;1.87,.48,;2.78,-.77,;1.87,-2.02,;2.35,-3.48,;3.85,-3.8,;4.33,-5.27,;3.3,-6.41,;3.78,-7.87,;1.79,-6.09,;1.32,-4.63,;.41,-1.54,;-.93,-2.31,;2.35,1.94,;3.85,2.26,;4.33,3.73,;3.3,4.87,;1.79,4.55,;1.32,3.09,;3.78,6.33,;3.78,7.87,;2.29,6.73,;5.26,5.94,;5.66,4.45,;7.15,4.05,;8.24,5.14,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)S(C)(=O)=O |r,wU:13.12,wD:3.3,16.16,(-7.1,-2.31,;-5.76,-1.54,;-4.43,-2.31,;-3.09,-1.54,;-3.09,,;-1.76,-2.31,;-.43,-1.54,;-.43,,;.91,.77,;2.24,,;3.7,.48,;4.61,-.77,;3.7,-2.02,;4.18,-3.48,;5.69,-3.8,;6.16,-5.27,;5.13,-6.41,;5.61,-7.87,;3.63,-6.09,;3.15,-4.63,;2.24,-1.54,;.91,-2.31,;4.18,1.94,;5.69,2.26,;6.16,3.73,;5.13,4.87,;3.63,4.55,;3.15,3.09,;5.61,6.33,;7.1,5.94,;5.61,7.87,;4.12,6.73,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CCNCC1 |r,wU:13.12,wD:3.3,16.16,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)CCOC |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;6.35,7.1,;7.84,6.71,;8.93,7.8,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CCOCC1 |r,wU:13.12,wD:3.3,16.16,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CCN(C)CC1 |r,wU:13.12,wD:3.3,16.16,(-9.33,-2.22,;-7.99,-1.45,;-6.66,-2.22,;-5.33,-1.45,;-5.33,.09,;-3.99,-2.22,;-2.66,-1.45,;-2.66,.09,;-1.32,.86,;.01,.09,;1.47,.57,;2.38,-.68,;1.47,-1.92,;1.95,-3.39,;3.46,-3.71,;3.93,-5.17,;2.9,-6.32,;3.38,-7.78,;1.39,-6,;.92,-4.53,;.01,-1.45,;-1.32,-2.22,;1.95,2.03,;3.46,2.35,;3.93,3.82,;2.9,4.96,;1.39,4.64,;.92,3.18,;3.38,6.43,;2.64,7.78,;4.86,6.03,;5.26,4.54,;6.75,4.14,;7.84,5.23,;9.33,4.83,;7.44,6.72,;5.95,7.12,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CC2CCC(C1)N2 |r,wU:12.11,wD:15.15,THB:9:21:28:24.25,(-7.44,-.93,;-6.11,-.16,;-4.78,-.93,;-3.44,-.16,;-2.11,-.93,;-.78,-.16,;-.78,1.38,;.56,2.15,;1.89,1.38,;3.36,1.86,;4.26,.61,;3.36,-.63,;3.83,-2.1,;5.34,-2.42,;5.81,-3.88,;4.78,-5.03,;5.26,-6.49,;3.28,-4.71,;2.8,-3.24,;1.89,-.16,;.56,-.93,;3.83,3.32,;5.18,4.07,;5.96,5.4,;4.87,6.49,;5.01,5.34,;6.1,4.26,;5.32,2.93,;7.44,5,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CNC1 |r,wU:13.12,wD:3.3,16.16,(-8.15,-2.22,;-6.81,-1.45,;-5.48,-2.22,;-4.15,-1.45,;-4.15,.09,;-2.81,-2.22,;-1.48,-1.45,;-1.48,.09,;-.15,.86,;1.19,.09,;2.65,.57,;3.56,-.68,;2.65,-1.92,;3.13,-3.39,;4.64,-3.71,;5.11,-5.17,;4.08,-6.32,;4.56,-7.78,;2.57,-6,;2.1,-4.53,;1.19,-1.45,;-.15,-2.22,;3.13,2.03,;4.64,2.35,;5.11,3.82,;4.08,4.96,;2.57,4.64,;2.1,3.18,;4.56,6.43,;3.82,7.78,;6.04,6.03,;6.81,4.7,;8.15,5.47,;7.38,6.8,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CN(C)C1 |r,wU:13.12,wD:3.3,16.16,(-8.89,-2.22,;-7.56,-1.45,;-6.22,-2.22,;-4.89,-1.45,;-4.89,.09,;-3.56,-2.22,;-2.22,-1.45,;-2.22,.09,;-.89,.86,;.44,.09,;1.91,.57,;2.81,-.68,;1.91,-1.92,;2.38,-3.39,;3.89,-3.71,;4.37,-5.17,;3.34,-6.32,;3.81,-7.78,;1.83,-6,;1.35,-4.53,;.44,-1.45,;-.89,-2.22,;2.38,2.03,;3.89,2.35,;4.37,3.82,;3.34,4.96,;1.83,4.64,;1.35,3.18,;3.81,6.43,;3.08,7.78,;5.3,6.03,;6.07,4.7,;7.4,5.47,;8.89,5.07,;6.63,6.8,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CCCN1 |r,wU:13.12,wD:3.3,16.16,(-8.33,-2.22,;-7,-1.45,;-5.67,-2.22,;-4.33,-1.45,;-4.33,.09,;-3,-2.22,;-1.67,-1.45,;-1.67,.09,;-.33,.86,;1,.09,;2.47,.57,;3.37,-.68,;2.47,-1.92,;2.94,-3.39,;4.45,-3.71,;4.92,-5.17,;3.89,-6.32,;4.37,-7.78,;2.39,-6,;1.91,-4.53,;1,-1.45,;-.33,-2.22,;2.94,2.03,;4.45,2.35,;4.92,3.82,;3.89,4.96,;2.39,4.64,;1.91,3.18,;4.37,6.43,;3.63,7.78,;5.86,6.03,;6.48,4.62,;8.01,4.78,;8.33,6.29,;7,7.06,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CCCN1C |r,wU:13.12,wD:3.3,16.16,(-8.33,-2.62,;-7,-1.85,;-5.67,-2.62,;-4.33,-1.85,;-4.33,-.31,;-3,-2.62,;-1.67,-1.85,;-1.67,-.31,;-.33,.46,;1,-.31,;2.47,.16,;3.37,-1.08,;2.47,-2.33,;2.94,-3.79,;4.45,-4.11,;4.92,-5.58,;3.89,-6.72,;4.37,-8.19,;2.39,-6.4,;1.91,-4.94,;1,-1.85,;-.33,-2.62,;2.94,1.63,;4.45,1.95,;4.92,3.41,;3.89,4.56,;2.39,4.24,;1.91,2.77,;4.37,6.02,;3.63,7.38,;5.86,5.62,;6.48,4.22,;8.01,4.38,;8.33,5.88,;7,6.65,;6.84,8.19,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CCNC1 |r,wU:13.12,wD:3.3,16.16,(-8.33,-2.22,;-7,-1.45,;-5.67,-2.22,;-4.33,-1.45,;-4.33,.09,;-3,-2.22,;-1.67,-1.45,;-1.67,.09,;-.33,.86,;1,.09,;2.47,.57,;3.37,-.68,;2.47,-1.92,;2.94,-3.39,;4.45,-3.71,;4.92,-5.17,;3.89,-6.32,;4.37,-7.78,;2.39,-6,;1.91,-4.53,;1,-1.45,;-.33,-2.22,;2.94,2.03,;4.45,2.35,;4.92,3.82,;3.89,4.96,;2.39,4.64,;1.91,3.18,;4.37,6.43,;3.63,7.78,;5.86,6.03,;6.48,4.62,;8.01,4.78,;8.33,6.29,;7,7.06,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CCN(C)C1 |r,wU:13.12,wD:3.3,16.16,(-9.04,-2.22,;-7.7,-1.45,;-6.37,-2.22,;-5.04,-1.45,;-5.04,.09,;-3.7,-2.22,;-2.37,-1.45,;-2.37,.09,;-1.04,.86,;.3,.09,;1.76,.57,;2.67,-.68,;1.76,-1.92,;2.24,-3.39,;3.74,-3.71,;4.22,-5.17,;3.19,-6.32,;3.67,-7.78,;1.68,-6,;1.21,-4.53,;.3,-1.45,;-1.04,-2.22,;2.24,2.03,;3.74,2.35,;4.22,3.82,;3.19,4.96,;1.68,4.64,;1.21,3.18,;3.67,6.43,;2.93,7.78,;5.15,6.03,;5.78,4.62,;7.31,4.78,;7.63,6.29,;9.04,6.92,;6.3,7.06,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CCCCN1 |r,wU:13.12,wD:3.3,16.16,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CCCCN1C |r,wU:13.12,wD:3.3,16.16,(-8.58,-2.63,;-7.25,-1.86,;-5.92,-2.63,;-4.58,-1.86,;-4.58,-.32,;-3.25,-2.63,;-1.91,-1.86,;-1.91,-.32,;-.58,.45,;.75,-.32,;2.22,.16,;3.12,-1.09,;2.22,-2.33,;2.69,-3.8,;4.2,-4.12,;4.68,-5.58,;3.64,-6.73,;4.12,-8.19,;2.14,-6.41,;1.66,-4.94,;.75,-1.86,;-.58,-2.63,;2.69,1.62,;4.2,1.94,;4.68,3.41,;3.64,4.55,;2.14,4.23,;1.66,2.77,;4.12,6.02,;3.39,7.37,;5.61,5.62,;6.01,4.13,;7.49,3.73,;8.58,4.82,;8.18,6.31,;6.7,6.71,;6.3,8.19,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)[C@@H]1CCCCN1C |r,wU:13.12,30.33,wD:3.3,16.16,(-8.58,-2.63,;-7.25,-1.86,;-5.92,-2.63,;-4.58,-1.86,;-4.58,-.32,;-3.25,-2.63,;-1.91,-1.86,;-1.91,-.32,;-.58,.45,;.75,-.32,;2.22,.16,;3.12,-1.09,;2.22,-2.33,;2.69,-3.8,;4.2,-4.12,;4.68,-5.58,;3.64,-6.73,;4.12,-8.19,;2.14,-6.41,;1.66,-4.94,;.75,-1.86,;-.58,-2.63,;2.69,1.62,;4.2,1.94,;4.68,3.41,;3.64,4.55,;2.14,4.23,;1.66,2.77,;4.12,6.02,;3.39,7.37,;5.61,5.62,;6.01,4.13,;7.49,3.73,;8.58,4.82,;8.18,6.31,;6.7,6.71,;6.3,8.19,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)[C@@H]1CCCNC1 |r,wU:13.12,30.33,wD:3.3,16.16,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)[C@H]1CCCNC1 |r,wU:13.12,wD:3.3,16.16,30.33,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CCCN(C)C1 |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;5.66,4.53,;7.15,4.13,;8.24,5.22,;7.84,6.71,;8.93,7.79,;6.35,7.1,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)[C@H]1CCCN(C)C1 |r,wU:13.12,wD:3.3,16.16,30.33,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;5.66,4.53,;7.15,4.13,;8.24,5.22,;7.84,6.71,;8.93,7.79,;6.35,7.1,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccncc1 |r,wU:13.12,wD:3.3,16.16,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cccnc1 |r,wU:13.12,wD:3.3,16.16,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccccn1 |r,wU:13.12,wD:3.3,16.16,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccccc1 |r,wU:13.12,wD:3.3,16.16,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccc(OC)cc1 |r,wU:13.12,wD:3.3,16.16,(-7.11,-4.17,;-5.78,-3.4,;-4.44,-4.17,;-3.11,-3.4,;-3.11,-1.86,;-1.78,-4.17,;-.44,-3.4,;-.44,-1.86,;.89,-1.09,;2.22,-1.86,;3.69,-1.38,;4.59,-2.63,;3.69,-3.88,;4.16,-5.34,;5.67,-5.66,;6.15,-7.12,;5.12,-8.27,;5.59,-9.73,;3.61,-7.95,;3.13,-6.48,;2.22,-3.4,;.89,-4.17,;4.16,.08,;5.67,.4,;6.15,1.87,;5.12,3.01,;3.61,2.69,;3.13,1.23,;5.59,4.47,;7.11,4.72,;4.76,5.77,;5.51,7.12,;4.72,8.44,;3.18,8.41,;2.39,9.73,;3.35,10.93,;2.43,7.07,;3.22,5.75,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cccc(OC)c1 |r,wU:13.12,wD:3.3,16.16,(-7.11,-3.52,;-5.78,-2.75,;-4.44,-3.52,;-3.11,-2.75,;-3.11,-1.21,;-1.78,-3.52,;-.44,-2.75,;-.44,-1.21,;.89,-.44,;2.22,-1.21,;3.69,-.74,;4.59,-1.98,;3.69,-3.23,;4.16,-4.69,;5.67,-5.01,;6.15,-6.48,;5.12,-7.62,;5.59,-9.09,;3.61,-7.3,;3.13,-5.84,;2.22,-2.75,;.89,-3.52,;4.16,.73,;5.67,1.05,;6.15,2.51,;5.12,3.66,;3.61,3.34,;3.13,1.87,;5.59,5.12,;7.11,5.37,;4.76,6.42,;5.51,7.77,;4.72,9.09,;3.18,9.06,;2.43,7.71,;.89,7.69,;.34,9.12,;3.22,6.39,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccccc1OC |r,wU:13.12,wD:3.3,16.16,(-7.11,-3.52,;-5.78,-2.75,;-4.44,-3.52,;-3.11,-2.75,;-3.11,-1.21,;-1.78,-3.52,;-.44,-2.75,;-.44,-1.21,;.89,-.44,;2.22,-1.21,;3.69,-.74,;4.59,-1.98,;3.69,-3.23,;4.16,-4.69,;5.67,-5.01,;6.15,-6.48,;5.12,-7.62,;5.59,-9.09,;3.61,-7.3,;3.13,-5.84,;2.22,-2.75,;.89,-3.52,;4.16,.73,;5.67,1.05,;6.15,2.51,;5.12,3.66,;3.61,3.34,;3.13,1.87,;5.59,5.12,;7.11,5.37,;4.76,6.42,;5.51,7.77,;4.72,9.09,;3.18,9.06,;2.43,7.71,;3.22,6.39,;2.48,5.05,;.96,5.29,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;6.35,7.1,;7.84,6.71,;8.93,7.79,;8.24,5.22,;7.15,4.13,;7.55,2.64,;5.66,4.53,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccnc(C)c1 |r,wU:13.12,wD:3.3,16.16,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.7,7.12,;8.18,6.72,;8.58,5.23,;7.49,4.14,;7.89,2.66,;6.01,4.54,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)C1CCN(CCF)CC1 |r,wU:13.12,wD:3.3,16.16,(-10.62,-2.22,;-9.28,-1.45,;-7.95,-2.22,;-6.61,-1.45,;-6.61,.09,;-5.28,-2.22,;-3.95,-1.45,;-3.95,.09,;-2.61,.86,;-1.28,.09,;.19,.57,;1.09,-.68,;.19,-1.92,;.66,-3.39,;2.17,-3.71,;2.64,-5.17,;1.61,-6.32,;2.09,-7.78,;.11,-6,;-.37,-4.53,;-1.28,-1.45,;-2.61,-2.22,;.66,2.03,;2.17,2.35,;2.64,3.82,;1.61,4.96,;.11,4.64,;-.37,3.18,;2.09,6.43,;1.35,7.78,;3.58,6.03,;3.97,4.54,;5.46,4.14,;6.55,5.23,;8.04,4.83,;9.13,5.92,;10.62,5.52,;6.15,6.72,;4.67,7.12,)|
CC[C@H]1C[C@@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccncc1 |r,wU:13.13,2.1,wD:4.5,16.17,(-8.02,-3.76,;-8.02,-2.22,;-6.69,-1.45,;-5.92,-.11,;-5.15,-1.45,;-3.81,-2.22,;-2.48,-1.45,;-2.48,.09,;-1.14,.86,;.19,.09,;1.65,.57,;2.56,-.68,;1.65,-1.92,;2.13,-3.39,;3.64,-3.71,;4.11,-5.17,;3.08,-6.32,;3.56,-7.78,;1.57,-6,;1.1,-4.53,;.19,-1.45,;-1.14,-2.22,;2.13,2.03,;3.64,2.35,;4.11,3.82,;3.08,4.96,;1.57,4.64,;1.1,3.18,;3.56,6.43,;2.82,7.78,;5.04,6.03,;5.44,4.54,;6.93,4.14,;8.02,5.23,;7.62,6.72,;6.13,7.12,)|
CC[C@@H]1C[C@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccncc1 |r,wU:4.5,13.13,wD:16.17,2.1,(-8.02,-3.76,;-8.02,-2.22,;-6.69,-1.45,;-5.92,-.11,;-5.15,-1.45,;-3.81,-2.22,;-2.48,-1.45,;-2.48,.09,;-1.14,.86,;.19,.09,;1.65,.57,;2.56,-.68,;1.65,-1.92,;2.13,-3.39,;3.64,-3.71,;4.11,-5.17,;3.08,-6.32,;3.56,-7.78,;1.57,-6,;1.1,-4.53,;.19,-1.45,;-1.14,-2.22,;2.13,2.03,;3.64,2.35,;4.11,3.82,;3.08,4.96,;1.57,4.64,;1.1,3.18,;3.56,6.43,;2.82,7.78,;5.04,6.03,;5.44,4.54,;6.93,4.14,;8.02,5.23,;7.62,6.72,;6.13,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(-7.34,-3,;-6.01,-2.23,;-4.68,-3,;-3.34,-2.23,;-3.34,-.69,;-2.01,-3,;-.67,-2.23,;-.67,-.69,;.66,.08,;1.99,-.69,;3.46,-.22,;4.36,-1.46,;3.46,-2.71,;3.93,-4.18,;5.44,-4.5,;5.92,-5.96,;4.88,-7.1,;5.36,-8.57,;3.38,-6.78,;2.9,-5.32,;1.99,-2.23,;.66,-3,;3.93,1.25,;5.44,1.57,;5.92,3.03,;4.88,4.18,;3.38,3.86,;2.9,2.39,;5.36,5.64,;6.87,5.96,;7.34,7.42,;6.31,8.57,;4.81,8.25,;4.33,6.78,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C1CCN(C)CC1 |r,wU:13.12,wD:16.16,3.3,(-7.34,-3.74,;-6.01,-2.97,;-4.68,-3.74,;-3.34,-2.97,;-3.34,-1.43,;-2.01,-3.74,;-.67,-2.97,;-.67,-1.43,;.66,-.66,;1.99,-1.43,;3.46,-.95,;4.36,-2.2,;3.46,-3.44,;3.93,-4.91,;5.44,-5.23,;5.92,-6.69,;4.88,-7.84,;5.36,-9.3,;3.38,-7.52,;2.9,-6.05,;1.99,-2.97,;.66,-3.74,;3.93,.51,;5.44,.83,;5.92,2.3,;4.88,3.44,;3.38,3.12,;2.9,1.66,;5.36,4.91,;6.87,5.23,;7.34,6.69,;6.31,7.84,;6.79,9.3,;4.81,7.52,;4.33,6.05,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC2CCNCC2)CC1 |r,wU:13.12,wD:16.16,3.3,(-8.61,-2.59,;-7.28,-1.82,;-5.94,-2.59,;-4.61,-1.82,;-4.61,-.28,;-3.28,-2.59,;-1.94,-1.82,;-1.94,-.28,;-.61,.49,;.72,-.28,;2.19,.19,;3.09,-1.05,;2.19,-2.3,;2.66,-3.76,;4.17,-4.08,;4.65,-5.55,;3.62,-6.69,;4.09,-8.16,;2.11,-6.37,;1.63,-4.91,;.72,-1.82,;-.61,-2.59,;2.66,1.66,;4.17,1.98,;4.65,3.44,;3.62,4.59,;4.09,6.05,;5.6,6.37,;6.63,5.23,;8.14,5.55,;8.61,7.01,;7.58,8.16,;6.07,7.84,;2.11,4.27,;1.63,2.8,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC2CCN(C)CC2)CC1 |r,wU:13.12,wD:16.16,3.3,(-9.36,-2.59,;-8.03,-1.82,;-6.7,-2.59,;-5.36,-1.82,;-5.36,-.28,;-4.03,-2.59,;-2.7,-1.82,;-2.7,-.28,;-1.36,.49,;-.03,-.28,;1.44,.19,;2.34,-1.05,;1.44,-2.3,;1.91,-3.76,;3.42,-4.08,;3.89,-5.55,;2.86,-6.69,;3.34,-8.16,;1.36,-6.37,;.88,-4.91,;-.03,-1.82,;-1.36,-2.59,;1.91,1.66,;3.42,1.98,;3.89,3.44,;2.86,4.59,;3.34,6.05,;4.85,6.37,;5.88,5.23,;7.38,5.55,;7.86,7.01,;9.36,7.33,;6.83,8.16,;5.32,7.84,;1.36,4.27,;.88,2.8,)|
CC[C@H]1C[C@@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.13,2.1,wD:4.5,16.17,(-8.36,-3.77,;-8.36,-2.23,;-7.03,-1.46,;-6.26,-.13,;-5.49,-1.46,;-4.16,-2.23,;-2.82,-1.46,;-2.82,.08,;-1.49,.85,;-.16,.08,;1.31,.56,;2.21,-.69,;1.31,-1.94,;1.78,-3.4,;3.29,-3.72,;3.77,-5.19,;2.74,-6.33,;3.21,-7.79,;1.23,-6.01,;.75,-4.55,;-.16,-1.46,;-1.49,-2.23,;1.78,2.02,;3.29,2.34,;3.77,3.81,;2.74,4.95,;1.23,4.63,;.75,3.16,;3.21,6.41,;2.48,7.77,;4.7,6.02,;5.79,7.1,;7.28,6.71,;8.36,7.79,;7.67,5.22,;6.59,4.13,;6.98,2.64,;5.1,4.53,)|
CC[C@@H]1C[C@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:4.5,13.13,wD:16.17,2.1,(-8.36,-3.77,;-8.36,-2.23,;-7.03,-1.46,;-6.26,-.13,;-5.49,-1.46,;-4.16,-2.23,;-2.82,-1.46,;-2.82,.08,;-1.49,.85,;-.16,.08,;1.31,.56,;2.21,-.69,;1.31,-1.94,;1.78,-3.4,;3.29,-3.72,;3.77,-5.19,;2.74,-6.33,;3.21,-7.79,;1.23,-6.01,;.75,-4.55,;-.16,-1.46,;-1.49,-2.23,;1.78,2.02,;3.29,2.34,;3.77,3.81,;2.74,4.95,;1.23,4.63,;.75,3.16,;3.21,6.41,;2.48,7.77,;4.7,6.02,;5.79,7.1,;7.28,6.71,;8.36,7.79,;7.67,5.22,;6.59,4.13,;6.98,2.64,;5.1,4.53,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1nccs1 |r,wU:13.12,wD:16.16,3.3,(-8.33,-2.22,;-7,-1.45,;-5.67,-2.22,;-4.33,-1.45,;-4.33,.09,;-3,-2.22,;-1.67,-1.45,;-1.67,.09,;-.33,.86,;1,.09,;2.47,.57,;3.37,-.68,;2.47,-1.92,;2.94,-3.39,;4.45,-3.71,;4.92,-5.17,;3.89,-6.32,;4.37,-7.78,;2.39,-6,;1.91,-4.53,;1,-1.45,;-.33,-2.22,;2.94,2.03,;4.45,2.35,;4.92,3.82,;3.89,4.96,;2.39,4.64,;1.91,3.18,;4.37,6.43,;3.63,7.78,;5.86,6.03,;6.48,4.62,;8.01,4.78,;8.33,6.29,;7,7.06,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cscn1 |r,wU:13.12,wD:16.16,3.3,(-8.33,-2.22,;-7,-1.45,;-5.67,-2.22,;-4.33,-1.45,;-4.33,.09,;-3,-2.22,;-1.67,-1.45,;-1.67,.09,;-.33,.86,;1,.09,;2.47,.57,;3.37,-.68,;2.47,-1.92,;2.94,-3.39,;4.45,-3.71,;4.92,-5.17,;3.89,-6.32,;4.37,-7.78,;2.39,-6,;1.91,-4.53,;1,-1.45,;-.33,-2.22,;2.94,2.03,;4.45,2.35,;4.92,3.82,;3.89,4.96,;2.39,4.64,;1.91,3.18,;4.37,6.43,;3.63,7.78,;5.86,6.03,;7,7.06,;8.33,6.29,;8.01,4.78,;6.48,4.62,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cncs1 |r,wU:13.12,wD:16.16,3.3,(-8.33,-2.22,;-7,-1.45,;-5.67,-2.22,;-4.33,-1.45,;-4.33,.09,;-3,-2.22,;-1.67,-1.45,;-1.67,.09,;-.33,.86,;1,.09,;2.47,.57,;3.37,-.68,;2.47,-1.92,;2.94,-3.39,;4.45,-3.71,;4.92,-5.17,;3.89,-6.32,;4.37,-7.78,;2.39,-6,;1.91,-4.53,;1,-1.45,;-.33,-2.22,;2.94,2.03,;4.45,2.35,;4.92,3.82,;3.89,4.96,;2.39,4.64,;1.91,3.18,;4.37,6.43,;3.63,7.78,;5.86,6.03,;7,7.06,;8.33,6.29,;8.01,4.78,;6.48,4.62,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccc[nH]1 |r,wU:13.12,wD:16.16,3.3,(-8.33,-2.22,;-7,-1.45,;-5.67,-2.22,;-4.33,-1.45,;-4.33,.09,;-3,-2.22,;-1.67,-1.45,;-1.67,.09,;-.33,.86,;1,.09,;2.47,.57,;3.37,-.68,;2.47,-1.92,;2.94,-3.39,;4.45,-3.71,;4.92,-5.17,;3.89,-6.32,;4.37,-7.78,;2.39,-6,;1.91,-4.53,;1,-1.45,;-.33,-2.22,;2.94,2.03,;4.45,2.35,;4.92,3.82,;3.89,4.96,;2.39,4.64,;1.91,3.18,;4.37,6.43,;3.63,7.78,;5.86,6.03,;7,7.06,;8.33,6.29,;8.01,4.78,;6.48,4.62,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc[nH]c1 |r,wU:13.12,wD:16.16,3.3,(-8.33,-2.22,;-7,-1.45,;-5.67,-2.22,;-4.33,-1.45,;-4.33,.09,;-3,-2.22,;-1.67,-1.45,;-1.67,.09,;-.33,.86,;1,.09,;2.47,.57,;3.37,-.68,;2.47,-1.92,;2.94,-3.39,;4.45,-3.71,;4.92,-5.17,;3.89,-6.32,;4.37,-7.78,;2.39,-6,;1.91,-4.53,;1,-1.45,;-.33,-2.22,;2.94,2.03,;4.45,2.35,;4.92,3.82,;3.89,4.96,;2.39,4.64,;1.91,3.18,;4.37,6.43,;3.63,7.78,;5.86,6.03,;6.48,4.62,;8.01,4.78,;8.33,6.29,;7,7.06,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ncc[nH]1 |r,wU:13.12,wD:16.16,3.3,(-8.33,-2.22,;-7,-1.45,;-5.67,-2.22,;-4.33,-1.45,;-4.33,.09,;-3,-2.22,;-1.67,-1.45,;-1.67,.09,;-.33,.86,;1,.09,;2.47,.57,;3.37,-.68,;2.47,-1.92,;2.94,-3.39,;4.45,-3.71,;4.92,-5.17,;3.89,-6.32,;4.37,-7.78,;2.39,-6,;1.91,-4.53,;1,-1.45,;-.33,-2.22,;2.94,2.03,;4.45,2.35,;4.92,3.82,;3.89,4.96,;2.39,4.64,;1.91,3.18,;4.37,6.43,;3.63,7.78,;5.86,6.03,;6.48,4.62,;8.01,4.78,;8.33,6.29,;7,7.06,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cccnn1 |r,wU:13.12,wD:16.16,3.3,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
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CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccncn1 |r,wU:13.12,wD:16.16,3.3,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cncnc1 |r,wU:13.12,wD:16.16,3.3,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cnccn1 |r,wU:13.12,wD:16.16,3.3,(-8.58,-2.22,;-7.25,-1.45,;-5.92,-2.22,;-4.58,-1.45,;-4.58,.09,;-3.25,-2.22,;-1.91,-1.45,;-1.91,.09,;-.58,.86,;.75,.09,;2.22,.57,;3.12,-.68,;2.22,-1.92,;2.69,-3.39,;4.2,-3.71,;4.68,-5.17,;3.64,-6.32,;4.12,-7.78,;2.14,-6,;1.66,-4.53,;.75,-1.45,;-.58,-2.22,;2.69,2.03,;4.2,2.35,;4.68,3.82,;3.64,4.96,;2.14,4.64,;1.66,3.18,;4.12,6.43,;3.39,7.78,;5.61,6.03,;6.01,4.54,;7.49,4.14,;8.58,5.23,;8.18,6.72,;6.7,7.12,)|
CCC(CC)CNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:14.13,wD:17.17,(-8.89,-3.32,;-7.56,-2.55,;-6.22,-3.32,;-6.22,-4.86,;-7.56,-5.63,;-4.89,-2.55,;-3.55,-3.32,;-2.22,-2.55,;-2.22,-1.01,;-.89,-.24,;.45,-1.01,;1.91,-.54,;2.82,-1.78,;1.91,-3.03,;2.39,-4.5,;3.89,-4.82,;4.37,-6.28,;3.34,-7.42,;3.82,-8.89,;1.83,-7.1,;1.36,-5.64,;.45,-2.55,;-.89,-3.32,;2.39,.93,;3.89,1.25,;4.37,2.71,;3.34,3.86,;1.83,3.53,;1.36,2.07,;3.82,5.32,;2.78,6.46,;5.32,5.64,;5.8,7.1,;7.3,7.42,;7.78,8.89,;8.33,6.28,;7.86,4.82,;8.89,3.67,;6.35,4.5,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:12.11,wD:15.15,(-8.89,-3.32,;-7.56,-2.55,;-6.22,-3.32,;-4.89,-2.55,;-3.55,-3.32,;-2.22,-2.55,;-2.22,-1.01,;-.89,-.24,;.45,-1.01,;1.91,-.54,;2.82,-1.78,;1.91,-3.03,;2.39,-4.5,;3.89,-4.82,;4.37,-6.28,;3.34,-7.42,;3.82,-8.89,;1.83,-7.1,;1.36,-5.64,;.45,-2.55,;-.89,-3.32,;2.39,.93,;3.89,1.25,;4.37,2.71,;3.34,3.86,;1.83,3.53,;1.36,2.07,;3.82,5.32,;2.78,6.46,;5.32,5.64,;5.8,7.1,;7.3,7.42,;7.78,8.89,;8.33,6.28,;7.86,4.82,;8.89,3.67,;6.35,4.5,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)cc(C)c1 |r,wU:13.12,wD:16.16,3.3,(-8.89,-3.32,;-7.56,-2.55,;-6.22,-3.32,;-4.89,-2.55,;-4.89,-1.01,;-3.55,-3.32,;-2.22,-2.55,;-2.22,-1.01,;-.89,-.24,;.45,-1.01,;1.91,-.54,;2.82,-1.78,;1.91,-3.03,;2.39,-4.5,;3.89,-4.82,;4.37,-6.28,;3.34,-7.42,;3.82,-8.89,;1.83,-7.1,;1.36,-5.64,;.45,-2.55,;-.89,-3.32,;2.39,.93,;3.89,1.25,;4.37,2.71,;3.34,3.86,;1.83,3.53,;1.36,2.07,;3.82,5.32,;2.78,6.46,;5.32,5.64,;5.8,7.1,;7.3,7.42,;7.78,8.89,;8.33,6.28,;7.86,4.82,;8.89,3.67,;6.35,4.5,)|
Cc1cc(cc(C)n1)C(=O)N1CCC(CC1)c1cn([C@H]2CC[C@H](O)CC2)c2nc(NCCC3CC3)ncc12 |r,wU:19.20,wD:22.24,(7.88,8.63,;7.41,7.16,;5.9,6.84,;5.42,5.38,;6.46,4.23,;7.96,4.55,;8.99,3.41,;8.44,6.02,;3.92,5.06,;2.89,6.2,;3.44,3.59,;4.47,2.45,;4,.98,;2.49,.66,;1.46,1.81,;1.94,3.27,;2.01,-.8,;2.92,-2.05,;2.01,-3.29,;2.78,-4.63,;4.32,-4.63,;5.09,-5.96,;4.32,-7.29,;5.09,-8.63,;2.78,-7.29,;2.01,-5.96,;.55,-2.82,;-.78,-3.59,;-2.12,-2.82,;-3.45,-3.59,;-4.78,-2.82,;-6.12,-3.59,;-7.45,-2.82,;-8.22,-1.48,;-8.99,-2.82,;-2.12,-1.28,;-.78,-.51,;.55,-1.28,)|
Cc1cc(cc(C)n1)C(=O)N1CCC(CC1)c1cn([C@H]2CC[C@H](O)CC2)c2nc(NCc3ccccc3)ncc12 |r,wU:19.20,wD:22.24,(7.78,8.63,;7.3,7.16,;5.8,6.84,;5.32,5.38,;6.35,4.23,;7.86,4.55,;8.89,3.41,;8.33,6.02,;3.82,5.06,;2.78,6.2,;3.34,3.59,;4.37,2.45,;3.89,.98,;2.39,.66,;1.36,1.81,;1.83,3.27,;1.91,-.8,;2.82,-2.05,;1.91,-3.29,;2.68,-4.63,;4.22,-4.63,;4.99,-5.96,;4.22,-7.29,;4.99,-8.63,;2.68,-7.29,;1.91,-5.96,;.45,-2.82,;-.89,-3.59,;-2.22,-2.82,;-3.55,-3.59,;-4.89,-2.82,;-6.22,-3.59,;-7.56,-2.82,;-8.89,-3.59,;-8.89,-5.13,;-7.56,-5.9,;-6.22,-5.13,;-2.22,-1.28,;-.89,-.51,;.45,-1.28,)|
C[C@H](Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1)c1ccccc1 |r,wU:10.9,wD:13.13,1.0,(-4.89,-1.28,;-4.89,-2.82,;-3.55,-3.59,;-2.22,-2.82,;-2.22,-1.28,;-.89,-.51,;.45,-1.28,;1.91,-.8,;2.82,-2.05,;1.91,-3.29,;2.68,-4.63,;4.22,-4.63,;4.99,-5.96,;4.22,-7.29,;4.99,-8.63,;2.68,-7.29,;1.91,-5.96,;.45,-2.82,;-.89,-3.59,;2.39,.66,;3.89,.98,;4.37,2.45,;3.34,3.59,;1.83,3.27,;1.36,1.81,;3.82,5.06,;2.78,6.2,;5.32,5.38,;5.8,6.84,;7.3,7.16,;7.78,8.63,;8.33,6.02,;7.86,4.55,;8.89,3.41,;6.35,4.23,;-6.22,-3.59,;-7.56,-2.82,;-8.89,-3.59,;-8.89,-5.13,;-7.56,-5.9,;-6.22,-5.13,)|
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CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(OC)cc(OC)c1 |r,wU:13.12,wD:16.16,3.3,(-9.64,-3.48,;-8.31,-2.71,;-6.97,-3.48,;-5.64,-2.71,;-5.64,-1.17,;-4.31,-3.48,;-2.97,-2.71,;-2.97,-1.17,;-1.64,-.4,;-.31,-1.17,;1.16,-.7,;2.06,-1.94,;1.16,-3.19,;1.63,-4.66,;3.14,-4.98,;3.62,-6.44,;2.59,-7.58,;3.06,-9.05,;1.08,-7.26,;.6,-5.8,;-.31,-2.71,;-1.64,-3.48,;1.63,.77,;3.14,1.09,;3.62,2.55,;2.59,3.69,;1.08,3.37,;.6,1.91,;3.06,5.16,;2.03,6.3,;4.57,5.48,;5.04,6.94,;6.55,7.26,;7.03,8.73,;8.53,9.05,;7.58,6.12,;7.11,4.66,;8.14,3.51,;9.64,3.83,;5.6,4.34,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(F)cc(F)c1 |r,wU:13.12,wD:16.16,3.3,(-8.89,-3.32,;-7.56,-2.55,;-6.22,-3.32,;-4.89,-2.55,;-4.89,-1.01,;-3.55,-3.32,;-2.22,-2.55,;-2.22,-1.01,;-.89,-.24,;.45,-1.01,;1.91,-.54,;2.82,-1.78,;1.91,-3.03,;2.39,-4.5,;3.89,-4.82,;4.37,-6.28,;3.34,-7.42,;3.82,-8.89,;1.83,-7.1,;1.36,-5.64,;.45,-2.55,;-.89,-3.32,;2.39,.93,;3.89,1.25,;4.37,2.71,;3.34,3.86,;1.83,3.53,;1.36,2.07,;3.82,5.32,;2.78,6.46,;5.32,5.64,;5.8,7.1,;7.3,7.42,;7.78,8.89,;8.33,6.28,;7.86,4.82,;8.89,3.67,;6.35,4.5,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccc(N)cc1 |r,wU:13.12,wD:16.16,3.3,(-9.36,-2.59,;-8.03,-1.82,;-6.7,-2.59,;-5.36,-1.82,;-5.36,-.28,;-4.03,-2.59,;-2.7,-1.82,;-2.7,-.28,;-1.36,.49,;-.03,-.28,;1.44,.19,;2.34,-1.05,;1.44,-2.3,;1.91,-3.76,;3.42,-4.08,;3.89,-5.55,;2.86,-6.69,;3.34,-8.16,;1.36,-6.37,;.88,-4.91,;-.03,-1.82,;-1.36,-2.59,;1.91,1.66,;3.42,1.98,;3.89,3.44,;2.86,4.59,;1.36,4.27,;.88,2.8,;3.34,6.05,;2.31,7.2,;4.85,6.37,;5.88,5.23,;7.38,5.55,;7.86,7.01,;9.36,7.33,;6.83,8.16,;5.32,7.84,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccc(NC)cc1 |r,wU:13.12,wD:16.16,3.3,(-9.88,-2.59,;-8.55,-1.82,;-7.21,-2.59,;-5.88,-1.82,;-5.88,-.28,;-4.55,-2.59,;-3.21,-1.82,;-3.21,-.28,;-1.88,.49,;-.54,-.28,;.92,.19,;1.83,-1.05,;.92,-2.3,;1.4,-3.76,;2.9,-4.08,;3.38,-5.55,;2.35,-6.69,;2.82,-8.16,;.84,-6.37,;.37,-4.91,;-.54,-1.82,;-1.88,-2.59,;1.4,1.66,;2.9,1.98,;3.38,3.44,;2.35,4.59,;.84,4.27,;.37,2.8,;2.82,6.05,;1.79,7.2,;4.33,6.37,;5.36,5.23,;6.87,5.55,;7.34,7.01,;8.85,7.33,;9.88,6.19,;6.31,8.16,;4.81,7.84,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccc(Cl)cc1 |r,wU:13.12,wD:16.16,3.3,(-9.36,-2.59,;-8.03,-1.82,;-6.7,-2.59,;-5.36,-1.82,;-5.36,-.28,;-4.03,-2.59,;-2.7,-1.82,;-2.7,-.28,;-1.36,.49,;-.03,-.28,;1.44,.19,;2.34,-1.05,;1.44,-2.3,;1.91,-3.76,;3.42,-4.08,;3.89,-5.55,;2.86,-6.69,;3.34,-8.16,;1.36,-6.37,;.88,-4.91,;-.03,-1.82,;-1.36,-2.59,;1.91,1.66,;3.42,1.98,;3.89,3.44,;2.86,4.59,;1.36,4.27,;.88,2.8,;3.34,6.05,;2.31,7.2,;4.85,6.37,;5.88,5.23,;7.38,5.55,;7.86,7.01,;9.36,7.33,;6.83,8.16,;5.32,7.84,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccc(CNC)cc1 |r,wU:13.12,wD:16.16,3.3,(-9.88,-2.59,;-8.55,-1.82,;-7.21,-2.59,;-5.88,-1.82,;-5.88,-.28,;-4.55,-2.59,;-3.21,-1.82,;-3.21,-.28,;-1.88,.49,;-.54,-.28,;.92,.19,;1.83,-1.05,;.92,-2.3,;1.4,-3.76,;2.9,-4.08,;3.38,-5.55,;2.35,-6.69,;2.82,-8.16,;.84,-6.37,;.37,-4.91,;-.54,-1.82,;-1.88,-2.59,;1.4,1.66,;2.9,1.98,;3.38,3.44,;2.35,4.59,;.84,4.27,;.37,2.8,;2.82,6.05,;1.79,7.2,;4.33,6.37,;5.36,5.23,;6.87,5.55,;7.34,7.01,;8.85,7.33,;9.88,6.19,;9.4,4.72,;6.31,8.16,;4.81,7.84,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](CO)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:16.16,3.3,(-8.89,-3.16,;-7.56,-2.39,;-6.22,-3.16,;-4.89,-2.39,;-4.89,-.85,;-3.55,-3.16,;-2.22,-2.39,;-2.22,-.85,;-.89,-.08,;.45,-.85,;1.91,-.38,;2.82,-1.62,;1.91,-2.87,;2.39,-4.34,;3.89,-4.66,;4.37,-6.12,;3.34,-7.26,;3.82,-8.73,;5.32,-9.05,;1.83,-6.94,;1.36,-5.48,;.45,-2.39,;-.89,-3.16,;2.39,1.09,;3.89,1.41,;4.37,2.87,;3.34,4.02,;1.83,3.69,;1.36,2.23,;3.82,5.48,;2.78,6.62,;5.32,5.8,;5.8,7.26,;7.3,7.58,;7.78,9.05,;8.33,6.44,;7.86,4.98,;8.89,3.83,;6.35,4.66,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccc(CN(C)C)cc1 |r,wU:13.12,wD:16.16,3.3,(-10.63,-2.59,;-9.3,-1.82,;-7.97,-2.59,;-6.63,-1.82,;-6.63,-.28,;-5.3,-2.59,;-3.96,-1.82,;-3.96,-.28,;-2.63,.49,;-1.3,-.28,;.17,.19,;1.07,-1.05,;.17,-2.3,;.64,-3.76,;2.15,-4.08,;2.63,-5.55,;1.6,-6.69,;2.07,-8.16,;.09,-6.37,;-.39,-4.91,;-1.3,-1.82,;-2.63,-2.59,;.64,1.66,;2.15,1.98,;2.63,3.44,;1.6,4.59,;.09,4.27,;-.39,2.8,;2.07,6.05,;1.04,7.2,;3.58,6.37,;4.61,5.23,;6.11,5.55,;6.59,7.01,;8.1,7.33,;9.13,6.19,;10.63,6.51,;8.65,4.72,;5.56,8.16,;4.05,7.84,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@@H](CC3)C(F)F)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:3.3,16.19,(-8.89,-2.75,;-7.56,-1.98,;-6.22,-2.75,;-4.89,-1.98,;-4.89,-.44,;-3.55,-2.75,;-2.22,-1.98,;-2.22,-.44,;-.89,.33,;.45,-.44,;1.91,.03,;2.82,-1.21,;1.91,-2.46,;2.39,-3.92,;3.89,-4.24,;4.37,-5.71,;3.36,-6.9,;1.83,-6.53,;1.36,-5.07,;3.83,-8.37,;5.34,-8.69,;2.8,-9.51,;.45,-1.98,;-.89,-2.75,;2.39,1.5,;3.89,1.82,;4.37,3.28,;3.34,4.43,;1.83,4.11,;1.36,2.64,;3.82,5.89,;2.78,7.04,;5.32,6.21,;5.8,7.68,;7.3,8,;7.78,9.46,;8.33,6.85,;7.86,5.39,;8.89,4.24,;6.35,5.07,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1ccc(F)cc1 |r,wU:13.12,wD:16.16,3.3,(-9.36,-2.59,;-8.03,-1.82,;-6.7,-2.59,;-5.36,-1.82,;-5.36,-.28,;-4.03,-2.59,;-2.7,-1.82,;-2.7,-.28,;-1.36,.49,;-.03,-.28,;1.44,.19,;2.34,-1.05,;1.44,-2.3,;1.91,-3.76,;3.42,-4.08,;3.89,-5.55,;2.86,-6.69,;3.34,-8.16,;1.36,-6.37,;.88,-4.91,;-.03,-1.82,;-1.36,-2.59,;1.91,1.66,;3.42,1.98,;3.89,3.44,;2.86,4.59,;1.36,4.27,;.88,2.8,;3.34,6.05,;2.31,7.2,;4.85,6.37,;5.88,5.23,;7.38,5.55,;7.86,7.01,;9.36,7.33,;6.83,8.16,;5.32,7.84,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(Cc2cc(C)nc(C)c2)CC1 |r,wU:13.12,wD:16.16,3.3,(-8.89,-3.32,;-7.56,-2.55,;-6.22,-3.32,;-4.89,-2.55,;-4.89,-1.01,;-3.55,-3.32,;-2.22,-2.55,;-2.22,-1.01,;-.89,-.24,;.45,-1.01,;1.91,-.54,;2.82,-1.78,;1.91,-3.03,;2.39,-4.5,;3.89,-4.82,;4.37,-6.28,;3.34,-7.42,;3.82,-8.89,;1.83,-7.1,;1.36,-5.64,;.45,-2.55,;-.89,-3.32,;2.39,.93,;3.89,1.25,;4.37,2.71,;3.34,3.86,;3.82,5.32,;5.32,5.64,;5.8,7.1,;7.3,7.42,;7.78,8.89,;8.33,6.28,;7.86,4.82,;8.89,3.67,;6.35,4.5,;1.83,3.53,;1.36,2.07,)|
C[C@H](Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(Cc2cc(C)nc(C)c2)CC1)c1ccccc1 |r,wU:13.13,1.0,wD:10.9,(5.86,-1.39,;5.86,-2.93,;4.53,-3.7,;3.19,-2.93,;3.19,-1.39,;1.86,-.62,;.53,-1.39,;-.94,-.91,;-1.84,-2.16,;-.94,-3.4,;-1.41,-4.87,;-2.92,-5.19,;-3.4,-6.65,;-2.37,-7.8,;-2.84,-9.26,;-.86,-7.48,;-.38,-6.01,;.53,-2.93,;1.86,-3.7,;-1.41,.55,;-2.92,.87,;-3.4,2.34,;-2.37,3.48,;-2.84,4.95,;-1.81,6.09,;-.31,5.77,;.72,6.92,;2.23,6.6,;.25,8.38,;-1.26,8.7,;-1.73,10.17,;-2.29,7.56,;-.86,3.16,;-.38,1.7,;7.19,-3.7,;8.53,-2.93,;9.86,-3.7,;9.86,-5.24,;8.53,-6.01,;7.19,-5.24,)|
C[C@H](Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC2CCCCC2)CC1)c1ccccc1 |r,wU:13.13,1.0,wD:10.9,(5.71,-.54,;5.71,-2.08,;4.38,-2.85,;3.04,-2.08,;3.04,-.54,;1.71,.23,;.38,-.54,;-1.09,-.07,;-1.99,-1.31,;-1.09,-2.56,;-1.56,-4.02,;-3.07,-4.34,;-3.55,-5.81,;-2.51,-6.95,;-2.99,-8.42,;-1.01,-6.63,;-.53,-5.17,;.38,-2.08,;1.71,-2.85,;-1.56,1.4,;-3.07,1.72,;-3.55,3.18,;-2.51,4.33,;-2.99,5.79,;-1.96,6.94,;-2.44,8.4,;-1.41,9.55,;.1,9.22,;.58,7.76,;-.45,6.62,;-1.01,4.01,;-.53,2.54,;7.05,-2.85,;8.38,-2.08,;9.71,-2.85,;9.71,-4.39,;8.38,-5.16,;7.05,-4.39,)|
CCN1CCC(CC1)c1cn([C@H]2CC[C@H](O)CC2)c2nc(N[C@@H](C)c3ccccc3)ncc12 |r,wU:14.15,22.24,wD:11.11,(-1.69,8.06,;-2.72,6.92,;-2.24,5.45,;-3.27,4.31,;-2.79,2.85,;-1.29,2.53,;-.26,3.67,;-.73,5.13,;-.81,1.06,;-1.72,-.19,;-.81,-1.43,;-1.29,-2.9,;-2.79,-3.22,;-3.27,-4.68,;-2.24,-5.82,;-2.72,-7.29,;-.73,-5.5,;-.26,-4.04,;.65,-.96,;1.99,-1.73,;3.32,-.96,;4.65,-1.73,;5.99,-.96,;5.99,.58,;7.32,-1.73,;8.65,-.96,;9.99,-1.73,;9.99,-3.27,;8.65,-4.04,;7.32,-3.27,;3.32,.58,;1.99,1.35,;.65,.58,)|
CC(C)N1CCC(CC1)c1cn([C@H]2CC[C@H](O)CC2)c2nc(N[C@@H](C)c3ccccc3)ncc12 |r,wU:15.16,23.25,wD:12.12,(-1.43,7.68,;-2.46,6.53,;-3.96,6.85,;-1.98,5.07,;-3.01,3.92,;-2.54,2.46,;-1.03,2.14,;0,3.28,;-.48,4.75,;-.55,.67,;-1.46,-.57,;-.55,-1.82,;-1.03,-3.28,;-2.54,-3.6,;-3.01,-5.07,;-1.98,-6.21,;-2.46,-7.68,;-.48,-5.89,;0,-4.43,;.91,-1.34,;2.24,-2.11,;3.58,-1.34,;4.91,-2.11,;6.25,-1.34,;6.25,.2,;7.58,-2.11,;8.91,-1.34,;10.25,-2.11,;10.25,-3.65,;8.91,-4.42,;7.58,-3.65,;3.58,.2,;2.24,.97,;.91,.2,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](N)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:16.16,3.3,(-8.89,-3.32,;-7.56,-2.55,;-6.22,-3.32,;-4.89,-2.55,;-4.89,-1.01,;-3.55,-3.32,;-2.22,-2.55,;-2.22,-1.01,;-.89,-.24,;.45,-1.01,;1.91,-.54,;2.82,-1.78,;1.91,-3.03,;2.39,-4.5,;3.89,-4.82,;4.37,-6.28,;3.34,-7.42,;3.82,-8.89,;1.83,-7.1,;1.36,-5.64,;.45,-2.55,;-.89,-3.32,;2.39,.93,;3.89,1.25,;4.37,2.71,;3.34,3.86,;1.83,3.53,;1.36,2.07,;3.82,5.32,;2.78,6.46,;5.32,5.64,;5.8,7.1,;7.3,7.42,;7.78,8.89,;8.33,6.28,;7.86,4.82,;8.89,3.67,;6.35,4.5,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(C1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:3.3,16.16,(-7.94,-3.93,;-6.6,-3.16,;-5.27,-3.93,;-3.94,-3.16,;-3.94,-1.62,;-2.6,-3.93,;-1.27,-3.16,;-1.27,-1.62,;.07,-.85,;1.4,-1.62,;2.86,-1.14,;3.77,-2.39,;2.86,-3.64,;3.34,-5.1,;4.85,-5.42,;5.32,-6.89,;4.29,-8.03,;4.77,-9.49,;2.78,-7.71,;2.31,-6.25,;1.4,-3.16,;.07,-3.93,;3.34,.32,;4.8,.8,;4.8,2.34,;3.34,2.81,;2.43,1.57,;2.86,4.28,;1.36,4.6,;3.89,5.42,;3.42,6.89,;4.45,8.03,;3.97,9.49,;5.95,7.71,;6.43,6.25,;7.94,5.93,;5.4,5.1,)|
C[C@H](Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(C1)C(=O)c1cc(C)nc(C)c1)c1ccccc1 |r,wU:10.9,wD:1.0,13.13,(-3.94,-1.62,;-3.94,-3.16,;-2.6,-3.93,;-1.27,-3.16,;-1.27,-1.62,;.07,-.85,;1.4,-1.62,;2.86,-1.14,;3.77,-2.39,;2.86,-3.64,;3.34,-5.1,;4.85,-5.42,;5.32,-6.89,;4.29,-8.03,;4.77,-9.49,;2.78,-7.71,;2.31,-6.25,;1.4,-3.16,;.07,-3.93,;3.34,.32,;4.8,.8,;4.8,2.34,;3.34,2.81,;2.43,1.57,;2.86,4.28,;1.36,4.6,;3.89,5.42,;3.42,6.89,;4.45,8.03,;3.97,9.49,;5.95,7.71,;6.43,6.25,;7.94,5.93,;5.4,5.1,;-5.27,-3.93,;-6.6,-3.16,;-7.94,-3.93,;-7.94,-5.47,;-6.6,-6.24,;-5.27,-5.47,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCNC1 |r,wU:13.12,wD:3.3,16.16,(-6.63,-.59,;-5.3,.18,;-3.96,-.59,;-2.63,.18,;-2.63,1.72,;-1.29,-.59,;.04,.18,;.04,1.72,;1.37,2.49,;2.71,1.72,;4.17,2.2,;5.08,.95,;4.17,-.29,;4.65,-1.76,;6.15,-2.08,;6.63,-3.54,;5.6,-4.69,;6.07,-6.15,;4.09,-4.37,;3.62,-2.9,;2.71,.18,;1.37,-.59,;4.65,3.66,;3.74,4.91,;4.65,6.15,;6.11,5.68,;6.11,4.14,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(C)C1 |r,wU:13.12,wD:3.3,16.16,(-6.99,-.8,;-5.66,-.03,;-4.33,-.8,;-2.99,-.03,;-2.99,1.51,;-1.66,-.8,;-.32,-.03,;-.32,1.51,;1.01,2.28,;2.34,1.51,;3.81,1.98,;4.71,.74,;3.81,-.51,;4.28,-1.97,;5.79,-2.29,;6.27,-3.76,;5.23,-4.9,;5.71,-6.37,;3.73,-4.58,;3.25,-3.12,;2.34,-.03,;1.01,-.8,;4.28,3.45,;3.38,4.69,;4.28,5.94,;5.75,5.46,;6.99,6.37,;5.75,3.92,)|
Cc1cc(cc(C)n1)C(=O)N1CCC(CC1)c1cn([C@H]2CC[C@H](O)CC2)c2nc(NCCCCO)ncc12 |r,wU:19.20,wD:22.24,(8.45,8.89,;7.97,7.42,;6.46,7.1,;5.99,5.64,;7.02,4.5,;8.53,4.82,;9.56,3.67,;9,6.28,;4.48,5.32,;3.45,6.46,;4.01,3.86,;5.04,2.71,;4.56,1.25,;3.05,.93,;2.02,2.07,;2.5,3.53,;2.58,-.54,;3.48,-1.78,;2.58,-3.03,;3.05,-4.5,;4.56,-4.82,;5.04,-6.28,;4.01,-7.42,;4.48,-8.89,;2.5,-7.1,;2.02,-5.64,;1.11,-2.55,;-.22,-3.32,;-1.55,-2.55,;-2.89,-3.32,;-4.22,-2.55,;-5.55,-3.32,;-6.89,-2.55,;-8.22,-3.32,;-9.56,-2.55,;-1.55,-1.01,;-.22,-.24,;1.11,-1.01,)|
Cc1cc(cc(C)n1)C(=O)N1CCC(CC1)c1cn([C@H]2CC[C@H](O)CC2)c2nc(NCCCC(F)(F)F)ncc12 |r,wU:19.20,wD:22.24,(8.45,8.89,;7.97,7.42,;6.46,7.1,;5.99,5.64,;7.02,4.5,;8.53,4.82,;9.56,3.67,;9,6.28,;4.48,5.32,;3.45,6.46,;4.01,3.86,;5.04,2.71,;4.56,1.25,;3.05,.93,;2.02,2.07,;2.5,3.53,;2.58,-.54,;3.48,-1.78,;2.58,-3.03,;3.05,-4.5,;4.56,-4.82,;5.04,-6.28,;4.01,-7.42,;4.48,-8.89,;2.5,-7.1,;2.02,-5.64,;1.11,-2.55,;-.22,-3.32,;-1.55,-2.55,;-2.89,-3.32,;-4.22,-2.55,;-5.55,-3.32,;-6.89,-2.55,;-8.22,-3.32,;-9.56,-2.55,;-8.22,-4.86,;-9.56,-4.09,;-1.55,-1.01,;-.22,-.24,;1.11,-1.01,)|
CCC[C@H](C)Nc1ncc2c(cn(CC3CC[C@H](N)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wD:3.3,17.17,(-8.89,-3.23,;-7.56,-2.46,;-6.22,-3.23,;-4.89,-2.46,;-4.89,-.92,;-3.55,-3.23,;-2.22,-2.46,;-2.22,-.92,;-.89,-.15,;.45,-.92,;1.91,-.45,;2.82,-1.69,;1.91,-2.94,;2.39,-4.4,;1.36,-5.55,;1.83,-7.01,;.8,-8.16,;-.7,-7.84,;-1.73,-8.98,;-1.18,-6.37,;-.15,-5.23,;.45,-2.46,;-.89,-3.23,;2.39,1.02,;3.89,1.34,;4.37,2.8,;3.34,3.95,;1.83,3.63,;1.36,2.16,;3.82,5.41,;2.78,6.56,;5.32,5.73,;5.8,7.2,;7.3,7.52,;7.78,8.98,;8.33,6.37,;7.86,4.91,;8.89,3.76,;6.35,4.59,)|
CCC[C@H](C)Nc1ncc2c(cn(CC3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wD:3.3,17.17,(-8.89,-3.23,;-7.56,-2.46,;-6.22,-3.23,;-4.89,-2.46,;-4.89,-.92,;-3.55,-3.23,;-2.22,-2.46,;-2.22,-.92,;-.89,-.15,;.45,-.92,;1.91,-.45,;2.82,-1.69,;1.91,-2.94,;2.39,-4.4,;1.36,-5.55,;1.83,-7.01,;.8,-8.16,;-.7,-7.84,;-1.73,-8.98,;-1.18,-6.37,;-.15,-5.23,;.45,-2.46,;-.89,-3.23,;2.39,1.02,;3.89,1.34,;4.37,2.8,;3.34,3.95,;1.83,3.63,;1.36,2.16,;3.82,5.41,;2.78,6.56,;5.32,5.73,;5.8,7.2,;7.3,7.52,;7.78,8.98,;8.33,6.37,;7.86,4.91,;8.89,3.76,;6.35,4.59,)|
Cc1ccc(Nc2ncc(Br)c(NC3CCCCC3)n2)cc1
Cc1ccc(Nc2ncc(c(NC3CCCCC3)n2)-c2ccc(C)cc2)cc1
Cn1cc(cn1)-c1cnc(Cl)nc1NC1CCCCC1
Cn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1NC1CCCCC1
Cn1cc(cn1)-c1cnc(Nc2ccccc2)nc1NC1CCCCC1
Cn1cc(cn1)-c1cnc(NCc2cccc(c2)C(F)(F)F)nc1NC1CCCCC1
COc1ccc(Nc2ncc(-c3cnn(C)c3)c(NC3CCCCC3)n2)cc1Cl
Cc1ccccc1Nc1ncc(-c2cnn(C)c2)c(NC2CCCCC2)n1
Cc1cc(Nc2ncc(-c3cnn(C)c3)c(NC3CCCCC3)n2)no1
Cn1cc(cn1)-c1cnc(Nc2cc(on2)C(C)(C)C)nc1NC1CCCCC1
CC(C)c1ccccc1Nc1ncc(-c2cnn(C)c2)c(NC2CCCCC2)n1
Cc1ccc(Nc2ncc(-c3ccoc3)c(NC3CCCCC3)n2)cc1
Clc1cc(Cl)cc(Nc2ncc(-c3ccoc3)c(NC3CCCCC3)n2)c1
COc1ccc(cc1)C(F)(F)CNc1ncc(-c2cnn(C)c2)c(NC2CCCCC2)n1
Cn1cc(cn1)-c1cnc(NCCc2ccncc2)nc1NC1CCCCC1
Cn1cc(cn1)-c1cnc(nc1NC1CCCCC1)N1CCN(CC1)C(=O)c1cccs1
Cc1c(Nc2ncc(-c3cnn(C)c3)c(NC3CCCCC3)n2)c(=O)n(-c2ccccc2)n1C
Cc1cc(Nc2ncc(-c3cnn(C)c3)c(NC3CCCCC3)n2)on1
CCc1nnc(Nc2ncc(-c3cnn(C)c3)c(NC3CCCCC3)n2)s1
Cn1cc(cn1)-c1cnc(Nc2nccs2)nc1NC1CCCCC1
Cn1cc(cn1)-c1cnc(NC23CC4CC(CC(C4)C2)C3)nc1NC1CCCCC1 |TLB:20:11:18:14.15.16,THB:10:11:18:14.15.16,20:15:18:11.19.12,19:11:14:18.17.16,19:17:14:11.20.12|
COc1ccccc1Nc1ncc(-c2cnn(C)c2)c(NC2CCCCC2)n1
Cc1cc(Nc2ncc(-c3cnn(C)c3)c(NC3CCN(CC3)C(=O)C(F)(F)F)n2)ccc1Cl
COc1ccc(Nc2ncc(-c3cnn(C)c3)c(NC3CCN(CC3)C(=O)C(F)(F)F)n2)cc1
COc1ccc(Nc2ncc(-c3cnn(C)c3)c(NC3CCNCC3)n2)cc1
Cc1ccc(Nc2ncc(-c3ccoc3)c(NC3CCN(CC3)C(=O)C(F)(F)F)n2)cc1
Cc1cccc(Nc2ncc(-c3ccoc3)c(NC3CCN(CC3)C(=O)C(F)(F)F)n2)c1
Cc1ccc(Nc2ncc(-c3ccoc3)c(NC3CCNCC3)n2)cc1
COc1ccc(cc1OC)-c1cnc(Nc2ccc(Cl)c(C)c2)nc1NC1CCN(CC1)C(=O)C(F)(F)F
COc1ccc(Nc2ncc(c(NC3CCN(CC3)C(=O)C(F)(F)F)n2)-c2ccc(OC)c(OC)c2)cc1
COc1ccccc1Nc1ncc(c(NC2CCN(CC2)C(=O)C(F)(F)F)n1)-c1ccc(OC)c(OC)c1
COc1ccc(Nc2ncc(c(NC3CCNCC3)n2)-c2ccc(OC)c(OC)c2)cc1
COc1ccccc1Nc1ncc(c(NC2CCNCC2)n1)-c1ccc(OC)c(OC)c1
COc1ccc(cc1OC)-c1cnc(Nc2cccc(Cl)c2)nc1NC1CCN(CC1)C(=O)C(F)(F)F
Cn1cc(cn1)-c1cnc(Nc2ccc3CCN(Cc3c2)C(=O)C(F)(F)F)nc1NC1CCN(CC1)C(=O)C(F)(F)F
Cn1cc(cn1)-c1cnc(Nc2ccc3CCNCc3c2)nc1NC1CCNCC1
Cn1cc(cn1)-c1cnc(Nc2ccc3CCN(Cc3c2)C(=O)C(F)(F)F)nc1N[C@@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wD:30.33,33.40,(-7.45,4.01,;-5.92,4.17,;-4.89,3.02,;-3.48,3.65,;-3.64,5.18,;-5.15,5.5,;-2.15,2.88,;-.82,3.65,;.52,2.88,;.52,1.34,;1.85,.57,;3.19,1.34,;3.19,2.88,;4.52,3.65,;5.85,2.88,;7.19,3.65,;8.52,2.88,;8.52,1.34,;7.19,.57,;5.85,1.34,;4.52,.57,;9.85,.57,;9.85,-.97,;11.19,1.34,;12.52,2.11,;10.42,2.67,;11.96,.01,;-.82,.57,;-2.15,1.34,;-3.48,.57,;-3.48,-.97,;-2.15,-1.74,;-2.15,-3.28,;-3.48,-4.05,;-4.82,-3.28,;-4.82,-1.74,;-3.48,-5.59,;-4.82,-6.36,;-6.15,-5.59,;-4.82,-7.9,;-4.82,-9.44,;-6.36,-7.9,;-3.28,-7.9,)|
Cn1cc(cn1)-c1cnc(Nc2ccc3CCNCc3c2)nc1N[C@@H]1CC[C@H](N)CC1 |r,wU:24.27,27.31,(-7.96,-.65,;-6.48,-.25,;-5.45,-1.4,;-4.04,-.77,;-4.2,.76,;-5.71,1.08,;-2.71,-1.54,;-2.71,-3.08,;-1.37,-3.85,;-.04,-3.08,;1.3,-3.85,;2.63,-3.08,;2.63,-1.54,;3.96,-.77,;5.3,-1.54,;6.63,-.77,;7.96,-1.54,;7.96,-3.08,;6.63,-3.85,;5.3,-3.08,;3.96,-3.85,;-.04,-1.54,;-1.37,-.77,;-1.37,.77,;-.04,1.54,;1.3,.77,;2.63,1.54,;2.63,3.08,;3.96,3.85,;1.3,3.85,;-.04,3.08,)|
CCOc1cn(nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1)-c1ccc(F)cc1C
OCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1NC1CCN(CC1)C(=O)C(F)(F)F
Clc1cc(Cl)cc(Nc2ncc(-c3cnn(c3)C3CCNCC3)c(NC3CCNCC3)n2)c1
OCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1NC1CCNCC1
OCCn1cc(cn1)-c1cnc(Nc2ccc3CCN(Cc3c2)C(=O)C(F)(F)F)nc1NC1CCN(CC1)C(=O)C(F)(F)F
Cc1cc(Nc2ncc(-c3cnn(CCO)c3)c(NC3CCNCC3)n2)ccc1Cl
OCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wD:24.26,27.33,(1.98,-9.49,;1.08,-8.24,;1.7,-6.83,;.8,-5.59,;1.27,-4.12,;.03,-3.22,;-1.22,-4.12,;-.74,-5.59,;.03,-1.68,;-1.31,-.91,;-1.31,.63,;.03,1.4,;.03,2.94,;-1.31,3.71,;-2.64,2.94,;-3.97,3.71,;-5.31,2.94,;-3.97,5.25,;-2.64,6.02,;-2.64,7.56,;-1.31,5.25,;1.36,.63,;1.36,-.91,;2.69,-1.68,;4.03,-.91,;4.03,.63,;5.36,1.4,;6.69,.63,;6.69,-.91,;5.36,-1.68,;8.03,1.4,;9.36,.63,;9.36,-.91,;10.7,1.4,;12.03,2.17,;11.47,.07,;9.93,2.74,)|
OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1N[C@@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wD:23.25,26.32,(1.73,-9.37,;.83,-8.12,;1.45,-6.72,;.55,-5.47,;1.02,-4.01,;-.22,-3.1,;-1.47,-4.01,;-.99,-5.47,;-.22,-1.56,;-1.56,-.79,;-1.56,.75,;-.22,1.52,;-.22,3.06,;-1.56,3.83,;-1.56,5.37,;-2.89,6.14,;-4.22,5.37,;-4.22,3.83,;-5.56,3.06,;-2.89,3.06,;1.11,.75,;1.11,-.79,;2.45,-1.56,;3.78,-.79,;3.78,.75,;5.11,1.52,;6.45,.75,;6.45,-.79,;5.11,-1.56,;7.78,1.52,;9.11,.75,;9.11,-.79,;10.45,1.52,;11.78,2.29,;11.22,.19,;9.68,2.85,)|
N[C@H]1CC[C@H](CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cnn(CCO)c1 |r,wU:4.7,1.0,(5.92,3.85,;4.58,3.08,;4.58,1.54,;3.25,.77,;1.92,1.54,;1.92,3.08,;3.25,3.85,;.58,.77,;.58,-.77,;1.92,-1.54,;1.92,-3.08,;3.25,-3.85,;4.58,-3.08,;5.92,-3.85,;7.25,-3.08,;8.59,-3.85,;7.25,-1.54,;5.92,-.77,;5.92,.77,;4.58,-1.54,;.58,-3.85,;-.75,-3.08,;-.75,-1.54,;-2.08,-.77,;-2.25,.76,;-3.75,1.08,;-4.52,-.25,;-6.01,-.65,;-7.1,.44,;-8.59,.04,;-3.49,-1.4,)|
N[C@H]1CC[C@H](CC1)Nc1nc(Nc2cccc(Cl)c2)ncc1-c1cnn(CCO)c1 |r,wU:4.7,1.0,(5.88,3.85,;4.55,3.08,;4.55,1.54,;3.22,.77,;1.88,1.54,;1.88,3.08,;3.22,3.85,;.55,.77,;.55,-.77,;1.88,-1.54,;1.88,-3.08,;3.22,-3.85,;4.55,-3.08,;4.55,-1.54,;5.88,-.77,;7.22,-1.54,;7.22,-3.08,;8.55,-3.85,;5.88,-3.85,;.55,-3.85,;-.78,-3.08,;-.78,-1.54,;-2.12,-.77,;-2.12,.77,;-3.58,1.25,;-4.49,,;-5.98,-.4,;-7.06,.69,;-8.55,.29,;-3.58,-1.25,)|
Cc1cc(Nc2ncc(-c3cnn(CCO)c3)c(N[C@@H]3CC[C@H](N)CC3)n2)ccc1Cl |r,wU:19.19,22.23,(8.55,-3.85,;7.22,-3.08,;5.88,-3.85,;4.55,-3.08,;3.22,-3.85,;1.88,-3.08,;.55,-3.85,;-.78,-3.08,;-.78,-1.54,;-2.12,-.77,;-2.12,.77,;-3.58,1.25,;-4.49,,;-5.98,-.4,;-7.06,.69,;-8.55,.29,;-3.58,-1.25,;.55,-.77,;.55,.77,;1.88,1.54,;3.22,.77,;4.55,1.54,;4.55,3.08,;5.88,3.85,;3.22,3.85,;1.88,3.08,;1.88,-1.54,;4.55,-1.54,;5.88,-.77,;7.22,-1.54,;8.55,-.77,)|
FC(F)(F)C(=O)N[C@H]1CC[C@H](CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cnn(c1)C1CCN(CC1)C(=O)C(F)(F)F |r,wD:10.13,7.6,(11.46,3.76,;10.13,2.99,;9.36,4.32,;10.9,1.65,;8.79,2.22,;8.79,.68,;7.46,2.99,;6.12,2.22,;4.79,2.99,;3.46,2.22,;3.46,.68,;4.79,-.09,;6.12,.68,;2.12,-.09,;.79,.68,;.79,2.22,;-.54,2.99,;-.54,4.53,;.79,5.3,;.79,6.84,;2.12,7.61,;2.12,9.15,;3.46,6.84,;3.46,5.3,;4.79,4.53,;2.12,4.53,;-1.88,2.22,;-1.88,.68,;-.54,-.09,;-.54,-1.63,;.7,-2.54,;.23,-4,;-1.31,-4,;-1.79,-2.54,;-2.22,-5.25,;-1.59,-6.66,;-2.5,-7.9,;-4.03,-7.74,;-4.66,-6.33,;-3.75,-5.09,;-4.94,-8.99,;-6.47,-8.83,;-4.31,-10.39,;-3.68,-11.8,;-5.72,-11.02,;-2.9,-9.77,)|
OCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wU:24.26,wD:27.33,(3.74,-9.89,;4.65,-8.64,;4.02,-7.23,;4.92,-5.99,;4.45,-4.52,;5.69,-3.62,;6.94,-4.52,;6.46,-5.99,;5.69,-2.08,;7.03,-1.31,;7.03,.23,;5.69,1,;5.69,2.54,;4.36,3.31,;3.03,2.54,;1.69,3.31,;.36,2.54,;1.69,4.85,;3.03,5.62,;3.03,7.16,;4.36,4.85,;4.36,.23,;4.36,-1.31,;3.03,-2.08,;1.69,-1.31,;.36,-2.08,;-.97,-1.31,;-.97,.23,;.36,1,;1.69,.23,;-2.31,1,;-2.31,2.54,;-.97,3.31,;-3.64,3.31,;-4.97,4.08,;-2.87,4.65,;-4.41,1.98,)|
N[C@H]1CC[C@H](CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cnn(c1)C1CCNCC1 |r,wU:4.7,1.0,(6.08,3.85,;4.75,3.08,;4.75,1.54,;3.42,.77,;2.08,1.54,;2.08,3.08,;3.42,3.85,;.75,.77,;.75,-.77,;2.08,-1.54,;2.08,-3.08,;3.42,-3.85,;4.75,-3.08,;6.08,-3.85,;7.42,-3.08,;8.75,-3.85,;7.42,-1.54,;6.08,-.77,;6.08,.77,;4.75,-1.54,;.75,-3.85,;-.58,-3.08,;-.58,-1.54,;-1.92,-.77,;-1.92,.77,;-3.38,1.25,;-4.29,,;-3.38,-1.25,;-5.78,-.4,;-6.86,.69,;-8.35,.29,;-8.75,-1.2,;-7.66,-2.28,;-6.17,-1.89,)|
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cnn(CCO)c1 |r,wU:1.0,wD:4.7,(5.88,3.85,;4.55,3.08,;4.55,1.54,;3.22,.77,;1.88,1.54,;1.88,3.08,;3.22,3.85,;.55,.77,;.55,-.77,;1.88,-1.54,;1.88,-3.08,;3.22,-3.85,;4.55,-3.08,;5.88,-3.85,;7.22,-3.08,;8.55,-3.85,;7.22,-1.54,;5.88,-.77,;5.88,.77,;4.55,-1.54,;.55,-3.85,;-.78,-3.08,;-.78,-1.54,;-2.12,-.77,;-2.12,.77,;-3.58,1.25,;-4.49,,;-5.98,-.4,;-7.06,.69,;-8.55,.29,;-3.58,-1.25,)|
OCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1NC1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wD:27.33,(3.3,-10.38,;4.21,-9.13,;3.58,-7.72,;4.49,-6.48,;4.01,-5.01,;5.26,-4.11,;6.5,-5.01,;6.03,-6.48,;5.26,-2.57,;6.59,-1.8,;6.59,-.26,;5.26,.51,;5.26,2.05,;3.92,2.82,;2.59,2.05,;1.26,2.82,;-.08,2.05,;1.26,4.36,;2.59,5.13,;2.59,6.67,;3.92,4.36,;3.92,-.26,;3.92,-1.8,;2.59,-2.57,;1.26,-1.8,;-.08,-2.57,;-1.41,-1.8,;-1.41,-.26,;-.08,.51,;1.26,-.26,;-2.74,.51,;-2.74,2.05,;-1.41,2.82,;-4.08,2.82,;-5.41,3.59,;-3.31,4.16,;-4.85,1.49,)|
N[C@H]1CCC(CC1)Nc1nc(Nc2cc(F)cc(F)c2)ncc1-c1cnn(CCO)c1 |r,wU:1.0,(5.88,3.85,;4.55,3.08,;4.55,1.54,;3.22,.77,;1.88,1.54,;1.88,3.08,;3.22,3.85,;.55,.77,;.55,-.77,;1.88,-1.54,;1.88,-3.08,;3.22,-3.85,;4.55,-3.08,;5.88,-3.85,;7.22,-3.08,;8.55,-3.85,;7.22,-1.54,;5.88,-.77,;5.88,.77,;4.55,-1.54,;.55,-3.85,;-.78,-3.08,;-.78,-1.54,;-2.12,-.77,;-2.12,.77,;-3.58,1.25,;-4.49,,;-5.98,-.4,;-7.06,.69,;-8.55,.29,;-3.58,-1.25,)|
N[C@H]1CCC(CC1)Nc1nc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ncc1-c1cnn(CCO)c1 |r,wU:1.0,(-6.54,.71,;-5.21,-.06,;-3.87,.71,;-2.54,-.06,;-2.54,-1.6,;-3.87,-2.37,;-5.21,-1.6,;-1.2,-2.37,;.13,-1.6,;.13,-.06,;1.46,.71,;1.46,2.25,;2.8,3.02,;4.13,2.25,;5.46,3.02,;5.46,4.56,;4.13,5.33,;2.8,4.56,;4.13,6.87,;4.13,8.41,;5.67,6.87,;2.59,6.87,;6.8,2.25,;8.13,1.48,;6.03,.92,;7.57,3.58,;2.8,-.06,;2.8,-1.6,;1.46,-2.37,;1.46,-3.91,;.22,-4.81,;.69,-6.28,;2.23,-6.28,;3.14,-7.53,;2.51,-8.93,;3.42,-10.18,;2.71,-4.81,)|
FC(F)(F)C(=O)NC1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cnn(c1)C1CCNCC1 |(10.47,2.17,;9.14,1.4,;9.91,.06,;8.37,2.73,;7.8,.63,;7.8,-.91,;6.47,1.4,;5.14,.63,;5.14,-.91,;3.8,-1.68,;2.47,-.91,;2.47,.63,;3.8,1.4,;1.14,-1.68,;-.2,-.91,;-.2,.63,;-1.53,1.4,;-1.53,2.94,;-.2,3.71,;1.14,2.94,;2.47,3.71,;3.8,2.94,;2.47,5.25,;1.14,6.02,;1.14,7.56,;-.2,5.25,;-2.87,.63,;-2.87,-.91,;-1.53,-1.68,;-1.53,-3.22,;-.29,-4.13,;-.76,-5.59,;-2.3,-5.59,;-2.78,-4.13,;-3.21,-6.84,;-2.58,-8.25,;-3.49,-9.49,;-5.02,-9.33,;-5.64,-7.92,;-4.74,-6.68,)|
OCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc(cc1)C1CCNCC1
OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc(cc1)C1CCNCC1
OCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc(cc1)C1CCNCC1
Cn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F
Cn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
Cc1cc(Nc2ncc(-c3cnn(C)c3)c(Nc3ccc4CCNCc4c3)n2)ccc1Cl
OCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F
OCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F
OCCn1cc(cn1)-c1cnc(Nc2cccc(F)c2)nc1Nc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F
OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2CCNCc2c1
OCCn1cc(cn1)-c1cnc(Nc2cccc(F)c2)nc1Nc1ccc2CCNCc2c1
OCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F
OCCn1cc(cn1)-c1cnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nc1Nc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F
OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2Cl)nc1Nc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F
Cc1c(Cl)cccc1Nc1ncc(-c2cnn(CCO)c2)c(Nc2ccc3CCN(Cc3c2)C(=O)C(F)(F)F)n1
OCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCNCc2c1
OCCn1cc(cn1)-c1cnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nc1Nc1ccc2CCNCc2c1
OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2Cl)nc1Nc1ccc2CCNCc2c1
Cc1c(Cl)cccc1Nc1ncc(-c2cnn(CCO)c2)c(Nc2ccc3CCNCc3c2)n1
Fc1cc(F)cc(Nc2ncc(-c3cnn(c3)C3CCNCC3)c(Nc3ccc4CCNCc4c3)n2)c1
Clc1cc(Cl)cc(Nc2ncc(-c3cnn(c3)C3CCNCC3)c(Nc3ccc4CCNCc4c3)n2)c1
FC(F)(F)c1cc(Nc2ncc(-c3cnn(c3)C3CCNCC3)c(Nc3ccc4CCNCc4c3)n2)cc(c1)C(F)(F)F
Clc1cccc(Nc2ncc(-c3cnn(c3)C3CCNCC3)c(Nc3ccc4CCNCc4c3)n2)c1Cl
COc1cc(Nc2ncc(-c3cnn(C)c3)c(Nc3ccc4CCNCc4c3)n2)cc(OC)c1
Cn1cc(cn1)-c1cnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nc1Nc1ccc2CCNCc2c1
Cn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCNCc2c1
COc1cc(Nc2ncc(-c3cnn(C)c3)c(Nc3ccc4CCN(Cc4c3)C(=O)C(F)(F)F)n2)cc(OC)c1
Cn1cc(cn1)-c1cnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nc1Nc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F
Cn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F
Fc1cc(F)cc(Nc2ncc(-c3cnn(c3)C3CCNCC3)c(Nc3ccc4CCN(Cc4c3)C(=O)C(F)(F)F)n2)c1
FC(F)(F)C(=O)N1CCc2ccc(Nc3nc(Nc4cc(Cl)cc(Cl)c4)ncc3-c3cnn(c3)C3CCNCC3)cc2C1
FC(F)(F)C(=O)N1CCc2ccc(Nc3nc(Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)ncc3-c3cnn(c3)C3CCNCC3)cc2C1
FC(F)(F)C(=O)N1CCc2ccc(Nc3nc(Nc4cccc(Cl)c4Cl)ncc3-c3cnn(c3)C3CCNCC3)cc2C1
Cn1cc(cn1)-c1cnc(Nc2cc(F)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
COc1cc(Nc2ncc(-c3cnn(C)c3)c(Nc3ccc4CCNCc4c3)n2)cc(c1)C(F)(F)F
OCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
COc1cc(Nc2ncc(-c3cnn(CCO)c3)c(Nc3ccc4CCNCc4c3)n2)cc(c1)C(F)(F)F
Cn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2CCNCc2c1
Cn1cc(cn1)-c1cnc(Nc2cccc(F)c2)nc1Nc1ccc2CCNCc2c1
Cn1cc(cn1)-c1cnc(Nc2cccc(c2)C(F)(F)F)nc1Nc1ccc2CCNCc2c1
COc1cccc(Nc2ncc(-c3cnn(C)c3)c(Nc3ccc4CCNCc4c3)n2)c1
Cn1cc(cn1)-c1cnc(Nc2ccccc2)nc1Nc1ccc2CCNCc2c1
Cn1cc(cn1)-c1cnc(NCc2cccc(c2)C(F)(F)F)nc1Nc1ccc2CCNCc2c1
Cc1ccccc1Nc1ncc(-c2cnn(C)c2)c(Nc2ccc3CCNCc3c2)n1
Cn1cc(cn1)-c1cnc(Nc2c(F)cccc2F)nc1Nc1ccc2CCNCc2c1
Cc1cccc(Nc2ncc(-c3cnn(C)c3)c(Nc3ccc4CCNCc4c3)n2)c1
Cc1ccc(F)cc1Nc1ncc(-c2cnn(C)c2)c(Nc2ccc3CCNCc3c2)n1
CC(C)n1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
CC(C)n1cc(cn1)-c1cnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nc1Nc1ccc2CCNCc2c1
CC(C)n1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCNCc2c1
CC(C)n1cc(cn1)-c1cnc(Nc2cc(F)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
COc1cc(Nc2ncc(-c3cnn(c3)C(C)C)c(Nc3ccc4CCNCc4c3)n2)cc(c1)C(F)(F)F
COc1cc(CO)cc(Nc2ncc(-c3cnn(c3)C(C)C)c(Nc3ccc4CCNCc4c3)n2)c1
CC(C)n1cc(cn1)-c1cnc(Nc2cc(C)cc(C)c2)nc1Nc1ccc2CCNCc2c1
CC(C)n1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2CCNCc2c1
COc1cccc(Nc2ncc(-c3cnn(c3)C(C)C)c(Nc3ccc4CCNCc4c3)n2)c1
CC(C)n1cc(cn1)-c1cnc(Nc2cccc(C)c2)nc1Nc1ccc2CCNCc2c1
CC(C)n1cc(cn1)-c1cnc(Nc2ccccc2)nc1Nc1ccc2CCNCc2c1
CCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
CCCn1cc(cn1)-c1cnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nc1Nc1ccc2CCNCc2c1
CCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCNCc2c1
CCCn1cc(cn1)-c1cnc(Nc2cc(CO)cc(c2)C(F)(F)F)nc1Nc1ccc2CCNCc2c1
CCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
CCCn1cc(cn1)-c1cnc(Nc2cc(CO)cc(OC)c2)nc1Nc1ccc2CCNCc2c1
CCCn1cc(cn1)-c1cnc(Nc2cc(C)cc(C)c2)nc1Nc1ccc2CCNCc2c1
CCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2CCNCc2c1
CC(C)Cn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
CC(C)Cn1cc(cn1)-c1cnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nc1Nc1ccc2CCNCc2c1
CC(C)Cn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCNCc2c1
CC(C)Cn1cc(cn1)-c1cnc(Nc2cc(F)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
COc1cc(Nc2ncc(-c3cnn(CC(C)C)c3)c(Nc3ccc4CCNCc4c3)n2)cc(c1)C(F)(F)F
COc1cc(CO)cc(Nc2ncc(-c3cnn(CC(C)C)c3)c(Nc3ccc4CCNCc4c3)n2)c1
CC(C)Cn1cc(cn1)-c1cnc(Nc2cc(C)cc(C)c2)nc1Nc1ccc2CCNCc2c1
CC(C)Cn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2CCNCc2c1
COc1cccc(Nc2ncc(-c3cnn(CC(C)C)c3)c(Nc3ccc4CCNCc4c3)n2)c1
CC(C)Cn1cc(cn1)-c1cnc(Nc2cccc(C)c2)nc1Nc1ccc2CCNCc2c1
CC(C)Cn1cc(cn1)-c1cnc(Nc2ccccc2)nc1Nc1ccc2CCNCc2c1
CC(C)Cn1cc(cn1)-c1cnc(Nc2cc(F)ccc2F)nc1Nc1ccc2CCNCc2c1
COc1cc(CO)cc(Nc2ncc(-c3cnn(CCO)c3)c(Nc3ccc4CCNCc4c3)n2)c1
Cc1cc(C)cc(Nc2ncc(-c3cnn(CCO)c3)c(Nc3ccc4CCNCc4c3)n2)c1
OCCNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
COCCNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
CC(C)(CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
CC(C)(O)CNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
C[C@@H](O)CNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](O)CNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CC(C)(CO)CNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
OC[C@@H](O)CNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
Fc1ccc(cc1)-n1nccc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(NC5CCC5)c34)c(F)c2)c1=O
Fc1ccc(cc1)-n1nccc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(NC5CC(F)(F)C5)c34)c(F)c2)c1=O
OC[C@H](O)CNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CO[C@H]1CC(C1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r,wD:2.1,(-12.73,-.81,;-11.7,.34,;-10.19,.02,;-9.35,-1.27,;-8.06,-.43,;-8.9,.86,;-6.55,-.75,;-6.08,-2.22,;-6.98,-3.47,;-6.08,-4.71,;-4.61,-4.24,;-3.28,-5.01,;-1.94,-4.24,;-1.94,-2.7,;-3.28,-1.93,;-3.28,-.39,;-1.94,.38,;-.61,-.39,;.72,.38,;.72,1.92,;2.06,2.69,;3.39,1.92,;3.39,.38,;4.72,2.69,;4.72,4.23,;6.06,5.01,;7.39,4.23,;7.39,2.69,;8.72,1.92,;8.72,.38,;10.06,-.39,;11.39,.38,;12.73,-.39,;11.39,1.92,;10.06,2.7,;6.06,1.92,;6.06,.38,;-.61,2.69,;-1.94,1.92,;-3.28,2.69,;-4.61,-2.7,)|
CO[C@H]1CC(C1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r,wU:2.1,(-12.73,-.81,;-11.7,.34,;-10.19,.02,;-8.9,.86,;-8.06,-.43,;-9.35,-1.27,;-6.55,-.75,;-6.08,-2.22,;-6.98,-3.47,;-6.08,-4.71,;-4.61,-4.24,;-3.28,-5.01,;-1.94,-4.24,;-1.94,-2.7,;-3.28,-1.93,;-3.28,-.39,;-1.94,.38,;-.61,-.39,;.72,.38,;.72,1.92,;2.06,2.69,;3.39,1.92,;3.39,.38,;4.72,2.69,;4.72,4.23,;6.06,5.01,;7.39,4.23,;7.39,2.69,;8.72,1.92,;8.72,.38,;10.06,-.39,;11.39,.38,;12.73,-.39,;11.39,1.92,;10.06,2.7,;6.06,1.92,;6.06,.38,;-.61,2.69,;-1.94,1.92,;-3.28,2.69,;-4.61,-2.7,)|
CO[C@H]1CC(C)(C1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r,wD:2.1,(-12.73,-.81,;-11.7,.34,;-10.19,.02,;-9.35,-1.27,;-8.06,-.43,;-7.29,.9,;-8.9,.86,;-6.55,-.75,;-6.08,-2.22,;-6.98,-3.47,;-6.08,-4.71,;-4.61,-4.24,;-3.28,-5.01,;-1.94,-4.24,;-1.94,-2.7,;-3.28,-1.93,;-3.28,-.39,;-1.94,.38,;-.61,-.39,;.72,.38,;.72,1.92,;2.06,2.69,;3.39,1.92,;3.39,.38,;4.72,2.69,;4.72,4.23,;6.06,5.01,;7.39,4.23,;7.39,2.69,;8.72,1.92,;8.72,.38,;10.06,-.39,;11.39,.38,;12.73,-.39,;11.39,1.92,;10.06,2.7,;6.06,1.92,;6.06,.38,;-.61,2.69,;-1.94,1.92,;-3.28,2.69,;-4.61,-2.7,)|
COCC1(CC1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
COCC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
COCCN(C)c1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
COCC1(CCCC1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
COCC1(CCC1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
COCCC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
Fc1ccc(cc1)-n1nccc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(NCC5CCCO5)c34)c(F)c2)c1=O
Fc1ccc(cc1)-n1nccc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(NCC5CCS(=O)(=O)C5)c34)c(F)c2)c1=O
COC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COCC(COC)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
CC(CC(F)F)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
COC[C@@H]1CCCC1Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
Fc1ccc(cc1)-n1nccc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(NCC5CCOC5)c34)c(F)c2)c1=O
Fc1ccc(cc1)-n1nccc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(NCC5CCNC(=O)C5)c34)c(F)c2)c1=O
CN(C)C(=O)[C@H]1CC(C1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r,wU:5.4,(-11.54,-1.95,;-11.94,-.46,;-13.43,-.06,;-10.85,.63,;-11.25,2.12,;-9.36,.23,;-8.03,1,;-7.26,-.33,;-8.59,-1.1,;-5.77,-.73,;-5.37,-2.22,;-6.28,-3.47,;-5.37,-4.71,;-3.91,-4.23,;-2.58,-5,;-1.24,-4.23,;-1.24,-2.69,;-2.58,-1.93,;-2.58,-.38,;-1.24,.38,;.09,-.38,;1.43,.38,;1.43,1.93,;2.76,2.69,;4.09,1.93,;4.09,.38,;5.43,2.69,;5.43,4.23,;6.76,5,;8.09,4.23,;8.09,2.69,;9.43,1.93,;9.43,.38,;10.76,-.38,;12.09,.38,;13.43,-.38,;12.09,1.93,;10.76,2.69,;6.76,1.93,;6.76,.38,;.09,2.69,;-1.24,1.93,;-2.58,2.69,;-3.91,-2.69,)|
CC(CO)(CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
CC(C)(CCO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
CC(Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12)C(C)(C)O
CN(CCO)c1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
OC[C@H]1CC(C1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r,wD:2.1,(-12.34,2.12,;-11.94,.63,;-10.45,.23,;-9.68,-1.1,;-8.35,-.33,;-9.12,1,;-6.86,-.73,;-6.46,-2.22,;-7.37,-3.47,;-6.46,-4.71,;-5,-4.23,;-3.67,-5,;-2.33,-4.23,;-2.33,-2.69,;-3.67,-1.93,;-3.67,-.38,;-2.33,.38,;-1,-.38,;.34,.38,;.34,1.93,;1.67,2.69,;3,1.93,;3,.38,;4.34,2.69,;4.34,4.23,;5.67,5,;7,4.23,;7,2.69,;8.34,1.93,;8.34,.38,;9.67,-.38,;11.01,.38,;12.34,-.38,;11.01,1.93,;9.67,2.69,;5.67,1.93,;5.67,.38,;-1,2.69,;-2.33,1.93,;-3.67,2.69,;-5,-2.69,)|
OC[C@H]1CC(C1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r,wU:2.1,(-12.34,2.12,;-11.94,.63,;-10.45,.23,;-9.12,1,;-8.35,-.33,;-9.68,-1.1,;-6.86,-.73,;-6.46,-2.22,;-7.37,-3.47,;-6.46,-4.71,;-5,-4.23,;-3.67,-5,;-2.33,-4.23,;-2.33,-2.69,;-3.67,-1.93,;-3.67,-.38,;-2.33,.38,;-1,-.38,;.34,.38,;.34,1.93,;1.67,2.69,;3,1.93,;3,.38,;4.34,2.69,;4.34,4.23,;5.67,5,;7,4.23,;7,2.69,;8.34,1.93,;8.34,.38,;9.67,-.38,;11.01,.38,;12.34,-.38,;11.01,1.93,;9.67,2.69,;5.67,1.93,;5.67,.38,;-1,2.69,;-2.33,1.93,;-3.67,2.69,;-5,-2.69,)|
CC(O)C(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
CC(C)(O)C(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
CC(O)CC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)nn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
Cc1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(NC(C)(C)CO)c34)c(F)c2)c(=O)n(n1)-c1ccc(F)cc1
COCC(C)(CCO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
O[C@@H](CNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12)C(F)(F)F |r|
OCC(CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
COCC(CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
COCC(C)(CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
COCC(CCO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
COCCC(CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
OCC(F)(F)CNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
OCC(CC(F)F)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
OCC(CC(F)(F)F)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
OCC1(CCC1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
CC1(CCC[C@H]1CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CC[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CC[C@@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
OCC1(CC1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
OC[C@@H]1CCCC1Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
OCC1(CCCC1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
OC[C@H](Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12)c1ccccc1 |r|
CCC(CO)(CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
OCC(Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12)c1cccnc1
OCC(Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12)c1ccncc1
OCC(Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12)C1CCOCC1
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc5C(=O)CCCc5n(-c5ccccc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc5C(=O)CCCc5n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CC[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CC[C@@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(NC5(CO)CCC5)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(NC(C)(C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COCC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)nc3)c12
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N(C)[C@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N(C)[C@@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
C[C@@H](O)CNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](O)CNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(NCC(C)(C)O)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
C[C@H](O)[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@@H](O)[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)C(C)(C)O)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@@H](C)C(C)(C)O)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(CC5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3[nH]nc(N[C@H](C)CO)c23)c(F)c1 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C)n(-c5ccccc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C5CN(C)C5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(C5CCCC5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C5CCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)c(F)c5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5cnn(C)c5)c4=O)cc3F)c12 |r|
CCC(CC)n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(C(C)C)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(C5CCCCC5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(Cl)cc5)c4=O)cc3F)c12 |r|
C[C@@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(C5CCOCC5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)C4CCCN(C4=O)c4ccc(F)cc4)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4c(C)ccn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4nccn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(nn(-c5ccc(F)cc5)c4=O)C4CC4)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(nn(-c5ccc(F)cc5)c4=O)C(C)C)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4nn(C(C)C)c(=S)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4nn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4nn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc5C(=O)CCCc5n(-c5ccc(F)cn5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccc(F)cc5)c4=O)nc3)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5ccc(F)cc5)c4=O)nc3)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(cc(-c5ccc(F)cc5)c4=O)C(C)C)cc3F)c12 |r|
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)CO)c34)c(F)c2)c(=O)c(c1)-c1ccc(F)cc1 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(cn(-c5ccc(F)cc5)c4=O)C4CC4)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5ccc(F)c(F)c5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(Br)cn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5cccc(F)c5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(cc(-c5ccc(F)c(F)c5)c4=O)C(C)C)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(cc(-c5ccc(Cl)cc5)c4=O)C(C)C)cc3F)c12 |r|
C[C@@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(cc(-c5ccc(F)cc5)c4=O)C(C)C)cc3F)c12 |r|
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@@H](C)CO)c34)c(F)c2)c(=O)c(c1)-c1ccc(F)cc1 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(cc(-c5ccc(F)cc5F)c4=O)C(C)C)cc3F)c12 |r|
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)c(F)c2)c1=O |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(Cl)cn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
C[C@@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)c(F)c5)c4=O)cc3F)c12 |r|
CCn1nc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)c(F)c2)c1=O |r|
CCn1nc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)c(F)c2)c1=O |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4nn(C(C)C)c(=O)n(-c5ccc(F)c(F)c5)c4=O)cc3F)c12 |r|
CCn1nc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)c(F)c2)c1=O |r|
C[C@@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)C4CC5(CC5)CN(C4=O)c4ccc(F)cc4)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)C4(C)CCCN(C4=O)c4ccc(F)cc4)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc5c(O)cccc5n(-c5ccccc5)c4=O)cc3F)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)nc3)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)nn(-c5ccc(F)cc5)c4=O)nc3)c12 |r|
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)nc3)c12 |r|
COC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(C5CCCC5)c4=O)cc3F)c12 |r|
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@@H](C)COC)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
COC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(CC5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C5CCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)c(F)c5)c4=O)cc3F)c12 |r|
COC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COCC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12
COCC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4nn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(NC(C)(C)COC)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COCC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12
COCC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(CCO)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12
COC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C5CCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4nn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4nn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CC(CC(F)F)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12
CC(CC(F)F)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccc(F)cc5)c4=O)cc3F)c12
CC(CC(F)F)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(nn(-c5ccc(F)cc5)c4=O)C(C)C)cc3F)c12
CC(CC(F)F)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccc(F)cc5)c4=O)nc3)c12
CC(CC(F)F)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5ccc(F)cc5)c4=O)nc3)c12
COC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COCC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5ccc(F)cc5)c4=O)cc3F)c12
CCOC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CCOC[C@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(cc(-c5ccc(F)cc5)c4=O)C(C)C)cc3F)c12 |r|
COC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(nn(-c5ccc(F)cc5)c4=O)C(C)C)cc3F)c12 |r|
COC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(nn(-c5ccc(F)cc5)c4=O)C(C)C)nc3)c12 |r|
COC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(cn(-c5ccc(F)cc5)c4=O)C4CC4)nc3)c12 |r|
COC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5ccc(F)cc5)c4=O)nc3)c12 |r|
COC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(CC5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)COC)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3[nH]nc(N[C@H](C)COC)c23)c(F)c1 |r|
CC(C)(O)C1(CCCC1)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
CC(C)(COS(O)(=O)=O)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12
OC[C@H]1CCCC1Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COC[C@](C)(CCO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
COC[C@@](C)(CCO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c12 |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12
CCNc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c12
C[C@H](CO)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(cn(-c5ccc(F)cc5)c4=O)C(C)C)cc3F)c12 |r|
CCc1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)CO)c34)c(F)c2)c(=O)n(c1)-c1ccc(F)cc1 |r|
CCCc1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)CO)c34)c(F)c2)c(=O)n(c1)-c1ccc(F)cc1 |r|
NCC1(Cc2ccc(CN3CC[C@@H](C3)C(N)O)cc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12 |r|
NC[C@@]1(C[C@H](O)c2ccccc12)c1cccc(c1)-c1ncnc2[nH]ccc12 |r|
NC[C@@]1(C[C@@H](O)c2ccccc12)c1cccc(c1)-c1ncnc2[nH]ccc12 |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC(F)(F)F)cc(-c3ccc(F)cc3)c2=O)cc1
CCc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2cc(ccc2N)-c2ccc(OC)c(OC)c2)c1=O
COc1ccnc(N)c1-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(F)cc3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(Br)cc3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(OC(F)(F)F)cc3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3F)c2=O)cc1
CCc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(c(F)c2)-c2cc(cnc2N)-c2ccc(OC)c(OC)c2)c1=O
CCc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2cc(cnc2N)-c2ccc(OC[C@H]3COCCO3)c(OC)c2)c1=O |r|
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2cc(cnc2N)-c2cnn(C[C@H]3COCCO3)c2)c1=O |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(Br)cc3F)c2=O)cc1
CCc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2c(N)nccc2OC)c1=O
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2cc(cnc2N)-c2ccnc(C)c2)c1=O
CCc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(c(F)c2)-c2cc(cnc2N)-c2ccc(OC[C@H]3COCCO3)c(OC)c2)c1=O |r|
CCc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2cc(cnc2N)-c2cnn(CC3COCCO3)c2)c1=O
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(C)CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(C)CCOCC3)cc(-c3ccc(F)cc3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(F)CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(C)CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1 |r|
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(C)CCOCC3)cc(-c3ccc(F)cc3)c2=O)cc1 |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(C)CCOCC3)cc(-c3ccc(F)cc3)c2=O)cc1F
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(CCOCC3)C#N)cc(-c3ccc(C)cc3)c2=O)cc1F |r|
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(C)CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1F |r|
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(C)CCOCC3)cc(-c3ccc(F)cc3)c2=O)cc1F |r|
COc1cc(ccc1OCC1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(Br)cc3F)c2=O)cc1
COc1cc(ccc1OCC1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(Br)cc3F)c2=O)cc1F
COc1cc(ccc1OCC1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(Br)cc3)c2=O)cc1
COc1cc(ccc1OCC1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3F)c2=O)cc1F
COc1cc(ccc1OCC1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3F)c2=O)cc1
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(CCOCC3)C#N)cc(-c3ccc(F)cc3)c2=O)cc1F |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(CCOCC3)C#N)cc(-c3ccc(F)cc3)c2=O)cc1F
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(CCOCC3)C#N)cc(-c3ccc(C)cc3)c2=O)cc1F
COc1cc(ccc1OCC1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cn3)c2=O)cc1F
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(CCOCC3)C#N)cc(-c3ccc(F)cc3)c2=O)cc1 |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3F)c2=O)cc1F
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(C)CCOCC3)cc(-c3ccc(F)cc3F)c2=O)cc1F |r|
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(C)CCOCC3)cc(-c3ccc(F)cc3F)c2=O)cc1 |r|
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(CCOCC3)C#N)cc(-c3ccc(F)cc3F)c2=O)cc1 |r|
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(cc3F)C3CC3)c2=O)cc1F |r|
COc1cc(ccc1OC[C@@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1 |r|
COc1ccnc(N)c1-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1F |(9.34,-.77,;8,-1.54,;8,-3.08,;9.34,-3.85,;9.34,-5.39,;8,-6.16,;6.67,-5.39,;5.33,-6.16,;6.67,-3.85,;5.33,-3.08,;4,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;,-3.08,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,6.16,;-1.33,5.39,;-4,.77,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-3.85,;-5.33,-3.08,;-2.67,-1.54,;-2.67,-3.08,;4,-.77,;5.33,-1.54,;6.67,-.77,)|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(cc(-c3ccc(C)cc3)c2=O)[C@@H](C)C2CCOCC2)cc1 |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(cc(-c3ccc(C)cc3)c2=O)[C@H](C)C2CCOCC2)cc1 |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)c(F)c1
COc1ccnc(N)c1-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3C)c2=O)c(F)c1
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2cc(cnc2N)-c2cnn(C)c2)c1=O
COc1cc(ccc1OC[C@@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(CCOCC3)C#N)cc(-c3ccc(F)cc3)c2=O)cc1 |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1C
COc1ccnc(N)c1-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cn3)c2=O)cc1F |(9.34,-.77,;8,-1.54,;8,-3.08,;9.34,-3.85,;9.34,-5.39,;8,-6.16,;6.67,-5.39,;5.33,-6.16,;6.67,-3.85,;5.33,-3.08,;4,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;,-3.08,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,6.16,;-1.33,5.39,;-4,.77,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-3.85,;-5.33,-3.08,;-2.67,-1.54,;-2.67,-3.08,;4,-.77,;5.33,-1.54,;6.67,-.77,)|
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2c(C)ccnc2N)c1=O
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)c(Cl)c1
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(c(F)c2)-c2cc(cnc2N)-c2cnn(C)c2)c1=O
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2c(Cl)ccnc2N)c1=O
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(c(F)c2)-c2c(N)nccc2Cl)c1=O |(-9.34,-3.85,;-8,-3.08,;-8,-1.54,;-6.67,-.77,;-5.33,-1.54,;-5.33,-3.08,;-6.67,-3.85,;-4,-.77,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,6.16,;-1.33,5.39,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,;4,-.77,;6.67,-3.85,;6.67,-5.39,;5.33,-6.16,;8,-6.16,;9.34,-5.39,;9.34,-3.85,;8,-3.08,;8,-1.54,;-2.67,-1.54,;-2.67,-3.08,)|
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2F)-c2c(N)nccc2Cl)c1=O
COc1ccc(cc1OC)-c1cnc(N)c(n1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1
COc1cc(ccc1OC[C@@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cn3)c2=O)cc1F |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ncc(Br)cn3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ncc(Br)cn3)c2=O)cc1F
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(F)cn3)c2=O)cc1
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(F)cn3)c2=O)cc1 |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ncc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1F
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cn3)c2=O)cc1F |r|
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1 |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(CCOCC3)OC)cc(-c3ccc(C)cc3)c2=O)cc1
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(CCOCC3)OC)cc(-c3ccc(C)cc3)c2=O)cc1 |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1F
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(OC(F)(F)F)cc3)c2=O)cc1F
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(Br)cc3F)c2=O)cc1F
CN1CCN(Cc2ccc(cc2)-c2cnc(N)c(c2)-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(C)cc4)c3=O)cc2)CC1
COc1cc(OC)cc(c1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2cc(cnc2N)-c2cc(C)cc(C)c2)c1=O
COc1cc(ccn1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1
COc1cc(ccc1C)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2cc(cnc2N)-c2cc(C)nc(C)c2)c1=O
COc1cc(cc(C)n1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2cc(cnc2N)-c2ccncc2F)c1=O
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2cc(cnc2N)-c2cnnc(C)c2)c1=O
COc1cc(c(OC)nn1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1
CCOc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1
CCOc1cc(ccc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cc2)-c2cc(cnc2N)-c2ccc(CN3CCOCC3)c(F)c2)c1=O
CN1CCN(Cc2ccc(cc2F)-c2cnc(N)c(c2)-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(C)cc4)c3=O)cc2)CC1
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(c(F)c2)-c2cc(cnc2N)-c2cnn(c2)C2CCOCC2)c1=O
CCn1cc(cn1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1F
COc1cc(c(OC)nn1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cc1F
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cn1
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(nc2)-c2cc(cnc2N)-c2cc(C)nc(C)c2)c1=O
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)nc1
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cn1 |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cn3)c2=O)cn1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(F)cc3)c2=O)cn1
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(nc2)-c2cc(cnc2N)-c2cnn(C)c2)c1=O
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cn2)-c2cc(cnc2N)-c2cnn(C)c2)c1=O
COc1cc(c(OC)nn1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)cn1
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(nc2)-c2cc(cnc2N)-c2cnn(c2)C2CCOCC2)c1=O
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(cn2)-c2cc(cnc2N)-c2cc(C)nc(C)c2)c1=O
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(nc2)-c2cc(cnc2N)-c2cnn(C[C@H]3COCCO3)c2)c1=O |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)nn1
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)nn1 |r|
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(nn2)-c2cc(cnc2N)-c2cnn(CC3CCOCC3)c2)c1=O
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cn3)c2=O)nn1
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(F)cc3)c2=O)nn1 |r|
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cn3)c2=O)nn1 |r|
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)s3)c2=O)nn1 |r|
COc1cc(ccc1OCC1CCOCC1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)nn1
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(nn2)-c2cc(cnc2N)-c2cnn(C[C@H]3COCCO3)c2)c1=O |r|
Cc1ccc(cc1)-c1cn(CC2CCOCC2)cc(C(=O)Nc2ccc(nn2)-c2cc(cnc2N)-c2cnn(c2)C2CCOCC2)c1=O
COc1cc(ccc1OCCN1CCOCC1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)nn1
COc1cc(ccc1OCCN1CCCC1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cc3)c2=O)nn1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(cc3)C3CC3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cn3)c2=O)cc1
COc1cc(ccc1OCC1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)cn3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(cc3)C#N)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(Cl)cc3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)s3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(C)o3)c2=O)cc1
COc1cc(ccc1OC[C@H]1COCCO1)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3(CCOCC3)C#N)cc(-c3ccc(Br)cn3)c2=O)cc1F |r|
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ncc(C)cn3)c2=O)cc1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ncc(C)cn3)c2=O)cc1F
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)[C@@H]1CC[C@@H](CC1)Oc1ccc(=O)n(C)n1 |r,wD:17.19,20.26,(-3.02,-4.64,;-1.69,-5.41,;-.35,-4.64,;-.35,-3.1,;.98,-2.33,;1.3,-.82,;2.83,-.66,;3.46,-2.07,;4.96,-2.39,;5.59,-3.79,;7.12,-3.63,;7.44,-2.13,;8.85,-1.5,;6.11,-1.36,;2.31,-3.1,;2.31,-4.64,;.98,-5.41,;.27,.32,;-1.24,0,;-2.27,1.15,;-1.79,2.61,;-.29,2.93,;.74,1.79,;-2.82,3.76,;-4.33,3.44,;-4.81,1.97,;-6.31,1.65,;-7.34,2.8,;-8.85,2.48,;-6.87,4.26,;-7.9,5.41,;-5.36,4.58,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CCC(CC1)Oc1ccc(=O)n(C)n1 |(-6.25,-7.51,;-4.92,-6.74,;-3.59,-7.51,;-2.25,-6.74,;-2.25,-5.2,;-.92,-4.43,;-.6,-2.92,;.93,-2.76,;1.56,-4.17,;3.07,-4.49,;4.21,-3.46,;5.54,-4.23,;5.22,-5.74,;6.25,-6.88,;3.69,-5.9,;.41,-5.2,;.41,-6.74,;-.92,-7.51,;-1.63,-1.78,;-1.15,-.32,;-2.18,.83,;-3.69,.51,;-4.17,-.96,;-3.14,-2.1,;-4.72,1.65,;-4.24,3.12,;-5.28,4.26,;-4.8,5.73,;-3.29,6.05,;-2.82,7.51,;-2.26,4.9,;-.76,5.22,;-2.74,3.44,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cc(c(=O)n(C)n1)C(F)(F)F |r,wU:20.26,(-2.67,-4.64,;-1.34,-5.41,;-.01,-4.64,;-.01,-3.1,;1.33,-2.33,;1.65,-.82,;3.18,-.66,;3.81,-2.07,;5.31,-2.39,;6.46,-1.36,;7.79,-2.13,;7.47,-3.63,;8.5,-4.78,;5.94,-3.79,;2.66,-3.1,;2.66,-4.64,;1.33,-5.41,;.62,.32,;1.09,1.79,;.06,2.93,;-1.44,2.61,;-1.92,1.15,;-.89,0,;-2.47,3.76,;-3.98,3.44,;-4.46,1.97,;-5.96,1.65,;-6.99,2.8,;-8.5,2.48,;-6.52,4.26,;-7.55,5.41,;-5.01,4.58,;-6.44,.19,;-7.95,-.13,;-5.41,-.96,;-6.92,-1.28,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nn(C)c(=O)cc1C(F)(F)F |r,wU:20.26,(-2.67,-4.64,;-1.34,-5.41,;-.01,-4.64,;-.01,-3.1,;1.33,-2.33,;1.65,-.82,;3.18,-.66,;3.81,-2.07,;5.31,-2.39,;6.46,-1.36,;7.79,-2.13,;7.47,-3.63,;8.5,-4.78,;5.94,-3.79,;2.66,-3.1,;2.66,-4.64,;1.33,-5.41,;.62,.32,;1.09,1.79,;.06,2.93,;-1.44,2.61,;-1.92,1.15,;-.89,0,;-2.47,3.76,;-3.98,3.44,;-5.01,4.58,;-6.52,4.26,;-7.55,5.41,;-6.99,2.8,;-8.5,2.48,;-5.96,1.65,;-4.37,1.93,;-3.32,.8,;-2.27,-.33,;-4.45,-.24,;-2.19,1.85,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nn(C)c(=O)cc1C(F)(F)F |r,wU:21.27,(-4.01,-5.41,;-2.67,-4.64,;-1.34,-5.41,;-.01,-4.64,;-.01,-3.1,;1.33,-2.33,;1.65,-.82,;3.18,-.66,;3.81,-2.07,;5.31,-2.39,;6.46,-1.36,;7.79,-2.13,;7.47,-3.63,;8.5,-4.78,;5.94,-3.79,;2.66,-3.1,;2.66,-4.64,;1.33,-5.41,;.62,.32,;1.09,1.79,;.06,2.93,;-1.44,2.61,;-1.92,1.15,;-.89,0,;-2.47,3.76,;-3.98,3.44,;-5.01,4.58,;-6.52,4.26,;-7.55,5.41,;-6.99,2.8,;-8.5,2.48,;-5.96,1.65,;-4.37,1.93,;-3.32,.8,;-2.27,-.33,;-4.45,-.24,;-2.19,1.85,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nn(C)c(=O)cc1C |r,wU:20.26,(-2.67,-4.64,;-1.34,-5.41,;-.01,-4.64,;-.01,-3.1,;1.33,-2.33,;1.65,-.82,;3.18,-.66,;3.81,-2.07,;5.31,-2.39,;6.46,-1.36,;7.79,-2.13,;7.47,-3.63,;8.5,-4.78,;5.94,-3.79,;2.66,-3.1,;2.66,-4.64,;1.33,-5.41,;.62,.32,;1.09,1.79,;.06,2.93,;-1.44,2.61,;-1.92,1.15,;-.89,0,;-2.47,3.76,;-3.98,3.44,;-5.01,4.58,;-6.52,4.26,;-7.55,5.41,;-6.99,2.8,;-8.5,2.48,;-5.96,1.65,;-4.46,1.97,;-3.43,.83,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nn(C)c(=O)cc1C |r,wU:21.27,(-4.01,-5.41,;-2.67,-4.64,;-1.34,-5.41,;-.01,-4.64,;-.01,-3.1,;1.33,-2.33,;1.65,-.82,;3.18,-.66,;3.81,-2.07,;5.31,-2.39,;6.46,-1.36,;7.79,-2.13,;7.47,-3.63,;8.5,-4.78,;5.94,-3.79,;2.66,-3.1,;2.66,-4.64,;1.33,-5.41,;.62,.32,;1.09,1.79,;.06,2.93,;-1.44,2.61,;-1.92,1.15,;-.89,0,;-2.47,3.76,;-3.98,3.44,;-5.01,4.58,;-6.52,4.26,;-7.55,5.41,;-6.99,2.8,;-8.5,2.48,;-5.96,1.65,;-4.46,1.97,;-3.43,.83,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nn(C)c(=O)c(C)c1C |r,wU:20.26,(-2.67,-4.64,;-1.34,-5.41,;-.01,-4.64,;-.01,-3.1,;1.33,-2.33,;1.65,-.82,;3.18,-.66,;3.81,-2.07,;5.31,-2.39,;6.46,-1.36,;7.79,-2.13,;7.47,-3.63,;8.5,-4.78,;5.94,-3.79,;2.66,-3.1,;2.66,-4.64,;1.33,-5.41,;.62,.32,;1.09,1.79,;.06,2.93,;-1.44,2.61,;-1.92,1.15,;-.89,0,;-2.47,3.76,;-3.98,3.44,;-5.01,4.58,;-6.52,4.26,;-7.55,5.41,;-6.99,2.8,;-8.5,2.48,;-5.96,1.65,;-6.44,.19,;-4.46,1.97,;-3.43,.83,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(CC)n1 |r,wU:21.27,(-3.74,-5.41,;-2.41,-4.64,;-1.07,-5.41,;.26,-4.64,;.26,-3.1,;1.59,-2.33,;1.92,-.82,;3.45,-.66,;4.07,-2.07,;5.58,-2.39,;6.72,-1.36,;8.06,-2.13,;7.74,-3.63,;8.77,-4.78,;6.21,-3.79,;2.93,-3.1,;2.93,-4.64,;1.59,-5.41,;.88,.32,;1.36,1.79,;.33,2.93,;-1.18,2.61,;-1.65,1.15,;-.62,0,;-2.21,3.76,;-3.71,3.44,;-4.19,1.97,;-5.7,1.65,;-6.73,2.8,;-8.23,2.48,;-6.25,4.26,;-7.28,5.41,;-8.77,5.01,;-4.74,4.58,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(n1)C(C)C |r,wU:21.27,(-3.73,-6.14,;-2.4,-5.37,;-1.06,-6.14,;.27,-5.37,;.27,-3.83,;1.6,-3.06,;1.92,-1.55,;3.46,-1.39,;4.08,-2.8,;5.59,-3.12,;6.73,-2.09,;8.07,-2.86,;7.75,-4.36,;8.78,-5.51,;6.22,-4.53,;2.94,-3.83,;2.94,-5.37,;1.6,-6.14,;.89,-.41,;1.37,1.06,;.34,2.2,;-1.17,1.88,;-1.64,.42,;-.61,-.73,;-2.2,3.03,;-3.7,2.71,;-4.18,1.24,;-5.69,.92,;-6.72,2.06,;-8.22,1.74,;-6.24,3.53,;-4.73,3.85,;-7.27,4.67,;-8.78,4.35,;-6.8,6.14,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(Cc2ccccc2)n1 |r,wU:21.27,(-2.25,-5.75,;-.92,-4.98,;.42,-5.75,;1.75,-4.98,;1.75,-3.44,;3.08,-2.67,;3.4,-1.17,;4.93,-1,;5.56,-2.41,;7.07,-2.73,;8.21,-1.7,;9.55,-2.47,;9.22,-3.98,;10.26,-5.12,;7.69,-4.14,;4.42,-3.44,;4.42,-4.98,;3.08,-5.75,;2.37,-.02,;2.85,1.44,;1.82,2.59,;.31,2.27,;-.16,.8,;.87,-.34,;-.72,3.41,;-2.23,3.09,;-2.7,1.63,;-4.21,1.31,;-5.24,2.45,;-6.74,2.13,;-4.76,3.92,;-5.79,5.06,;-7.28,4.66,;-8.37,5.75,;-9.86,5.35,;-10.26,3.87,;-9.17,2.78,;-7.68,3.18,;-3.26,4.24,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(CC(C)C)n1 |r,wU:21.27,(-3.17,-5.72,;-1.83,-4.95,;-.5,-5.72,;.83,-4.95,;.83,-3.41,;2.17,-2.64,;2.49,-1.14,;4.02,-.98,;4.65,-2.38,;6.15,-2.7,;7.3,-1.67,;8.63,-2.44,;8.31,-3.95,;9.34,-5.09,;6.78,-4.11,;3.5,-3.41,;3.5,-4.95,;2.17,-5.72,;1.46,.01,;1.93,1.47,;.9,2.62,;-.6,2.3,;-1.08,.83,;-.05,-.31,;-1.63,3.44,;-3.14,3.12,;-3.62,1.66,;-5.12,1.34,;-6.15,2.48,;-7.66,2.16,;-5.68,3.94,;-6.76,5.03,;-8.25,4.63,;-8.65,3.15,;-9.34,5.72,;-4.17,4.26,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(CCOC)n1 |r,wU:21.27,(-2.45,-5.75,;-1.12,-4.98,;.22,-5.75,;1.55,-4.98,;1.55,-3.44,;2.88,-2.67,;3.2,-1.17,;4.73,-1,;5.36,-2.41,;6.87,-2.73,;8.01,-1.7,;9.35,-2.47,;9.03,-3.98,;10.06,-5.12,;7.49,-4.14,;4.22,-3.44,;4.22,-4.98,;2.88,-5.75,;2.17,-.02,;2.65,1.44,;1.62,2.59,;.11,2.27,;-.36,.8,;.67,-.34,;-.92,3.41,;-2.42,3.09,;-2.9,1.63,;-4.41,1.31,;-5.44,2.45,;-6.94,2.13,;-4.96,3.92,;-5.99,5.06,;-7.48,4.66,;-8.57,5.75,;-10.06,5.35,;-3.46,4.24,)|
CCn1nc(O[C@H]2CCC(CC2)n2nc(-c3cnn(C)c3)c3cnc(NC)cc23)ccc1=O |r,wU:6.5,(-8.77,5.01,;-7.28,5.41,;-6.25,4.26,;-4.74,4.58,;-3.71,3.44,;-2.21,3.76,;-1.18,2.61,;.33,2.93,;1.36,1.79,;.88,.32,;-.62,0,;-1.65,1.15,;1.92,-.82,;3.45,-.66,;4.07,-2.07,;5.58,-2.39,;6.72,-1.36,;8.06,-2.13,;7.74,-3.63,;8.77,-4.78,;6.21,-3.79,;2.93,-3.1,;2.93,-4.64,;1.59,-5.41,;.26,-4.64,;-1.07,-5.41,;-2.41,-4.64,;.26,-3.1,;1.59,-2.33,;-4.19,1.97,;-5.7,1.65,;-6.73,2.8,;-8.23,2.48,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(n1)C(C)C |r,wU:20.26,(-2.4,-5.37,;-1.06,-6.14,;.27,-5.37,;.27,-3.83,;1.6,-3.06,;1.92,-1.55,;3.46,-1.39,;4.08,-2.8,;5.59,-3.12,;6.73,-2.09,;8.07,-2.86,;7.75,-4.36,;8.78,-5.51,;6.22,-4.53,;2.94,-3.83,;2.94,-5.37,;1.6,-6.14,;.89,-.41,;1.37,1.06,;.34,2.2,;-1.17,1.88,;-1.64,.42,;-.61,-.73,;-2.2,3.03,;-3.7,2.71,;-4.18,1.24,;-5.69,.92,;-6.72,2.06,;-8.22,1.74,;-6.24,3.53,;-4.73,3.85,;-7.27,4.67,;-8.78,4.35,;-6.8,6.14,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(CC(C)C)n1 |r,wU:20.26,(-1.88,-5.05,;-.55,-5.82,;.79,-5.05,;.79,-3.51,;2.12,-2.74,;2.44,-1.23,;3.97,-1.07,;4.6,-2.48,;6.1,-2.8,;7.25,-1.77,;8.58,-2.54,;8.26,-4.04,;9.29,-5.19,;6.73,-4.21,;3.45,-3.51,;3.45,-5.05,;2.12,-5.82,;1.41,-.09,;1.89,1.38,;.85,2.52,;-.65,2.2,;-1.13,.74,;-.1,-.41,;-1.68,3.35,;-3.19,3.03,;-3.66,1.56,;-5.17,1.24,;-6.2,2.39,;-7.71,2.06,;-5.73,3.85,;-6.76,4.99,;-8.26,4.67,;-8.74,3.21,;-9.29,5.82,;-4.22,4.17,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(CCOC)n1 |r,wU:20.26,(-1.13,-5.05,;.21,-5.82,;1.54,-5.05,;1.54,-3.51,;2.87,-2.74,;3.19,-1.23,;4.72,-1.07,;5.35,-2.48,;6.86,-2.8,;8,-1.77,;9.34,-2.54,;9.02,-4.04,;10.05,-5.19,;7.48,-4.21,;4.21,-3.51,;4.21,-5.05,;2.87,-5.82,;2.16,-.09,;2.64,1.38,;1.61,2.52,;.1,2.2,;-.37,.74,;.66,-.41,;-.93,3.35,;-2.44,3.03,;-2.91,1.56,;-4.42,1.24,;-5.45,2.39,;-6.95,2.06,;-4.97,3.85,;-6,4.99,;-7.51,4.67,;-8.54,5.82,;-10.05,5.5,;-3.47,4.17,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(CCN(C)C)n1 |r,wU:20.26,(-1.13,-5.78,;.21,-6.55,;1.54,-5.78,;1.54,-4.24,;2.87,-3.47,;3.19,-1.96,;4.72,-1.8,;5.35,-3.21,;6.86,-3.53,;8,-2.5,;9.34,-3.27,;9.02,-4.78,;10.05,-5.92,;7.48,-4.94,;4.21,-4.24,;4.21,-5.78,;2.87,-6.55,;2.16,-.82,;2.64,.64,;1.61,1.79,;.1,1.47,;-.37,0,;.66,-1.14,;-.93,2.61,;-2.44,2.29,;-2.91,.83,;-4.42,.51,;-5.45,1.65,;-6.95,1.33,;-4.97,3.12,;-6,4.26,;-7.51,3.94,;-8.54,5.09,;-8.06,6.55,;-10.05,4.77,;-3.47,3.44,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(CCN(C)C)n1 |r,wU:21.27,(-2.46,-6.55,;-1.13,-5.78,;.21,-6.55,;1.54,-5.78,;1.54,-4.24,;2.87,-3.47,;3.19,-1.96,;4.72,-1.8,;5.35,-3.21,;6.86,-3.53,;8,-2.5,;9.34,-3.27,;9.02,-4.78,;10.05,-5.92,;7.48,-4.94,;4.21,-4.24,;4.21,-5.78,;2.87,-6.55,;2.16,-.82,;2.64,.64,;1.61,1.79,;.1,1.47,;-.37,0,;.66,-1.14,;-.93,2.61,;-2.44,2.29,;-2.91,.83,;-4.42,.51,;-5.45,1.65,;-6.95,1.33,;-4.97,3.12,;-6,4.26,;-7.51,3.94,;-8.54,5.09,;-10.05,4.77,;-8.06,6.55,;-3.47,3.44,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(Cc2ccc(OC)cc2)n1 |r,wU:20.26,(.38,-5.05,;1.71,-5.82,;3.05,-5.05,;3.05,-3.51,;4.38,-2.74,;4.7,-1.23,;6.23,-1.07,;6.86,-2.48,;8.36,-2.8,;9.51,-1.77,;10.84,-2.54,;10.52,-4.04,;11.55,-5.19,;8.99,-4.21,;5.71,-3.51,;5.71,-5.05,;4.38,-5.82,;3.67,-.09,;4.14,1.38,;3.11,2.52,;1.61,2.2,;1.13,.74,;2.16,-.41,;.58,3.35,;-.93,3.03,;-1.4,1.56,;-2.91,1.24,;-3.94,2.39,;-5.45,2.06,;-3.47,3.85,;-4.5,4.99,;-6,4.67,;-7.03,5.82,;-8.54,5.5,;-9.02,4.03,;-10.52,3.71,;-11.55,4.86,;-7.98,2.89,;-6.48,3.21,;-1.96,4.17,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)[nH]n1 |r,wU:20.26,(-2.67,-4.22,;-1.34,-4.99,;-.01,-4.22,;-.01,-2.68,;1.33,-1.91,;1.65,-.41,;3.18,-.25,;3.81,-1.65,;5.31,-1.97,;6.46,-.94,;7.79,-1.71,;7.47,-3.22,;8.5,-4.36,;5.94,-3.38,;2.66,-2.68,;2.66,-4.22,;1.33,-4.99,;.62,.74,;1.09,2.2,;.06,3.35,;-1.44,3.03,;-1.92,1.56,;-.89,.42,;-2.47,4.17,;-3.98,3.85,;-4.46,2.39,;-5.96,2.06,;-6.99,3.21,;-8.5,2.89,;-6.52,4.67,;-5.01,4.99,)|
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CCNc1cc2n(nc(-c3ccc(F)cc3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(C)n1 |r,wU:22.28,(-4.67,-5.41,;-3.34,-4.64,;-2.01,-5.41,;-.67,-4.64,;-.67,-3.1,;.66,-2.33,;.98,-.82,;2.51,-.66,;3.14,-2.07,;4.65,-2.39,;5.12,-3.85,;6.63,-4.17,;7.66,-3.03,;9.17,-3.35,;7.18,-1.56,;5.68,-1.24,;2,-3.1,;2,-4.64,;.66,-5.41,;-.05,.32,;.43,1.79,;-.6,2.93,;-2.11,2.61,;-2.59,1.15,;-1.55,0,;-3.14,3.76,;-4.65,3.44,;-5.12,1.97,;-6.63,1.65,;-7.66,2.8,;-9.17,2.48,;-7.18,4.26,;-8.21,5.41,;-5.68,4.58,)|
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CCNc1cc2n(nc(-c3ccc(CN4CCN(C)CC4)nc3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(CC)n1 |r,wU:29.36,(-5.63,-3.51,;-4.3,-2.74,;-2.97,-3.51,;-1.63,-2.74,;-1.63,-1.2,;-.3,-.43,;.02,1.08,;1.55,1.24,;2.18,-.17,;3.68,-.49,;4.72,.66,;6.22,.34,;6.7,-1.13,;8.2,-1.45,;8.68,-2.91,;7.65,-4.06,;8.13,-5.52,;9.63,-5.84,;10.11,-7.31,;10.66,-4.7,;10.19,-3.23,;5.67,-2.27,;4.16,-1.95,;1.03,-1.2,;1.03,-2.74,;-.3,-3.51,;-1.01,2.22,;-.53,3.69,;-1.56,4.83,;-3.07,4.51,;-3.55,3.05,;-2.52,1.9,;-4.1,5.66,;-5.61,5.34,;-6.08,3.87,;-7.59,3.55,;-8.62,4.7,;-10.13,4.38,;-8.14,6.16,;-9.17,7.31,;-10.66,6.91,;-6.64,6.48,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(C)n1 |r,wU:25.31,14.14,(-4.35,-3.1,;-4.35,-4.64,;-3.01,-5.41,;-1.68,-4.64,;-1.68,-3.1,;-.35,-2.33,;-.03,-.82,;1.5,-.66,;2.13,-2.07,;3.64,-2.39,;4.26,-3.79,;5.79,-3.63,;6.12,-2.13,;7.52,-1.5,;8.77,-2.4,;10.17,-1.78,;8.61,-3.94,;9.85,-4.84,;4.78,-1.36,;.99,-3.1,;.99,-4.64,;-.35,-5.41,;-1.06,.32,;-.58,1.79,;-1.61,2.93,;-3.12,2.61,;-3.59,1.15,;-2.56,0,;-4.15,3.76,;-5.66,3.44,;-6.13,1.97,;-7.64,1.65,;-8.67,2.8,;-10.17,2.48,;-8.19,4.26,;-9.22,5.41,;-6.69,4.58,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(CC)n1 |r,wU:25.31,14.14,(-4.08,-3.1,;-4.08,-4.64,;-2.75,-5.41,;-1.41,-4.64,;-1.41,-3.1,;-.08,-2.33,;.24,-.82,;1.77,-.66,;2.4,-2.07,;3.9,-2.39,;4.53,-3.79,;6.06,-3.63,;6.38,-2.13,;7.79,-1.5,;9.04,-2.4,;10.44,-1.78,;8.87,-3.94,;10.12,-4.84,;5.05,-1.36,;1.25,-3.1,;1.25,-4.64,;-.08,-5.41,;-.79,.32,;-.31,1.79,;-1.34,2.93,;-2.85,2.61,;-3.33,1.15,;-2.3,0,;-3.88,3.76,;-5.39,3.44,;-5.86,1.97,;-7.37,1.65,;-8.4,2.8,;-9.91,2.48,;-7.92,4.26,;-8.95,5.41,;-10.44,5.01,;-6.42,4.58,)|
CCNc1cc2n(nc(-c3ccc(CN4CC(F)C4)cc3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(C)n1 |r,wU:27.34,(-5.54,-3.9,;-4.21,-3.13,;-2.87,-3.9,;-1.54,-3.13,;-1.54,-1.59,;-.2,-.82,;.12,.69,;1.65,.85,;2.27,-.56,;3.78,-.88,;4.26,-2.34,;5.76,-2.66,;6.79,-1.52,;8.3,-1.84,;8.7,-3.32,;7.93,-4.66,;9.26,-5.43,;9.66,-6.92,;10.03,-4.09,;6.32,-.05,;4.81,.27,;1.13,-1.59,;1.13,-3.13,;-.2,-3.9,;-.91,1.83,;-.44,3.3,;-1.47,4.44,;-2.98,4.12,;-3.45,2.66,;-2.42,1.51,;-4.01,5.27,;-5.51,4.95,;-5.99,3.48,;-7.49,3.16,;-8.53,4.31,;-10.03,3.99,;-8.05,5.77,;-9.08,6.92,;-6.54,6.09,)|
CCNc1cc2n(nc(-c3ccc(cc3)C3(CC3)N3CCN(C)CC3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(C)n1 |r,wU:31.39,(-5.9,-3.51,;-4.57,-2.74,;-3.23,-3.51,;-1.9,-2.74,;-1.9,-1.2,;-.57,-.43,;-.25,1.08,;1.28,1.24,;1.91,-.17,;3.42,-.49,;3.89,-1.95,;5.4,-2.27,;6.43,-1.13,;5.95,.34,;4.45,.66,;7.94,-1.45,;9.4,-.97,;8.26,.06,;8.41,-2.91,;7.38,-4.06,;7.86,-5.52,;9.36,-5.84,;9.84,-7.31,;10.39,-4.7,;9.92,-3.23,;.77,-1.2,;.77,-2.74,;-.57,-3.51,;-1.28,2.22,;-.8,3.69,;-1.83,4.83,;-3.34,4.51,;-3.81,3.05,;-2.78,1.9,;-4.37,5.66,;-5.88,5.34,;-6.35,3.87,;-7.86,3.55,;-8.89,4.7,;-10.39,4.38,;-8.41,6.16,;-9.44,7.31,;-6.91,6.48,)|
CNc1cc2n(cc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(C)n1 |r,wU:20.26,(-3.02,-4.64,;-1.69,-5.41,;-.35,-4.64,;-.35,-3.1,;.98,-2.33,;1.3,-.82,;2.83,-.66,;3.46,-2.07,;4.96,-2.39,;5.59,-3.79,;7.12,-3.63,;7.44,-2.13,;8.85,-1.5,;6.11,-1.36,;2.31,-3.1,;2.31,-4.64,;.98,-5.41,;.27,.32,;.74,1.79,;-.29,2.93,;-1.79,2.61,;-2.27,1.15,;-1.24,0,;-2.82,3.76,;-4.33,3.44,;-4.81,1.97,;-6.31,1.65,;-7.34,2.8,;-8.85,2.48,;-6.87,4.26,;-7.9,5.41,;-5.36,4.58,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ccc(=O)n(C)n2)c2cc(Nc3ccccc3)ncc12 |r,wU:12.16,(8.85,-1.5,;7.44,-2.13,;6.11,-1.36,;4.96,-2.39,;5.59,-3.79,;7.12,-3.63,;3.46,-2.07,;2.83,-.66,;1.3,-.82,;.27,.32,;.74,1.79,;-.29,2.93,;-1.79,2.61,;-2.27,1.15,;-1.24,0,;-2.82,3.76,;-4.33,3.44,;-4.81,1.97,;-6.31,1.65,;-7.34,2.8,;-8.85,2.48,;-6.87,4.26,;-7.9,5.41,;-5.36,4.58,;.98,-2.33,;-.35,-3.1,;-.35,-4.64,;-1.69,-5.41,;-3.02,-4.64,;-3.02,-3.1,;-4.36,-2.33,;-5.69,-3.1,;-5.69,-4.64,;-4.36,-5.41,;.98,-5.41,;2.31,-4.64,;2.31,-3.1,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ccc(=O)n(C)n2)c2cc(Nc3cccc(F)c3)ncc12 |r,wU:12.16,(8.85,-1.5,;7.44,-2.13,;6.11,-1.36,;4.96,-2.39,;5.59,-3.79,;7.12,-3.63,;3.46,-2.07,;2.83,-.66,;1.3,-.82,;.27,.32,;.74,1.79,;-.29,2.93,;-1.79,2.61,;-2.27,1.15,;-1.24,0,;-2.82,3.76,;-4.33,3.44,;-4.81,1.97,;-6.31,1.65,;-7.34,2.8,;-8.85,2.48,;-6.87,4.26,;-7.9,5.41,;-5.36,4.58,;.98,-2.33,;-.35,-3.1,;-.35,-4.64,;-1.69,-5.41,;-3.02,-4.64,;-3.02,-3.1,;-4.36,-2.33,;-5.69,-3.1,;-5.69,-4.64,;-7.02,-5.41,;-4.36,-5.41,;.98,-5.41,;2.31,-4.64,;2.31,-3.1,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ccc(=O)n(C)n2)c2cc(Nc3ccccc3F)ncc12 |r,wU:12.16,(8.85,-.73,;7.44,-1.36,;6.11,-.59,;4.96,-1.62,;5.59,-3.02,;7.12,-2.86,;3.46,-1.3,;2.83,.11,;1.3,-.05,;.27,1.09,;.74,2.56,;-.29,3.7,;-1.79,3.38,;-2.27,1.92,;-1.24,.77,;-2.82,4.53,;-4.33,4.21,;-4.81,2.74,;-6.31,2.42,;-7.34,3.57,;-8.85,3.25,;-6.87,5.03,;-7.9,6.18,;-5.36,5.35,;.98,-1.56,;-.35,-2.33,;-.35,-3.87,;-1.69,-4.64,;-3.02,-3.87,;-3.02,-2.33,;-4.36,-1.56,;-5.69,-2.33,;-5.69,-3.87,;-4.36,-4.64,;-4.36,-6.18,;.98,-4.64,;2.31,-3.87,;2.31,-2.33,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ccc(=O)n(C)n2)c2cc(Nc3ccc(F)cc3)ncc12 |r,wU:12.16,(8.85,-1.5,;7.44,-2.13,;6.11,-1.36,;4.96,-2.39,;5.59,-3.79,;7.12,-3.63,;3.46,-2.07,;2.83,-.66,;1.3,-.82,;.27,.32,;.74,1.79,;-.29,2.93,;-1.79,2.61,;-2.27,1.15,;-1.24,0,;-2.82,3.76,;-4.33,3.44,;-4.81,1.97,;-6.31,1.65,;-7.34,2.8,;-8.85,2.48,;-6.87,4.26,;-7.9,5.41,;-5.36,4.58,;.98,-2.33,;-.35,-3.1,;-.35,-4.64,;-1.69,-5.41,;-3.02,-4.64,;-3.02,-3.1,;-4.36,-2.33,;-5.69,-3.1,;-7.02,-2.33,;-5.69,-4.64,;-4.36,-5.41,;.98,-5.41,;2.31,-4.64,;2.31,-3.1,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ccc(=O)n(C)n2)c2cc(Nc3ccc(cc3)C#N)ncc12 |r,wU:12.16,(8.85,-1.5,;7.44,-2.13,;6.11,-1.36,;4.96,-2.39,;5.59,-3.79,;7.12,-3.63,;3.46,-2.07,;2.83,-.66,;1.3,-.82,;.27,.32,;.74,1.79,;-.29,2.93,;-1.79,2.61,;-2.27,1.15,;-1.24,0,;-2.82,3.76,;-4.33,3.44,;-4.81,1.97,;-6.31,1.65,;-7.34,2.8,;-8.85,2.48,;-6.87,4.26,;-7.9,5.41,;-5.36,4.58,;.98,-2.33,;-.35,-3.1,;-.35,-4.64,;-1.69,-5.41,;-3.02,-4.64,;-3.02,-3.1,;-4.36,-2.33,;-5.74,-3.07,;-5.69,-4.64,;-4.36,-5.41,;-7.07,-2.3,;-8.4,-1.53,;.98,-5.41,;2.31,-4.64,;2.31,-3.1,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ccc(=O)n(C)n2)c2cc(NCC(F)(F)F)ncc12 |r,wU:12.16,(8.85,-1.5,;7.44,-2.13,;6.11,-1.36,;4.96,-2.39,;5.59,-3.79,;7.12,-3.63,;3.46,-2.07,;2.83,-.66,;1.3,-.82,;.27,.32,;.74,1.79,;-.29,2.93,;-1.79,2.61,;-2.27,1.15,;-1.24,0,;-2.82,3.76,;-4.33,3.44,;-4.81,1.97,;-6.31,1.65,;-7.34,2.8,;-8.85,2.48,;-6.87,4.26,;-7.9,5.41,;-5.36,4.58,;.98,-2.33,;-.35,-3.1,;-.35,-4.64,;-1.69,-5.41,;-3.02,-4.64,;-4.36,-5.41,;-5.69,-4.64,;-4.36,-6.95,;-5.69,-6.18,;.98,-5.41,;2.31,-4.64,;2.31,-3.1,)|
CC(C)Nc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(C)n1 |r,wU:22.28,(-3.02,-3.1,;-3.02,-4.64,;-4.36,-5.41,;-1.69,-5.41,;-.35,-4.64,;-.35,-3.1,;.98,-2.33,;1.3,-.82,;2.83,-.66,;3.46,-2.07,;4.96,-2.39,;5.59,-3.79,;7.12,-3.63,;7.44,-2.13,;8.85,-1.5,;6.11,-1.36,;2.31,-3.1,;2.31,-4.64,;.98,-5.41,;.27,.32,;.74,1.79,;-.29,2.93,;-1.79,2.61,;-2.27,1.15,;-1.24,0,;-2.82,3.76,;-4.33,3.44,;-4.81,1.97,;-6.31,1.65,;-7.34,2.8,;-8.85,2.48,;-6.87,4.26,;-7.9,5.41,;-5.36,4.58,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ccc(=O)n(C)n2)c2cc(NC3CCC3)ncc12 |r,wU:12.16,(8.85,-1.5,;7.44,-2.13,;6.11,-1.36,;4.96,-2.39,;5.59,-3.79,;7.12,-3.63,;3.46,-2.07,;2.83,-.66,;1.3,-.82,;.27,.32,;.74,1.79,;-.29,2.93,;-1.79,2.61,;-2.27,1.15,;-1.24,0,;-2.82,3.76,;-4.33,3.44,;-4.81,1.97,;-6.31,1.65,;-7.34,2.8,;-8.85,2.48,;-6.87,4.26,;-7.9,5.41,;-5.36,4.58,;.98,-2.33,;-.35,-3.1,;-.35,-4.64,;-1.69,-5.41,;-3.02,-4.64,;-3.42,-3.15,;-4.91,-3.55,;-4.51,-5.03,;.98,-5.41,;2.31,-4.64,;2.31,-3.1,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(C)n1 |r,wU:20.26,(-3.02,-4.64,;-1.69,-5.41,;-.35,-4.64,;-.35,-3.1,;.98,-2.33,;1.3,-.82,;2.83,-.66,;3.46,-2.07,;4.96,-2.39,;5.59,-3.79,;7.12,-3.63,;7.44,-2.13,;8.85,-1.5,;6.11,-1.36,;2.31,-3.1,;2.31,-4.64,;.98,-5.41,;.27,.32,;.74,1.79,;-.29,2.93,;-1.79,2.61,;-2.27,1.15,;-1.24,0,;-2.82,3.76,;-4.33,3.44,;-4.81,1.97,;-6.31,1.65,;-7.34,2.8,;-8.85,2.48,;-6.87,4.26,;-7.9,5.41,;-5.36,4.58,)|
CNc1cc2n(cc(-c3ccn(C)n3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(C)n1 |r,wU:20.26,(-3.02,-4.64,;-1.69,-5.41,;-.35,-4.64,;-.35,-3.1,;.98,-2.33,;1.3,-.82,;2.83,-.66,;3.46,-2.07,;4.96,-2.39,;5.59,-3.79,;7.12,-3.63,;7.44,-2.13,;8.85,-1.5,;6.11,-1.36,;2.31,-3.1,;2.31,-4.64,;.98,-5.41,;.27,.32,;.74,1.79,;-.29,2.93,;-1.79,2.61,;-2.27,1.15,;-1.24,0,;-2.82,3.76,;-4.33,3.44,;-4.81,1.97,;-6.31,1.65,;-7.34,2.8,;-8.85,2.48,;-6.87,4.26,;-7.9,5.41,;-5.36,4.58,)|
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CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(=O)n1C |r,wD:20.26,(-3.5,-4.96,;-2.16,-5.73,;-.83,-4.96,;-.83,-3.42,;.5,-2.65,;.82,-1.14,;2.35,-.98,;2.98,-2.39,;4.49,-2.71,;5.11,-4.11,;6.65,-3.95,;6.97,-2.45,;8.37,-1.82,;5.63,-1.68,;1.84,-3.42,;1.84,-4.96,;.5,-5.73,;-.21,0,;-1.71,-.32,;-2.74,.83,;-2.27,2.29,;-.76,2.61,;.27,1.47,;-3.3,3.44,;-4.81,3.12,;-5.28,1.65,;-6.79,1.33,;-7.82,2.48,;-7.34,3.94,;-8.37,5.09,;-5.84,4.26,;-5.36,5.73,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccn(C)c1=O |r,wU:21.27,(-4.83,-5.73,;-3.5,-4.96,;-2.16,-5.73,;-.83,-4.96,;-.83,-3.42,;.5,-2.65,;.82,-1.14,;2.35,-.98,;2.98,-2.39,;4.49,-2.71,;5.11,-4.11,;6.65,-3.95,;6.97,-2.45,;8.37,-1.82,;5.63,-1.68,;1.84,-3.42,;1.84,-4.96,;.5,-5.73,;-.21,0,;.27,1.47,;-.76,2.61,;-2.27,2.29,;-2.74,.83,;-1.71,-.32,;-3.3,3.44,;-4.81,3.12,;-5.28,1.65,;-6.79,1.33,;-7.82,2.48,;-7.34,3.94,;-8.37,5.09,;-5.84,4.26,;-5.36,5.73,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(=O)n1C |r,wU:20.26,(-3.5,-4.96,;-2.16,-5.73,;-.83,-4.96,;-.83,-3.42,;.5,-2.65,;.82,-1.14,;2.35,-.98,;2.98,-2.39,;4.49,-2.71,;5.11,-4.11,;6.65,-3.95,;6.97,-2.45,;8.37,-1.82,;5.63,-1.68,;1.84,-3.42,;1.84,-4.96,;.5,-5.73,;-.21,0,;.27,1.47,;-.76,2.61,;-2.27,2.29,;-2.74,.83,;-1.71,-.32,;-3.3,3.44,;-4.81,3.12,;-5.28,1.65,;-6.79,1.33,;-7.82,2.48,;-7.34,3.94,;-8.37,5.09,;-5.84,4.26,;-5.36,5.73,)|
CCn1c(O[C@H]2CCC(CC2)n2nc(-c3cnn(C)c3)c3cnc(NC)cc23)cccc1=O |r,wU:5.4,(-6.39,6.3,;-5.36,5.15,;-5.84,3.69,;-4.81,2.55,;-3.3,2.87,;-2.27,1.72,;-.76,2.04,;.27,.9,;-.21,-.57,;-1.71,-.89,;-2.74,.26,;.82,-1.71,;2.35,-1.55,;2.98,-2.96,;4.49,-3.28,;5.11,-4.69,;6.65,-4.52,;6.97,-3.02,;8.37,-2.39,;5.63,-2.25,;1.84,-3.99,;1.84,-5.53,;.5,-6.3,;-.83,-5.53,;-2.16,-6.3,;-3.5,-5.53,;-.83,-3.99,;.5,-3.22,;-5.28,1.08,;-6.79,.76,;-7.82,1.9,;-7.34,3.37,;-8.37,4.51,)|
CCNc1cc2n(nc(-c3ccc(CNC(C)=O)cc3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(C)n1 |r,wU:26.32,(-4.91,-4.4,;-3.58,-3.63,;-2.24,-4.4,;-.91,-3.63,;-.91,-2.09,;.42,-1.32,;.74,.19,;2.28,.35,;2.9,-1.06,;4.41,-1.38,;4.88,-2.84,;6.39,-3.16,;7.42,-2.02,;8.93,-2.34,;9.4,-3.8,;8.37,-4.95,;6.87,-4.63,;8.85,-6.41,;6.95,-.55,;5.44,-.23,;1.76,-2.09,;1.76,-3.63,;.42,-4.4,;-.29,1.33,;.19,2.8,;-.84,3.94,;-2.35,3.62,;-2.82,2.16,;-1.79,1.01,;-3.38,4.76,;-4.88,4.44,;-5.36,2.98,;-6.87,2.66,;-7.9,3.8,;-9.4,3.48,;-7.42,5.27,;-8.45,6.41,;-5.91,5.59,)|
CCNc1cc2n(nc(C3CCN(C)CC3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(=O)n(C)n1 |r,wU:22.28,(-4.67,-5.41,;-3.34,-4.64,;-2.01,-5.41,;-.67,-4.64,;-.67,-3.1,;.66,-2.33,;.98,-.82,;2.51,-.66,;3.14,-2.07,;4.65,-2.39,;5.12,-3.85,;6.63,-4.17,;7.66,-3.03,;9.17,-3.35,;7.18,-1.56,;5.68,-1.24,;2,-3.1,;2,-4.64,;.66,-5.41,;-.05,.32,;.43,1.79,;-.6,2.93,;-2.11,2.61,;-2.59,1.15,;-1.55,0,;-3.14,3.76,;-4.65,3.44,;-5.12,1.97,;-6.63,1.65,;-7.66,2.8,;-9.17,2.48,;-7.18,4.26,;-8.21,5.41,;-5.68,4.58,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cc(=O)cnn1C |r,wU:20.26,(-3.78,-4.96,;-2.44,-5.73,;-1.11,-4.96,;-1.11,-3.42,;.23,-2.65,;.55,-1.14,;2.08,-.98,;2.7,-2.39,;4.21,-2.71,;4.84,-4.11,;6.37,-3.95,;6.69,-2.45,;8.09,-1.82,;5.35,-1.68,;1.56,-3.42,;1.56,-4.96,;.23,-5.73,;-.48,0,;-.01,1.47,;-1.04,2.61,;-2.55,2.29,;-3.02,.83,;-1.99,-.32,;-3.58,3.44,;-5.08,3.12,;-5.56,1.65,;-7.06,1.33,;-7.54,-.13,;-8.09,2.48,;-7.62,3.94,;-6.11,4.26,;-5.64,5.73,)|
CNc1cc2n(nc(-c3ccc(cc3)C(=O)N3CCN(C)CC3)c2cn1)C1CC[C@@H](CC1)Oc1ccccn1 |r,wU:29.36,(-6.15,-4.22,;-4.82,-4.99,;-3.49,-4.22,;-3.49,-2.68,;-2.15,-1.91,;-1.83,-.41,;-.3,-.25,;.33,-1.65,;1.83,-1.97,;2.31,-3.44,;3.81,-3.76,;4.84,-2.61,;4.37,-1.15,;2.86,-.83,;6.35,-2.93,;6.83,-4.4,;7.38,-1.79,;8.89,-2.11,;9.92,-.97,;9.44,.5,;10.47,1.64,;7.94,.82,;6.91,-.33,;-.82,-2.68,;-.82,-4.22,;-2.15,-4.99,;-2.86,.74,;-2.39,2.2,;-3.42,3.35,;-4.92,3.03,;-5.4,1.56,;-4.37,.42,;-5.95,4.17,;-7.46,3.85,;-8.49,4.99,;-10,4.67,;-10.47,3.21,;-9.44,2.06,;-7.94,2.39,)|
CNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1ccccn1 |r,wD:24.30,(6.22,-.81,;4.89,-.04,;3.55,-.81,;2.22,-.04,;.89,-.81,;-.58,-.33,;-1.48,-1.58,;-.58,-2.82,;-1.05,-4.29,;-.15,-5.53,;-1.05,-6.78,;-2.52,-6.3,;-2.52,-4.76,;-3.76,-7.21,;-4.67,-5.96,;-2.86,-8.46,;-5.01,-8.11,;-6.26,-9.02,;.89,-2.35,;2.22,-3.12,;3.55,-2.35,;-1.05,1.13,;-2.56,1.45,;-3.04,2.92,;-2.01,4.06,;-.5,3.74,;-.02,2.28,;-2.48,5.53,;-1.45,6.67,;-1.93,8.14,;-.9,9.28,;.61,8.96,;1.09,7.5,;.05,6.35,)|
CNc1cc2n(nc(-c3ccc(F)cc3)c2cn1)C1CC[C@@H](CC1)Oc1ccccn1 |r,wU:21.27,(-4.09,-4.22,;-2.76,-4.99,;-1.43,-4.22,;-1.43,-2.68,;-.09,-1.91,;.23,-.41,;1.76,-.25,;2.39,-1.65,;3.89,-1.97,;4.37,-3.44,;5.88,-3.76,;6.91,-2.61,;8.41,-2.93,;6.43,-1.15,;4.92,-.83,;1.24,-2.68,;1.24,-4.22,;-.09,-4.99,;-.8,.74,;-.33,2.2,;-1.36,3.35,;-2.86,3.03,;-3.34,1.56,;-2.31,.42,;-3.89,4.17,;-5.4,3.85,;-6.43,4.99,;-7.94,4.67,;-8.41,3.21,;-7.38,2.06,;-5.88,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnn1 |r,wD:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-1.99,.42,;-3.02,1.56,;-2.55,3.03,;-1.04,3.35,;-.01,2.2,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnn1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccnc(C)c1 |r,wD:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-1.99,.42,;-3.02,1.56,;-2.55,3.03,;-1.04,3.35,;-.01,2.2,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ncccc1F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(OC)nn1 |r,wU:20.26,(-2.51,-4.22,;-1.17,-4.99,;.16,-4.22,;.16,-2.68,;1.49,-1.91,;1.81,-.41,;3.35,-.25,;3.97,-1.65,;5.48,-1.97,;6.1,-3.38,;7.64,-3.22,;7.96,-1.71,;9.36,-1.09,;6.62,-.94,;2.83,-2.68,;2.83,-4.22,;1.49,-4.99,;.78,.74,;1.26,2.2,;.23,3.35,;-1.28,3.03,;-1.75,1.56,;-.72,.42,;-2.31,4.17,;-3.81,3.85,;-4.29,2.39,;-5.8,2.06,;-6.83,3.21,;-8.33,2.89,;-9.36,4.03,;-6.35,4.67,;-4.84,4.99,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ncccc1C |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ncccc1C(F)(F)F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.52,2.34,;-4.49,1.2,;-3.46,.06,;-3.35,2.23,;-5.64,.17,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(C)n1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cn1)C#N |r,wU:20.26,(-2.27,-4.22,;-.94,-4.99,;.4,-4.22,;.4,-2.68,;1.73,-1.91,;2.05,-.41,;3.58,-.25,;4.21,-1.65,;5.72,-1.97,;6.34,-3.38,;7.87,-3.22,;8.19,-1.71,;9.6,-1.09,;6.86,-.94,;3.07,-2.68,;3.07,-4.22,;1.73,-4.99,;1.02,.74,;1.5,2.2,;.47,3.35,;-1.04,3.03,;-1.52,1.56,;-.48,.42,;-2.07,4.17,;-3.58,3.85,;-4.61,4.99,;-6.11,4.67,;-6.64,3.2,;-5.56,2.06,;-4.05,2.39,;-8.15,2.88,;-9.66,2.56,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,)|
CCCn1cc(O[C@H]2CCC(CC2)n2nc(-c3cnn(C)c3)c3cnc(NC)cc23)cn1 |r,wU:7.6,(-8.53,-1.06,;-7.44,.03,;-7.84,1.52,;-6.81,2.66,;-5.28,2.5,;-4.65,3.91,;-3.14,4.23,;-2.11,3.08,;-.61,3.4,;.42,2.26,;-.05,.79,;-1.56,.47,;-2.59,1.62,;.98,-.35,;2.51,-.19,;3.14,-1.6,;4.64,-1.92,;5.27,-3.32,;6.8,-3.16,;7.12,-1.66,;8.53,-1.03,;5.79,-.89,;1.99,-2.63,;1.99,-4.17,;.66,-4.94,;-.67,-4.17,;-2.01,-4.94,;-3.34,-4.17,;-.67,-2.63,;.66,-1.86,;-5.79,4.94,;-7.13,4.17,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(OC)nc1 |r,wU:20.26,(-2.78,-4.22,;-1.45,-4.99,;-.12,-4.22,;-.12,-2.68,;1.22,-1.91,;1.54,-.41,;3.07,-.25,;3.69,-1.65,;5.2,-1.97,;5.83,-3.38,;7.36,-3.22,;7.68,-1.71,;9.09,-1.09,;6.35,-.94,;2.55,-2.68,;2.55,-4.22,;1.22,-4.99,;.51,.74,;.98,2.2,;-.05,3.35,;-1.55,3.03,;-2.03,1.56,;-1,.42,;-2.58,4.17,;-4.09,3.85,;-5.12,4.99,;-6.63,4.67,;-7.1,3.21,;-8.61,2.89,;-9.09,1.42,;-6.07,2.06,;-4.57,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(OCc2ccccc2)nc1 |r,wU:20.26,(-3.02,-4.22,;-1.69,-4.99,;-.35,-4.22,;-.35,-2.68,;.98,-1.91,;1.3,-.41,;2.83,-.25,;3.46,-1.65,;4.96,-1.97,;5.59,-3.38,;7.12,-3.22,;7.44,-1.71,;8.85,-1.09,;6.11,-.94,;2.31,-2.68,;2.31,-4.22,;.98,-4.99,;.27,.74,;.74,2.2,;-.29,3.35,;-1.79,3.03,;-2.27,1.56,;-1.24,.42,;-2.82,4.17,;-4.33,3.85,;-5.36,4.99,;-6.87,4.67,;-7.34,3.21,;-8.85,2.89,;-9.88,4.03,;-11.38,3.71,;-12.42,4.86,;-13.92,4.54,;-14.4,3.07,;-13.37,1.93,;-11.86,2.25,;-6.31,2.06,;-4.81,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cncc(F)c1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cncc(Cl)c1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cncc(C)c1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cnccc1C |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C(F)(F)F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.52,2.34,;-4.49,1.2,;-3.46,.06,;-3.35,2.23,;-5.64,.17,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccn1 |r,wD:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-1.99,.42,;-3.02,1.56,;-2.55,3.03,;-1.04,3.35,;-.01,2.2,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1 |r,wD:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-1.99,.42,;-3.02,1.56,;-2.55,3.03,;-1.04,3.35,;-.01,2.2,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C#N |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.52,2.34,;-4.49,1.2,;-3.46,.06,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cncnc1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1OC |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-5,-.22,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccnn1C |r,wU:20.26,(-4.04,-4.17,;-2.71,-4.94,;-1.38,-4.17,;-1.38,-2.63,;-.04,-1.86,;.28,-.35,;1.81,-.19,;2.44,-1.6,;3.94,-1.92,;4.57,-3.32,;6.1,-3.16,;6.42,-1.66,;7.83,-1.03,;5.09,-.89,;1.29,-2.63,;1.29,-4.17,;-.04,-4.94,;-.75,.79,;-.28,2.26,;-1.31,3.4,;-2.81,3.08,;-3.29,1.62,;-2.26,.47,;-3.84,4.23,;-5.35,3.91,;-6.49,4.94,;-7.83,4.17,;-7.51,2.66,;-5.98,2.5,;-5.21,1.17,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cnn(C)c1 |r,wU:20.26,(-3.69,-4.17,;-2.35,-4.94,;-1.02,-4.17,;-1.02,-2.63,;.31,-1.86,;.63,-.35,;2.17,-.19,;2.79,-1.6,;4.3,-1.92,;4.92,-3.32,;6.46,-3.16,;6.78,-1.66,;8.18,-1.03,;5.44,-.89,;1.65,-2.63,;1.65,-4.17,;.31,-4.94,;-.4,.79,;.08,2.26,;-.95,3.4,;-2.46,3.08,;-2.93,1.62,;-1.9,.47,;-3.49,4.23,;-4.99,3.91,;-6.14,4.94,;-7.47,4.17,;-7.15,2.66,;-8.18,1.52,;-5.62,2.5,)|
CCc1ncccc1O[C@H]1CCC(CC1)n1nc(-c2cnn(C)c2)c2cnc(NC)cc12 |r,wU:9.9,(-5,-.22,;-4.53,1.24,;-5.56,2.39,;-7.06,2.06,;-8.09,3.21,;-7.62,4.67,;-6.11,4.99,;-5.08,3.85,;-3.58,4.17,;-2.55,3.03,;-1.04,3.35,;-.01,2.2,;-.48,.74,;-1.99,.42,;-3.02,1.56,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-1.11,-4.22,;-2.44,-4.99,;-3.78,-4.22,;-1.11,-2.68,;.23,-1.91,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C)n1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cc(C)ccn1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-5.56,2.39,;-7.06,2.06,;-7.54,.6,;-8.09,3.21,;-7.62,4.67,;-6.11,4.99,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccnnc1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-5.56,2.39,;-7.06,2.06,;-8.09,3.21,;-7.62,4.67,;-6.11,4.99,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccnc1C |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ncc(C)nc1C |r,wU:20.26,(-3.02,-4.22,;-1.69,-4.99,;-.35,-4.22,;-.35,-2.68,;.98,-1.91,;1.3,-.41,;2.83,-.25,;3.46,-1.65,;4.96,-1.97,;5.59,-3.38,;7.12,-3.22,;7.44,-1.71,;8.85,-1.09,;6.11,-.94,;2.31,-2.68,;2.31,-4.22,;.98,-4.99,;.27,.74,;.74,2.2,;-.29,3.35,;-1.79,3.03,;-2.27,1.56,;-1.24,.42,;-2.82,4.17,;-4.33,3.85,;-5.36,4.99,;-6.87,4.67,;-7.34,3.21,;-8.85,2.89,;-6.31,2.06,;-4.81,2.39,;-3.77,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ncncc1C |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(n1)C(F)(F)F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-7.54,.6,;-9.05,.28,;-6.51,-.54,;-8.02,-.86,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nncc(n1)N(C)C |r,wU:20.26,(-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-5.08,2.39,;-7.06,.6,;-6.03,-.54,;-8.57,.28,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccnc(n1)C(F)(F)F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-7.54,.6,;-9.05,.28,;-6.51,-.54,;-8.02,-.86,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccnc(n1)C#N |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.12,1.99,;-5.56,2.39,;-7.62,.53,;-8.11,-.93,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nc(C)ncc1F |r,wU:20.26,(-3.78,-4.96,;-2.44,-5.73,;-1.11,-4.96,;-1.11,-3.42,;.23,-2.65,;.55,-1.14,;2.08,-.98,;2.7,-2.39,;4.21,-2.71,;4.84,-4.11,;6.37,-3.95,;6.69,-2.45,;8.09,-1.82,;5.35,-1.68,;1.56,-3.42,;1.56,-4.96,;.23,-5.73,;-.48,0,;-.01,1.47,;-1.04,2.61,;-2.55,2.29,;-3.02,.83,;-1.99,-.32,;-3.58,3.44,;-5.08,3.12,;-5.56,1.65,;-7.06,1.33,;-7.54,-.13,;-8.09,2.48,;-7.62,3.94,;-6.11,4.26,;-5.64,5.73,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(OC)nc1C(F)(F)F |r,wU:20.26,(-2.51,-4.22,;-1.17,-4.99,;.16,-4.22,;.16,-2.68,;1.49,-1.91,;1.81,-.41,;3.35,-.25,;3.97,-1.65,;5.48,-1.97,;6.1,-3.38,;7.64,-3.22,;7.96,-1.71,;9.36,-1.09,;6.62,-.94,;2.83,-2.68,;2.83,-4.22,;1.49,-4.99,;.78,.74,;1.26,2.2,;.23,3.35,;-1.28,3.03,;-1.75,1.56,;-.72,.42,;-2.31,4.17,;-3.81,3.85,;-4.84,4.99,;-6.35,4.67,;-6.83,3.21,;-8.33,2.89,;-9.36,4.03,;-5.8,2.06,;-4.2,2.35,;-3.15,1.22,;-2.11,.09,;-4.28,.17,;-2.02,2.26,)|
CNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C(F)(F)F |r,wD:24.30,(5.89,-1.56,;4.56,-.79,;3.22,-1.56,;1.89,-.79,;.55,-1.56,;-.91,-1.08,;-1.82,-2.33,;-.91,-3.57,;-1.39,-5.04,;-.48,-6.29,;-1.39,-7.53,;-2.85,-7.06,;-2.85,-5.52,;-4.1,-7.96,;-5,-6.71,;-3.19,-9.21,;-5.34,-8.87,;-6.59,-9.77,;.55,-3.1,;1.89,-3.87,;3.22,-3.1,;-1.39,.38,;-2.89,.7,;-3.37,2.17,;-2.34,3.31,;-.83,2.99,;-.36,1.53,;-2.81,4.78,;-1.78,5.92,;-.28,5.6,;.75,6.74,;.28,8.21,;-1.23,8.53,;-2.26,7.38,;-3.77,7.7,;-5.27,8.02,;-3.45,9.21,;-4.09,6.2,)|
CNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1ccnn1C |r,wD:24.30,(5.94,-.7,;4.6,.07,;3.27,-.7,;1.93,.07,;.6,-.7,;-.86,-.22,;-1.77,-1.47,;-.86,-2.72,;-1.34,-4.18,;-.43,-5.43,;-1.34,-6.67,;-2.8,-6.2,;-2.8,-4.66,;-4.05,-7.1,;-4.96,-5.86,;-3.14,-8.35,;-5.3,-8.01,;-6.54,-8.91,;.6,-2.24,;1.93,-3.01,;3.27,-2.24,;-1.34,1.24,;-2.85,1.56,;-3.32,3.03,;-2.29,4.17,;-.79,3.85,;-.31,2.39,;-2.77,5.63,;-1.74,6.78,;-2.06,8.29,;-.72,9.06,;.42,8.02,;-.21,6.62,;.56,5.28,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cn(C)nc1C(F)(F)F |r,wU:20.26,(-3.34,-4.17,;-2.01,-4.94,;-.67,-4.17,;-.67,-2.63,;.66,-1.86,;.98,-.35,;2.51,-.19,;3.14,-1.6,;4.65,-1.92,;5.27,-3.32,;6.8,-3.16,;7.12,-1.66,;8.53,-1.03,;5.79,-.89,;2,-2.63,;2,-4.17,;.66,-4.94,;-.05,.79,;.43,2.26,;-.6,3.4,;-2.11,3.08,;-2.59,1.62,;-1.55,.47,;-3.14,4.23,;-4.65,3.91,;-5.79,4.94,;-7.12,4.17,;-8.53,4.79,;-6.8,2.66,;-5.26,2.41,;-4.51,1.06,;-3.76,-.28,;-3.17,1.81,;-5.86,.31,)|
CNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1cn(C)nc1C(F)(F)F |r,wD:24.30,(6.24,-1.54,;4.91,-.77,;3.57,-1.54,;2.24,-.77,;.91,-1.54,;-.56,-1.07,;-1.46,-2.31,;-.56,-3.56,;-1.03,-5.02,;-.13,-6.27,;-1.03,-7.52,;-2.5,-7.04,;-2.5,-5.5,;-3.74,-7.94,;-4.65,-6.7,;-2.84,-9.19,;-4.99,-8.85,;-6.24,-9.75,;.91,-3.08,;2.24,-3.85,;3.57,-3.08,;-1.03,.4,;-2.54,.72,;-3.02,2.18,;-1.99,3.33,;-.48,3.01,;-0,1.54,;-2.46,4.79,;-1.43,5.94,;.1,5.78,;.73,7.18,;2.23,7.5,;-.42,8.21,;-1.75,7.44,;-3.16,8.07,;-4.56,8.7,;-3.78,6.66,;-2.53,9.48,)|
CCNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C(F)(F)F |r,wD:25.31,(5.61,1.29,;4.27,.52,;4.27,-1.02,;2.94,-1.79,;1.61,-1.02,;.27,-1.79,;-1.19,-1.31,;-2.1,-2.56,;-1.19,-3.8,;-1.67,-5.27,;-.76,-6.51,;-1.67,-7.76,;-3.13,-7.28,;-3.13,-5.74,;-4.38,-8.19,;-5.28,-6.94,;-3.47,-9.43,;-5.62,-9.09,;-6.87,-10,;.27,-3.33,;1.61,-4.1,;2.94,-3.33,;-1.67,.16,;-3.17,.48,;-3.65,1.94,;-2.62,3.08,;-1.11,2.76,;-.64,1.3,;-3.1,4.55,;-2.07,5.69,;-.56,5.37,;.47,6.52,;-0,7.98,;-1.51,8.3,;-2.54,7.16,;-4.05,7.48,;-5.55,7.8,;-4.37,5.97,;-3.73,8.98,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C(C)C |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-4.93,-.25,;-3.04,.84,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccn(C)n1 |r,wU:20.26,(-3.69,-4.17,;-2.35,-4.94,;-1.02,-4.17,;-1.02,-2.63,;.31,-1.86,;.63,-.35,;2.17,-.19,;2.79,-1.6,;4.3,-1.92,;4.92,-3.32,;6.46,-3.16,;6.78,-1.66,;8.18,-1.03,;5.44,-.89,;1.65,-2.63,;1.65,-4.17,;.31,-4.94,;-.4,.79,;.08,2.26,;-.95,3.4,;-2.46,3.08,;-2.93,1.62,;-1.9,.47,;-3.49,4.23,;-4.99,3.91,;-6.14,4.94,;-7.47,4.17,;-7.15,2.66,;-8.18,1.52,;-5.62,2.5,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1CN(C)C |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-5,-.22,;-6.51,-.54,;-3.97,-1.37,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C(=O)OC |r,wU:20.26,(-3.78,-5.53,;-2.44,-6.3,;-1.11,-5.53,;-1.11,-3.99,;.23,-3.22,;.55,-1.71,;2.08,-1.55,;2.7,-2.96,;4.21,-3.28,;4.84,-4.69,;6.37,-4.52,;6.69,-3.02,;8.09,-2.39,;5.35,-2.25,;1.56,-3.99,;1.56,-5.53,;.23,-6.3,;-.48,-.57,;-.01,.9,;-1.04,2.04,;-2.55,1.72,;-3.02,.26,;-1.99,-.89,;-3.58,2.87,;-5.08,2.55,;-5.56,1.08,;-7.06,.76,;-8.09,1.9,;-7.62,3.37,;-6.11,3.69,;-5.64,5.15,;-6.67,6.3,;-4.13,5.47,;-3.1,4.33,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1CN1CCCC1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-5,-.22,;-6.47,-.7,;-6.47,-2.24,;-5,-2.72,;-4.1,-1.47,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cc(ccn1)C(F)(F)F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-5.56,2.39,;-7.06,2.06,;-8.09,3.21,;-7.62,4.67,;-6.11,4.99,;-7.54,.6,;-9.05,.28,;-6.51,-.54,;-8.02,-.86,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccnc1C(F)(F)F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.51,2.28,;-4.5,1.12,;-3.48,-.03,;-3.34,2.14,;-5.66,.11,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1c(C)ccnc1C |r,wU:20.26,(-3.78,-4.96,;-2.44,-5.73,;-1.11,-4.96,;-1.11,-3.42,;.23,-2.65,;.55,-1.14,;2.08,-.98,;2.7,-2.39,;4.21,-2.71,;4.84,-4.11,;6.37,-3.95,;6.69,-2.45,;8.09,-1.82,;5.35,-1.68,;1.56,-3.42,;1.56,-4.96,;.23,-5.73,;-.48,0,;-.01,1.47,;-1.04,2.61,;-2.55,2.29,;-3.02,.83,;-1.99,-.32,;-3.58,3.44,;-5.08,3.12,;-6.11,4.26,;-5.64,5.73,;-7.62,3.94,;-8.09,2.48,;-7.06,1.33,;-5.56,1.65,;-4.53,.51,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-7.54,.6,;-9.05,.28,;-6.51,-.54,;-8.02,-.86,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(n1)C(F)(F)F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-7.54,.6,;-9.05,.28,;-6.51,-.54,;-8.02,-.86,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cc(Cl)cnc1C#N |r,wU:20.26,(-3.5,-4.64,;-2.16,-5.41,;-.83,-4.64,;-.83,-3.1,;.5,-2.33,;.82,-.82,;2.35,-.66,;2.98,-2.07,;4.49,-2.39,;5.11,-3.79,;6.65,-3.63,;6.97,-2.13,;8.37,-1.5,;5.63,-1.36,;1.84,-3.1,;1.84,-4.64,;.5,-5.41,;-.21,.32,;.27,1.79,;-.76,2.93,;-2.27,2.61,;-2.74,1.15,;-1.71,0,;-3.3,3.76,;-4.81,3.44,;-5.84,4.58,;-7.34,4.26,;-8.37,5.41,;-7.82,2.8,;-6.79,1.65,;-5.24,1.87,;-4.22,.71,;-3.21,-.45,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nc(C)ncc1OC |r,wU:20.26,(-3.5,-4.64,;-2.16,-5.41,;-.83,-4.64,;-.83,-3.1,;.5,-2.33,;.82,-.82,;2.35,-.66,;2.98,-2.07,;4.49,-2.39,;5.11,-3.79,;6.65,-3.63,;6.97,-2.13,;8.37,-1.5,;5.63,-1.36,;1.84,-3.1,;1.84,-4.64,;.5,-5.41,;-.21,.32,;.27,1.79,;-.76,2.93,;-2.27,2.61,;-2.74,1.15,;-1.71,0,;-3.3,3.76,;-4.81,3.44,;-5.84,4.58,;-7.34,4.26,;-8.37,5.41,;-7.82,2.8,;-6.79,1.65,;-5.28,1.97,;-4.25,.83,;-4.73,-.64,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(nc1)C(F)(F)F |r,wU:20.26,(-3.02,-4.22,;-1.69,-4.99,;-.35,-4.22,;-.35,-2.68,;.98,-1.91,;1.3,-.41,;2.83,-.25,;3.46,-1.65,;4.96,-1.97,;5.59,-3.38,;7.12,-3.22,;7.44,-1.71,;8.85,-1.09,;6.11,-.94,;2.31,-2.68,;2.31,-4.22,;.98,-4.99,;.27,.74,;.74,2.2,;-.29,3.35,;-1.79,3.03,;-2.27,1.56,;-1.24,.42,;-2.82,4.17,;-4.33,3.85,;-5.36,4.99,;-6.87,4.67,;-7.34,3.21,;-6.31,2.06,;-4.81,2.39,;-8.85,2.89,;-9.88,4.03,;-9.32,1.42,;-10.35,2.57,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccn1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,)|
CCNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C1CC1 |r,wD:25.31,(5.86,1.38,;4.52,.61,;4.52,-.93,;3.19,-1.7,;1.85,-.93,;.52,-1.7,;-.94,-1.22,;-1.85,-2.47,;-.94,-3.71,;-1.42,-5.18,;-.51,-6.42,;-1.42,-7.67,;-2.88,-7.19,;-2.88,-5.65,;-4.13,-8.1,;-5.04,-6.85,;-3.22,-9.34,;-5.38,-9,;-6.62,-9.91,;.52,-3.24,;1.85,-4.01,;3.19,-3.24,;-1.42,.24,;-2.93,.56,;-3.4,2.03,;-2.37,3.17,;-.86,2.85,;-.39,1.39,;-2.85,4.64,;-1.82,5.78,;-.31,5.46,;.72,6.61,;.24,8.07,;-1.26,8.39,;-2.29,7.25,;-3.8,7.57,;-5.26,7.09,;-4.94,8.6,)|
CCNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C(C)C |r,wD:25.31,(5.95,1.39,;4.62,.62,;4.62,-.92,;3.28,-1.69,;1.95,-.92,;.62,-1.69,;-.85,-1.22,;-1.75,-2.46,;-.85,-3.71,;-1.32,-5.17,;-.42,-6.42,;-1.32,-7.66,;-2.79,-7.19,;-2.79,-5.65,;-4.04,-8.09,;-4.94,-6.85,;-3.13,-9.34,;-5.28,-9,;-6.53,-9.9,;.62,-3.23,;1.95,-4,;3.28,-3.23,;-1.32,.25,;-2.83,.57,;-3.31,2.03,;-2.28,3.18,;-.77,2.86,;-.29,1.39,;-2.75,4.64,;-1.72,5.79,;-.22,5.47,;.81,6.61,;.34,8.08,;-1.17,8.4,;-2.2,7.25,;-3.7,7.57,;-4.18,9.04,;-4.73,6.43,)|
CCNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1nccnc1C |r,wD:25.31,(5.98,1.79,;4.65,1.02,;4.65,-.52,;3.32,-1.29,;1.98,-.52,;.65,-1.29,;-.82,-.81,;-1.72,-2.06,;-.82,-3.31,;-1.29,-4.77,;-.39,-6.02,;-1.29,-7.26,;-2.76,-6.79,;-2.76,-5.25,;-4,-7.69,;-4.91,-6.44,;-3.1,-8.94,;-5.25,-8.6,;-6.49,-9.5,;.65,-2.83,;1.98,-3.6,;3.32,-2.83,;-1.29,.65,;-2.8,.97,;-3.27,2.44,;-2.24,3.58,;-.74,3.26,;-.26,1.8,;-2.72,5.05,;-1.69,6.19,;-.18,5.87,;.85,7.01,;.37,8.48,;-1.13,8.8,;-2.17,7.65,;-3.67,7.97,)|
CCNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1CC |r,wD:25.31,(5.93,1.53,;4.6,.76,;4.6,-.78,;3.26,-1.55,;1.93,-.78,;.6,-1.55,;-.87,-1.08,;-1.77,-2.32,;-.87,-3.57,;-1.34,-5.03,;-.44,-6.28,;-1.34,-7.52,;-2.81,-7.05,;-2.81,-5.51,;-4.05,-7.95,;-4.96,-6.71,;-3.15,-9.2,;-5.3,-8.86,;-6.55,-9.76,;.6,-3.09,;1.93,-3.86,;3.26,-3.09,;-1.34,.39,;-2.85,.71,;-3.33,2.17,;-2.29,3.32,;-.79,3,;-.31,1.53,;-2.77,4.78,;-1.74,5.93,;-.23,5.61,;.8,6.75,;.32,8.22,;-1.19,8.54,;-2.22,7.39,;-3.72,7.71,;-4.2,9.18,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1F |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C(F)(F)F |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.47,2.35,;-4.42,1.22,;-3.38,.09,;-5.55,.17,;-3.29,2.26,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C1CC1 |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-4.21,-.27,;-3.06,.76,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1CN(C)C |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-4.93,-.25,;-3.84,-1.34,;-6.41,-.65,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C#N |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.47,2.35,;-4.42,1.22,;-3.38,.09,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccnc1C |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccnc1CC |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-4.93,-.25,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnn1 |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C(C)C |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-4.93,-.25,;-3.04,.84,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1CC |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-4.93,-.25,)|
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CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1Br)C(F)(F)F |r,wU:21.27,(-4.76,-4.99,;-3.43,-4.22,;-2.09,-4.99,;-.76,-4.22,;-.76,-2.68,;.57,-1.91,;.89,-.41,;2.43,-.25,;3.05,-1.65,;4.56,-1.97,;5.7,-.94,;7.04,-1.71,;6.72,-3.22,;7.75,-4.36,;5.18,-3.38,;1.91,-2.68,;1.91,-4.22,;.57,-4.99,;-.14,.74,;.34,2.2,;-.69,3.35,;-2.2,3.03,;-2.67,1.56,;-1.64,.42,;-3.23,4.17,;-4.73,3.85,;-5.76,4.99,;-7.27,4.67,;-7.75,3.21,;-6.72,2.06,;-5.21,2.38,;-4.18,1.24,;-7.19,.6,;-8.7,.28,;-6.16,-.54,;-7.67,-.86,)|
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CCNc1cc2n(nc(-c3cnn(CC(CO)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C(F)(F)F |r,wU:26.32,(-7.01,-4.99,;-5.68,-4.22,;-4.35,-4.99,;-3.01,-4.22,;-3.01,-2.68,;-1.68,-1.91,;-1.36,-.41,;.17,-.25,;.8,-1.65,;2.3,-1.97,;2.93,-3.38,;4.46,-3.22,;4.78,-1.71,;6.25,-1.24,;7.39,-2.27,;8.86,-1.79,;10,-2.82,;7.07,-3.77,;8.16,-4.86,;3.45,-.94,;-.35,-2.68,;-.35,-4.22,;-1.68,-4.99,;-2.39,.74,;-1.91,2.2,;-2.94,3.35,;-4.45,3.03,;-4.93,1.56,;-3.9,.42,;-5.48,4.17,;-6.99,3.85,;-8.02,4.99,;-9.52,4.67,;-10,3.21,;-8.97,2.06,;-7.37,2.35,;-6.33,1.22,;-5.28,.09,;-7.46,.17,;-5.2,2.26,)|
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CCNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C(F)(F)F |r,wU:25.31,(-6.44,-4.99,;-5.11,-4.22,;-3.78,-4.99,;-2.44,-4.22,;-2.44,-2.68,;-1.11,-1.91,;-.79,-.41,;.74,-.25,;1.37,-1.65,;2.88,-1.97,;3.5,-3.38,;5.03,-3.22,;5.35,-1.71,;4.02,-.94,;6.76,-1.09,;8.09,-1.86,;9.43,-1.09,;6.76,.45,;8.09,1.22,;.23,-2.68,;.23,-4.22,;-1.11,-4.99,;-1.82,.74,;-1.34,2.2,;-2.37,3.35,;-3.88,3.03,;-4.36,1.56,;-3.32,.42,;-4.91,4.17,;-6.42,3.85,;-7.45,4.99,;-8.95,4.67,;-9.43,3.21,;-8.4,2.06,;-6.8,2.35,;-5.76,1.22,;-4.71,.09,;-6.89,.17,;-4.63,2.26,)|
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CNc1cc2n(nc(-c3ccc(CN4CCN(C)CC4)cc3)c2cn1)C1CC[C@@H](CC1)Oc1cnn(C)c1C(F)(F)F |r,wU:28.35,(-6.07,-4.17,;-4.73,-4.94,;-3.4,-4.17,;-3.4,-2.63,;-2.06,-1.86,;-1.74,-.35,;-.21,-.19,;.41,-1.6,;1.92,-1.92,;2.4,-3.38,;3.9,-3.7,;4.93,-2.56,;6.44,-2.88,;7.47,-1.73,;8.98,-2.05,;10.01,-.91,;9.53,.56,;10.56,1.7,;8.02,.88,;6.99,-.27,;4.46,-1.09,;2.95,-.77,;-.73,-2.63,;-.73,-4.17,;-2.06,-4.94,;-2.77,.79,;-2.3,2.26,;-3.33,3.4,;-4.84,3.08,;-5.31,1.62,;-4.28,.47,;-5.87,4.23,;-7.37,3.91,;-8.52,4.94,;-9.85,4.17,;-9.53,2.66,;-10.56,1.52,;-7.99,2.41,;-7.24,1.06,;-6.49,-.28,;-5.89,1.81,;-8.58,.31,)|
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CNc1cc2n(nc(-c3ccc4C(=O)NCc4c3)c2cn1)C1CC[C@@H](CC1)Oc1cnn(C)c1C(F)(F)F |r,wU:24.31,(-4.62,-4.12,;-3.29,-4.89,;-1.95,-4.12,;-1.95,-2.58,;-.62,-1.81,;-.3,-.3,;1.23,-.14,;1.86,-1.55,;3.36,-1.87,;4.39,-.72,;5.9,-1.04,;6.38,-2.51,;7.78,-3.13,;9.12,-2.36,;7.62,-4.67,;6.12,-4.99,;5.35,-3.65,;3.84,-3.33,;.71,-2.58,;.71,-4.12,;-.62,-4.89,;-1.33,.84,;-.86,2.31,;-1.89,3.45,;-3.39,3.13,;-3.87,1.67,;-2.84,.52,;-4.42,4.28,;-5.93,3.96,;-7.07,4.99,;-8.41,4.22,;-8.09,2.71,;-9.12,1.57,;-6.54,2.46,;-5.8,1.11,;-5.05,-.23,;-4.45,1.86,;-7.14,.36,)|
CNc1cc2n(nc(-c3ccc4C(=O)N(C)Cc4c3)c2cn1)C1CC[C@@H](CC1)Oc1cnn(C)c1C(F)(F)F |r,wU:25.32,(-4.62,-3.76,;-3.29,-4.53,;-1.95,-3.76,;-1.95,-2.22,;-.62,-1.45,;-.3,.05,;1.23,.21,;1.86,-1.19,;3.36,-1.51,;4.39,-.37,;5.9,-.69,;6.38,-2.15,;7.78,-2.78,;9.12,-2.01,;7.62,-4.31,;8.77,-5.34,;6.12,-4.63,;5.35,-3.3,;3.84,-2.98,;.71,-2.22,;.71,-3.76,;-.62,-4.53,;-1.33,1.2,;-.86,2.66,;-1.89,3.81,;-3.39,3.49,;-3.87,2.02,;-2.84,.88,;-4.42,4.63,;-5.93,4.31,;-7.07,5.34,;-8.41,4.57,;-8.09,3.07,;-9.12,1.92,;-6.54,2.81,;-5.79,1.47,;-5.04,.12,;-4.45,2.22,;-7.14,.72,)|
CCNc1cc2n(nc(-c3cnc(C)nc3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:22.28,(-4.09,-2.68,;-4.09,-4.22,;-2.76,-4.99,;-1.43,-4.22,;-1.43,-2.68,;-.09,-1.91,;.23,-.41,;1.76,-.25,;2.39,-1.65,;3.89,-1.97,;4.37,-3.44,;5.88,-3.76,;6.91,-2.61,;8.41,-2.93,;6.43,-1.15,;4.92,-.83,;1.24,-2.68,;1.24,-4.22,;-.09,-4.99,;-.8,.74,;-.33,2.2,;-1.36,3.35,;-2.86,3.03,;-3.34,1.56,;-2.31,.42,;-3.89,4.17,;-5.4,3.85,;-6.43,4.99,;-7.94,4.67,;-8.41,3.21,;-7.38,2.06,;-5.88,2.39,;-4.84,1.24,;-7.86,.6,;-9.36,.28,;-6.83,-.54,;-8.33,-.86,)|
CCNc1cc2n(nc(-c3cnc(OC)nc3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:23.29,(-4.33,-2.68,;-4.33,-4.22,;-3,-4.99,;-1.66,-4.22,;-1.66,-2.68,;-.33,-1.91,;-.01,-.41,;1.52,-.25,;2.15,-1.65,;3.66,-1.97,;4.13,-3.44,;5.64,-3.76,;6.67,-2.61,;8.17,-2.93,;8.65,-4.4,;6.19,-1.15,;4.69,-.83,;1,-2.68,;1,-4.22,;-.33,-4.99,;-1.04,.74,;-.56,2.2,;-1.59,3.35,;-3.1,3.03,;-3.58,1.56,;-2.55,.42,;-4.13,4.17,;-5.64,3.85,;-6.67,4.99,;-8.17,4.67,;-8.65,3.21,;-7.62,2.06,;-6.11,2.39,;-5.08,1.24,;-8.1,.6,;-9.6,.28,;-7.07,-.54,;-8.57,-.86,)|
CCNc1cc2n(nc(-c3cncc(F)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:22.28,(-3.34,-2.57,;-3.34,-4.11,;-2.01,-4.88,;-.67,-4.11,;-.67,-2.57,;.66,-1.8,;.98,-.29,;2.51,-.13,;3.14,-1.54,;4.65,-1.86,;5.68,-.71,;7.18,-1.04,;7.66,-2.5,;6.63,-3.64,;7.1,-5.11,;5.12,-3.32,;2,-2.57,;2,-4.11,;.66,-4.88,;-.05,.85,;.43,2.32,;-.6,3.46,;-2.11,3.14,;-2.59,1.68,;-1.55,.53,;-3.14,4.28,;-4.65,3.96,;-5.68,5.11,;-7.18,4.79,;-7.66,3.32,;-6.63,2.18,;-5.12,2.5,;-4.09,1.36,;-7.1,.71,;-8.61,.39,;-6.07,-.43,;-7.58,-.75,)|
CCNc1cc2n(nc(-c3cnn(CC(C)(C)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:26.32,(-4.56,-2.68,;-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;7.31,-1.09,;7.47,.44,;8.88,1.07,;7.63,1.98,;6.23,1.35,;6.39,2.88,;4.57,-.94,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-6.34,2.39,;-5.31,1.24,;-8.32,.6,;-9.83,.28,;-7.29,-.54,;-8.8,-.86,)|
CCNc1cc2n(nc(-c3cnn(c3)C3CC[C@H](O)CC3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:27.34,wD:17.18,(-5.89,-2.68,;-5.89,-4.22,;-4.55,-4.99,;-3.22,-4.22,;-3.22,-2.68,;-1.88,-1.91,;-1.56,-.41,;-.03,-.25,;.59,-1.65,;2.1,-1.97,;2.73,-3.38,;4.26,-3.22,;4.58,-1.71,;3.24,-.94,;5.98,-1.09,;6.15,.44,;7.55,1.07,;8.8,.17,;10.21,.79,;8.64,-1.37,;7.23,-1.99,;-.55,-2.68,;-.55,-4.22,;-1.88,-4.99,;-2.6,.74,;-2.12,2.2,;-3.15,3.35,;-4.66,3.03,;-5.13,1.56,;-4.1,.42,;-5.69,4.17,;-7.19,3.85,;-8.22,4.99,;-9.73,4.67,;-10.21,3.21,;-9.17,2.07,;-7.67,2.39,;-6.64,1.24,;-9.65,.6,;-11.16,.28,;-8.62,-.54,;-10.13,-.86,)|
CCNc1cc2n(nc(-c3ccc(=O)n(CC(F)(F)F)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:27.33,(-4.57,-1.66,;-4.57,-3.2,;-3.23,-3.97,;-1.9,-3.2,;-1.9,-1.66,;-.57,-.89,;-.25,.62,;1.28,.78,;1.91,-.63,;3.42,-.95,;4.45,.2,;5.95,-.12,;6.43,-1.59,;7.94,-1.91,;5.4,-2.73,;5.88,-4.2,;7.38,-4.52,;8.89,-4.84,;7.06,-6.02,;7.7,-3.01,;3.89,-2.41,;.77,-1.66,;.77,-3.2,;-.57,-3.97,;-1.28,1.76,;-.8,3.23,;-1.83,4.37,;-3.34,4.05,;-3.81,2.59,;-2.78,1.44,;-4.37,5.2,;-5.88,4.88,;-6.91,6.02,;-8.41,5.7,;-8.89,4.24,;-7.86,3.09,;-6.35,3.41,;-5.32,2.27,;-8.33,1.63,;-9.84,1.31,;-7.3,.48,;-8.81,.16,)|
CCNc1cc2n(nc(-c3cnc(nc3)C#N)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:23.29,(-4.85,-2.68,;-4.85,-4.22,;-3.51,-4.99,;-2.18,-4.22,;-2.18,-2.68,;-.84,-1.91,;-.52,-.41,;1.01,-.25,;1.63,-1.65,;3.14,-1.97,;3.62,-3.44,;5.12,-3.76,;6.21,-2.63,;5.68,-1.15,;4.17,-.83,;7.71,-2.95,;9.22,-3.27,;.49,-2.68,;.49,-4.22,;-.84,-4.99,;-1.55,.74,;-1.08,2.2,;-2.11,3.35,;-3.62,3.03,;-4.09,1.56,;-3.06,.42,;-4.65,4.17,;-6.15,3.85,;-7.18,4.99,;-8.69,4.67,;-9.17,3.21,;-8.13,2.06,;-6.63,2.39,;-5.6,1.24,;-8.61,.6,;-10.12,.28,;-7.58,-.54,;-9.09,-.86,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)[C@@H]1CC[C@@H](CC1)Oc1cccnc1CO |r,wD:17.19,20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-1.99,.42,;-3.02,1.56,;-2.55,3.03,;-1.04,3.35,;-.01,2.2,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-5,-.22,)|
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CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccnc1C(=O)N(C)C |r,wU:20.26,(-3.38,-4.48,;-2.04,-5.25,;-.71,-4.48,;-.71,-2.94,;.62,-2.17,;.94,-.66,;2.48,-.5,;3.1,-1.91,;4.61,-2.23,;5.75,-1.2,;7.09,-1.97,;6.77,-3.47,;7.8,-4.62,;5.24,-3.64,;1.96,-2.94,;1.96,-4.48,;.62,-5.25,;-.09,.48,;.39,1.95,;-.64,3.09,;-2.15,2.77,;-2.62,1.31,;-1.59,.16,;-3.18,3.92,;-4.72,3.92,;-5.49,5.25,;-7.03,5.25,;-7.8,3.92,;-7.03,2.58,;-5.49,2.58,;-4.72,1.25,;-3.18,1.25,;-5.49,-.09,;-7.03,-.09,;-4.72,-1.42,)|
CNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1cnn(C)c1 |r,wD:24.30,(6.24,-.79,;4.9,-.02,;3.57,-.79,;2.24,-.02,;.9,-.79,;-.56,-.32,;-1.47,-1.56,;-.56,-2.81,;-1.04,-4.27,;-.13,-5.52,;-1.04,-6.76,;-2.5,-6.29,;-2.5,-4.75,;-3.75,-7.19,;-4.65,-5.95,;-2.84,-8.44,;-4.99,-8.1,;-6.24,-9,;.9,-2.33,;2.24,-3.1,;3.57,-2.33,;-1.04,1.15,;-2.54,1.47,;-3.02,2.93,;-1.99,4.08,;-.48,3.76,;-.01,2.29,;-2.47,5.54,;-1.44,6.69,;-1.76,8.19,;-.42,8.96,;.72,7.93,;2.23,8.25,;.1,6.53,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cn(C)nc1C(F)(F)F |r,wU:21.27,(-4.67,-4.94,;-3.34,-4.17,;-2.01,-4.94,;-.67,-4.17,;-.67,-2.63,;.66,-1.86,;.98,-.35,;2.51,-.19,;3.14,-1.6,;4.65,-1.92,;5.27,-3.32,;6.8,-3.16,;7.12,-1.66,;8.53,-1.03,;5.79,-.89,;2,-2.63,;2,-4.17,;.66,-4.94,;-.05,.79,;.43,2.26,;-.6,3.4,;-2.11,3.08,;-2.59,1.62,;-1.55,.47,;-3.14,4.23,;-4.65,3.91,;-5.79,4.94,;-7.12,4.17,;-8.53,4.79,;-6.8,2.66,;-5.26,2.41,;-4.51,1.06,;-3.76,-.28,;-3.17,1.81,;-5.86,.31,)|
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CCNc1cc2n(nc(-c3cnn(c3)C(C)(C)CO)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:25.31,(-4.48,-2.68,;-4.48,-4.22,;-3.15,-4.99,;-1.81,-4.22,;-1.81,-2.68,;-.48,-1.91,;-.16,-.41,;1.37,-.25,;2,-1.65,;3.51,-1.97,;4.13,-3.38,;5.66,-3.22,;5.98,-1.71,;4.65,-.94,;7.39,-1.09,;7.55,.44,;8.8,-.46,;8.64,-1.99,;8.48,-3.52,;.86,-2.68,;.86,-4.22,;-.48,-4.99,;-1.19,.74,;-.71,2.2,;-1.74,3.35,;-3.25,3.03,;-3.72,1.56,;-2.69,.42,;-4.28,4.17,;-5.79,3.85,;-6.82,4.99,;-8.32,4.67,;-8.8,3.21,;-7.77,2.06,;-6.26,2.39,;-5.23,1.24,;-8.24,.6,;-9.75,.28,;-7.21,-.54,;-8.72,-.86,)|
CCNc1cc2n(nc(-c3cnn(CC(C)(C)O)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:25.31,(-5.1,-2.68,;-5.1,-4.22,;-3.77,-4.99,;-2.43,-4.22,;-2.43,-2.68,;-1.1,-1.91,;-.78,-.41,;.75,-.25,;1.38,-1.65,;2.88,-1.97,;3.51,-3.38,;5.04,-3.22,;5.36,-1.71,;6.77,-1.09,;8.01,-1.99,;9.42,-1.37,;8.18,-.46,;7.85,-3.52,;4.03,-.94,;.23,-2.68,;.23,-4.22,;-1.1,-4.99,;-1.81,.74,;-1.34,2.2,;-2.37,3.35,;-3.87,3.03,;-4.35,1.56,;-3.32,.42,;-4.9,4.17,;-6.41,3.85,;-7.44,4.99,;-8.95,4.67,;-9.42,3.21,;-8.39,2.06,;-6.88,2.39,;-5.85,1.24,;-8.87,.6,;-10.37,.28,;-7.84,-.54,;-9.34,-.86,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(OC)n1 |r,wU:20.26,(-2.74,-4.64,;-1.41,-5.41,;-.08,-4.64,;-.08,-3.1,;1.26,-2.33,;1.58,-.82,;3.11,-.66,;3.73,-2.07,;5.24,-2.39,;5.87,-3.79,;7.4,-3.63,;7.72,-2.13,;9.13,-1.5,;6.38,-1.36,;2.59,-3.1,;2.59,-4.64,;1.26,-5.41,;.55,.32,;1.02,1.79,;-.01,2.93,;-1.52,2.61,;-1.99,1.15,;-.96,0,;-2.55,3.76,;-4.05,3.44,;-4.53,1.97,;-6.03,1.65,;-7.06,2.8,;-6.59,4.26,;-7.62,5.41,;-9.13,5.09,;-5.08,4.58,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(OCC(F)(F)F)n1 |r,wU:20.26,(-2.51,-4.64,;-1.17,-5.41,;.16,-4.64,;.16,-3.1,;1.49,-2.33,;1.81,-.82,;3.35,-.66,;3.97,-2.07,;5.48,-2.39,;6.1,-3.79,;7.64,-3.63,;7.96,-2.13,;9.36,-1.5,;6.62,-1.36,;2.83,-3.1,;2.83,-4.64,;1.49,-5.41,;.78,.32,;1.26,1.79,;.23,2.93,;-1.28,2.61,;-1.75,1.15,;-.72,0,;-2.31,3.76,;-3.81,3.44,;-4.29,1.97,;-5.8,1.65,;-6.83,2.8,;-6.35,4.26,;-7.38,5.41,;-8.89,5.09,;-9.36,3.62,;-10.87,3.3,;-8.33,2.48,;-9.84,2.16,;-4.84,4.58,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2cn(C)nc2C(F)(F)F)c2cc(Nc3ccccc3)ncc12 |r,wU:12.16,(8.53,-1.03,;7.12,-1.66,;5.79,-.89,;4.65,-1.92,;5.27,-3.32,;6.8,-3.16,;3.14,-1.6,;2.51,-.19,;.98,-.35,;-.05,.79,;.43,2.26,;-.6,3.4,;-2.11,3.08,;-2.59,1.62,;-1.55,.47,;-3.14,4.23,;-4.65,3.91,;-5.79,4.94,;-7.12,4.17,;-8.53,4.79,;-6.8,2.66,;-5.26,2.41,;-4.51,1.06,;-3.76,-.28,;-3.17,1.81,;-5.86,.31,;.66,-1.86,;-.67,-2.63,;-.67,-4.17,;-2.01,-4.94,;-3.34,-4.17,;-3.34,-2.63,;-4.67,-1.86,;-6.01,-2.63,;-6.01,-4.17,;-4.67,-4.94,;.66,-4.94,;2,-4.17,;2,-2.63,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2cccnc2C(F)(F)F)c2cc(Nc3ccccc3)ncc12 |r,wU:12.16,(8.09,-1.09,;6.69,-1.71,;5.35,-.94,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;2.7,-1.65,;2.08,-.25,;.55,-.41,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.52,2.34,;-4.49,1.2,;-3.46,.06,;-3.35,2.23,;-5.64,.17,;.23,-1.91,;-1.11,-2.68,;-1.11,-4.22,;-2.44,-4.99,;-3.78,-4.22,;-3.78,-2.68,;-5.11,-1.91,;-6.44,-2.68,;-6.44,-4.22,;-5.11,-4.99,;.23,-4.99,;1.56,-4.22,;1.56,-2.68,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2nccc(c2F)C(F)(F)F)c2cc(Nc3ccccc3)ncc12 |r,wU:12.16,(8.09,-1.09,;6.69,-1.71,;5.35,-.94,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;2.7,-1.65,;2.08,-.25,;.55,-.41,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-7.54,.6,;-9.05,.28,;-6.51,-.54,;-8.02,-.86,;.23,-1.91,;-1.11,-2.68,;-1.11,-4.22,;-2.44,-4.99,;-3.78,-4.22,;-5.11,-4.99,;-6.44,-4.22,;-6.44,-2.68,;-5.11,-1.91,;-3.78,-2.68,;.23,-4.99,;1.56,-4.22,;1.56,-2.68,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ncccc2C(F)(F)F)c2cc(Nc3ccccc3)ncc12 |r,wU:12.16,(8.09,-1.09,;6.69,-1.71,;5.35,-.94,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;2.7,-1.65,;2.08,-.25,;.55,-.41,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.47,2.35,;-4.42,1.22,;-3.38,.09,;-5.55,.17,;-3.29,2.26,;.23,-1.91,;-1.11,-2.68,;-1.11,-4.22,;-2.44,-4.99,;-3.78,-4.22,;-5.11,-4.99,;-6.44,-4.22,;-6.44,-2.68,;-5.11,-1.91,;-3.78,-2.68,;.23,-4.99,;1.56,-4.22,;1.56,-2.68,)|
CNc1cc2n(cc(-c3ccn(C)n3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-7.54,.6,;-9.05,.28,;-6.51,-.54,;-8.02,-.86,)|
CCNc1cc2n(nc(-c3cnc(C)o3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:21.27,(-4.76,-4.99,;-3.43,-4.22,;-2.09,-4.99,;-.76,-4.22,;-.76,-2.68,;.57,-1.91,;.89,-.41,;2.43,-.25,;3.05,-1.65,;4.56,-1.97,;5.7,-.94,;7.04,-1.71,;6.72,-3.22,;7.75,-4.36,;5.18,-3.38,;1.91,-2.68,;1.91,-4.22,;.57,-4.99,;-.14,.74,;.34,2.2,;-.69,3.35,;-2.2,3.03,;-2.67,1.56,;-1.64,.42,;-3.23,4.17,;-4.73,3.85,;-5.76,4.99,;-7.27,4.67,;-7.75,3.21,;-6.72,2.06,;-5.21,2.39,;-4.18,1.24,;-7.19,.6,;-8.7,.28,;-6.16,-.54,;-7.67,-.86,)|
CCNc1cc2n(nc(-c3cc(C)no3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;5.35,-.94,;6.69,-1.71,;8.09,-1.09,;6.37,-3.22,;4.84,-3.38,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-7.54,.6,;-9.05,.28,;-6.51,-.54,;-8.02,-.86,)|
CCNc1cc2n(nc(-c3ncco3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:20.26,(-4.41,-4.99,;-3.07,-4.22,;-1.74,-4.99,;-.4,-4.22,;-.4,-2.68,;.93,-1.91,;1.25,-.41,;2.78,-.25,;3.41,-1.65,;4.91,-1.97,;6.06,-.94,;7.39,-1.71,;7.07,-3.22,;5.54,-3.38,;2.26,-2.68,;2.26,-4.22,;.93,-4.99,;.22,.74,;.69,2.2,;-.34,3.35,;-1.84,3.03,;-2.32,1.56,;-1.29,.42,;-2.87,4.17,;-4.38,3.85,;-5.41,4.99,;-6.92,4.67,;-7.39,3.21,;-6.36,2.06,;-4.85,2.39,;-3.82,1.24,;-6.84,.6,;-8.34,.28,;-5.81,-.54,;-7.31,-.86,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1c[nH]nc1C(F)(F)F |r,wU:21.27,(-5.38,-4.94,;-4.04,-4.17,;-2.71,-4.94,;-1.38,-4.17,;-1.38,-2.63,;-.04,-1.86,;.28,-.35,;1.81,-.19,;2.44,-1.6,;3.94,-1.92,;4.57,-3.32,;6.1,-3.16,;6.42,-1.66,;7.83,-1.03,;5.09,-.89,;1.29,-2.63,;1.29,-4.17,;-.04,-4.94,;-.75,.79,;-.28,2.26,;-1.31,3.4,;-2.81,3.08,;-3.29,1.62,;-2.26,.47,;-3.84,4.23,;-5.35,3.91,;-6.49,4.94,;-7.83,4.17,;-7.51,2.66,;-5.97,2.41,;-5.22,1.06,;-4.47,-.28,;-6.56,.31,;-3.87,1.81,)|
CCNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1cn[nH]c1C(F)(F)F |r,wD:25.31,(5.65,1.37,;4.32,.6,;4.32,-.94,;2.99,-1.71,;1.65,-.94,;.32,-1.71,;-1.15,-1.24,;-2.05,-2.48,;-1.15,-3.73,;-1.62,-5.19,;-.72,-6.44,;-1.62,-7.69,;-3.09,-7.21,;-3.09,-5.67,;-4.33,-8.12,;-5.24,-6.87,;-3.43,-9.36,;-5.58,-9.02,;-6.82,-9.93,;.32,-3.25,;1.65,-4.02,;2.99,-3.25,;-1.62,.23,;-3.13,.55,;-3.6,2.01,;-2.57,3.16,;-1.07,2.84,;-.59,1.37,;-3.05,4.62,;-2.02,5.77,;-.49,5.6,;.14,7.01,;-1,8.04,;-2.34,7.27,;-3.75,7.9,;-5.15,8.52,;-3.12,9.3,;-4.37,6.49,)|
CCNc1cc2n(nc(C3CCN(C)CC3)c2cn1)C1CC[C@@H](CC1)Oc1cn[nH]c1C(F)(F)F |r,wU:22.28,(-5.69,-4.94,;-4.36,-4.17,;-3.03,-4.94,;-1.69,-4.17,;-1.69,-2.63,;-.36,-1.86,;-.04,-.35,;1.49,-.19,;2.12,-1.6,;3.63,-1.92,;4.1,-3.38,;5.61,-3.7,;6.64,-2.56,;8.14,-2.88,;6.16,-1.09,;4.66,-.77,;.97,-2.63,;.97,-4.17,;-.36,-4.94,;-1.07,.79,;-.59,2.26,;-1.62,3.4,;-3.13,3.08,;-3.61,1.62,;-2.58,.47,;-4.16,4.23,;-5.67,3.91,;-6.81,4.94,;-8.14,4.17,;-7.82,2.66,;-6.28,2.41,;-5.53,1.06,;-4.78,-.28,;-6.88,.31,;-4.19,1.81,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cc(CO)nn1C |r,wU:21.27,(-4.04,-4.94,;-2.71,-4.17,;-1.38,-4.94,;-.04,-4.17,;-.04,-2.63,;1.29,-1.86,;1.61,-.35,;3.14,-.19,;3.77,-1.6,;5.28,-1.92,;5.9,-3.32,;7.43,-3.16,;7.75,-1.66,;9.16,-1.03,;6.42,-.89,;2.63,-2.63,;2.63,-4.17,;1.29,-4.94,;.58,.79,;1.06,2.26,;.03,3.4,;-1.48,3.08,;-1.96,1.62,;-.92,.47,;-2.51,4.23,;-4.02,3.91,;-5.16,4.94,;-6.49,4.17,;-7.83,4.94,;-9.16,4.17,;-6.17,2.66,;-4.64,2.5,;-3.87,1.17,)|
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CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1 |r,wU:20.26,(-3.02,-4.22,;-1.69,-4.99,;-.35,-4.22,;-.35,-2.68,;.98,-1.91,;1.3,-.41,;2.83,-.25,;3.46,-1.65,;4.96,-1.97,;5.59,-3.38,;7.12,-3.22,;7.44,-1.71,;8.85,-1.09,;6.11,-.94,;2.31,-2.68,;2.31,-4.22,;.98,-4.99,;.27,.74,;.74,2.2,;-.29,3.35,;-1.79,3.03,;-2.27,1.56,;-1.24,.42,;-2.82,4.17,;-4.33,3.85,;-5.36,4.99,;-6.87,4.67,;-7.34,3.21,;-8.85,2.89,;-6.31,2.06,;-4.81,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1c(F)cccc1F |r,wU:20.26,(-3.78,-4.96,;-2.44,-5.73,;-1.11,-4.96,;-1.11,-3.42,;.23,-2.65,;.55,-1.14,;2.08,-.98,;2.7,-2.39,;4.21,-2.71,;4.84,-4.11,;6.37,-3.95,;6.69,-2.45,;8.09,-1.82,;5.35,-1.68,;1.56,-3.42,;1.56,-4.96,;.23,-5.73,;-.48,0,;-.01,1.47,;-1.04,2.61,;-2.55,2.29,;-3.02,.83,;-1.99,-.32,;-3.58,3.44,;-5.08,3.12,;-6.11,4.26,;-5.64,5.73,;-7.62,3.94,;-8.09,2.48,;-7.06,1.33,;-5.56,1.65,;-4.53,.51,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1F |r,wU:20.26,(-3.02,-4.22,;-1.69,-4.99,;-.35,-4.22,;-.35,-2.68,;.98,-1.91,;1.3,-.41,;2.83,-.25,;3.46,-1.65,;4.96,-1.97,;5.59,-3.38,;7.12,-3.22,;7.44,-1.71,;8.85,-1.09,;6.11,-.94,;2.31,-2.68,;2.31,-4.22,;.98,-4.99,;.27,.74,;.74,2.2,;-.29,3.35,;-1.79,3.03,;-2.27,1.56,;-1.24,.42,;-2.82,4.17,;-4.33,3.85,;-5.36,4.99,;-6.87,4.67,;-7.34,3.21,;-8.85,2.89,;-6.31,2.06,;-4.81,2.39,;-3.77,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cc(F)cc(F)c1 |r,wU:20.26,(-3.5,-4.64,;-2.16,-5.41,;-.83,-4.64,;-.83,-3.1,;.5,-2.33,;.82,-.82,;2.35,-.66,;2.98,-2.07,;4.49,-2.39,;5.11,-3.79,;6.65,-3.63,;6.97,-2.13,;8.37,-1.5,;5.63,-1.36,;1.84,-3.1,;1.84,-4.64,;.5,-5.41,;-.21,.32,;.27,1.79,;-.76,2.93,;-2.27,2.61,;-2.74,1.15,;-1.71,0,;-3.3,3.76,;-4.81,3.44,;-5.28,1.97,;-6.79,1.65,;-7.26,.19,;-7.82,2.8,;-7.34,4.26,;-8.37,5.41,;-5.84,4.58,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1Cl |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(Cl)c1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cc(F)ccc1F |r,wU:20.26,(-3.5,-4.64,;-2.16,-5.41,;-.83,-4.64,;-.83,-3.1,;.5,-2.33,;.82,-.82,;2.35,-.66,;2.98,-2.07,;4.49,-2.39,;5.11,-3.79,;6.65,-3.63,;6.97,-2.13,;8.37,-1.5,;5.63,-1.36,;1.84,-3.1,;1.84,-4.64,;.5,-5.41,;-.21,.32,;.27,1.79,;-.76,2.93,;-2.27,2.61,;-2.74,1.15,;-1.71,0,;-3.3,3.76,;-4.81,3.44,;-5.84,4.58,;-7.34,4.26,;-8.37,5.41,;-7.82,2.8,;-6.79,1.65,;-5.28,1.97,;-4.25,.83,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1C#N |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.47,2.35,;-4.42,1.22,;-3.38,.09,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1)C#N |r,wU:20.26,(-2.27,-4.22,;-.94,-4.99,;.4,-4.22,;.4,-2.68,;1.73,-1.91,;2.05,-.41,;3.58,-.25,;4.21,-1.65,;5.72,-1.97,;6.34,-3.38,;7.87,-3.22,;8.19,-1.71,;9.6,-1.09,;6.86,-.94,;3.07,-2.68,;3.07,-4.22,;1.73,-4.99,;1.02,.74,;1.5,2.2,;.47,3.35,;-1.04,3.03,;-1.52,1.56,;-.48,.42,;-2.07,4.17,;-3.58,3.85,;-4.05,2.39,;-5.56,2.06,;-6.64,3.2,;-6.11,4.67,;-4.61,4.99,;-8.15,2.88,;-9.66,2.56,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1C |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C)c1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(C)cc1 |r,wU:20.26,(-3.02,-4.22,;-1.69,-4.99,;-.35,-4.22,;-.35,-2.68,;.98,-1.91,;1.3,-.41,;2.83,-.25,;3.46,-1.65,;4.96,-1.97,;5.59,-3.38,;7.12,-3.22,;7.44,-1.71,;8.85,-1.09,;6.11,-.94,;2.31,-2.68,;2.31,-4.22,;.98,-4.99,;.27,.74,;.74,2.2,;-.29,3.35,;-1.79,3.03,;-2.27,1.56,;-1.24,.42,;-2.82,4.17,;-4.33,3.85,;-5.36,4.99,;-6.87,4.67,;-7.34,3.21,;-8.85,2.89,;-6.31,2.06,;-4.81,2.39,)|
CNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1 |r,wD:24.30,(5.92,-1.09,;4.59,-.32,;3.26,-1.09,;1.92,-.32,;.59,-1.09,;-.88,-.61,;-1.78,-1.86,;-.88,-3.1,;-1.35,-4.57,;-.45,-5.81,;-1.35,-7.06,;-2.82,-6.58,;-2.82,-5.04,;-4.06,-7.49,;-4.97,-6.24,;-3.16,-8.73,;-5.31,-8.39,;-6.55,-9.3,;.59,-2.63,;1.92,-3.4,;3.26,-2.63,;-1.35,.85,;-2.86,1.18,;-3.33,2.64,;-2.3,3.78,;-.8,3.46,;-.32,2,;-2.78,5.25,;-1.75,6.39,;-.24,6.07,;.79,7.22,;.31,8.68,;-1.19,9,;-1.67,10.47,;-2.22,7.86,)|
CNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1F |r,wD:24.30,(5.86,-1.28,;4.53,-.51,;3.2,-1.28,;1.86,-.51,;.53,-1.28,;-.93,-.8,;-1.84,-2.05,;-.93,-3.29,;-1.41,-4.76,;-.51,-6,;-1.41,-7.25,;-2.88,-6.77,;-2.88,-5.23,;-4.12,-7.68,;-5.03,-6.43,;-3.22,-8.93,;-5.37,-8.59,;-6.61,-9.49,;.53,-2.82,;1.86,-3.59,;3.2,-2.82,;-1.41,.66,;-2.92,.98,;-3.39,2.45,;-2.36,3.59,;-.86,3.27,;-.38,1.81,;-2.84,5.06,;-1.81,6.2,;-.3,5.88,;.73,7.02,;.25,8.49,;-1.25,8.81,;-1.73,10.27,;-2.28,7.67,;-3.79,7.99,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1CN(C)C |r,wU:20.26,(-3.02,-4.22,;-1.69,-4.99,;-.35,-4.22,;-.35,-2.68,;.98,-1.91,;1.3,-.41,;2.83,-.25,;3.46,-1.65,;4.96,-1.97,;5.59,-3.38,;7.12,-3.22,;7.44,-1.71,;8.85,-1.09,;6.11,-.94,;2.31,-2.68,;2.31,-4.22,;.98,-4.99,;.27,.74,;.74,2.2,;-.29,3.35,;-1.79,3.03,;-2.27,1.56,;-1.24,.42,;-2.82,4.17,;-4.33,3.85,;-5.36,4.99,;-6.87,4.67,;-7.34,3.21,;-8.85,2.89,;-6.31,2.06,;-4.81,2.39,;-3.77,1.24,;-4.25,-.22,;-5.76,-.54,;-3.22,-1.37,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(c1)S(C)(=O)=O |r,wU:21.27,(-4.63,-4.99,;-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-5.08,2.39,;-7.06,.6,;-8.57,.28,;-6.03,-.54,;-5.58,1,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1F |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1S(C)(=O)=O |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-5,-.22,;-3.04,.84,;-3.76,2.57,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1S(C)(=O)=O |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,;-5,-.22,;-3.04,.84,;-3.76,2.57,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc2ncccc12 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-6.51,-.54,;-5,-.22,;-4.53,1.24,;-5.56,2.39,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(c1)C#N |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.12,1.99,;-5.56,2.39,;-7.62,.53,;-8.11,-.93,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)OC |r,wU:20.26,(-2.51,-4.22,;-1.17,-4.99,;.16,-4.22,;.16,-2.68,;1.49,-1.91,;1.81,-.41,;3.35,-.25,;3.97,-1.65,;5.48,-1.97,;6.1,-3.38,;7.64,-3.22,;7.96,-1.71,;9.36,-1.09,;6.62,-.94,;2.83,-2.68,;2.83,-4.22,;1.49,-4.99,;.78,.74,;1.26,2.2,;.23,3.35,;-1.28,3.03,;-1.75,1.56,;-.72,.42,;-2.31,4.17,;-3.81,3.85,;-4.29,2.39,;-5.8,2.06,;-6.83,3.21,;-6.35,4.67,;-4.84,4.99,;-8.33,2.89,;-9.36,4.03,;-8.81,1.42,;-7.78,.28,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(c1)C(=O)OC |r,wU:20.26,(-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-5.08,2.39,;-7.06,.6,;-8.57,.28,;-6.03,-.54,;-4.53,-.22,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc2cccnc2c1 |r,wU:20.26,(-2.78,-4.22,;-1.45,-4.99,;-.12,-4.22,;-.12,-2.68,;1.22,-1.91,;1.54,-.41,;3.07,-.25,;3.69,-1.65,;5.2,-1.97,;5.83,-3.38,;7.36,-3.22,;7.68,-1.71,;9.09,-1.09,;6.35,-.94,;2.55,-2.68,;2.55,-4.22,;1.22,-4.99,;.51,.74,;.98,2.2,;-.05,3.35,;-1.55,3.03,;-2.03,1.56,;-1,.42,;-2.58,4.17,;-4.09,3.85,;-5.12,4.99,;-6.63,4.67,;-7.1,3.21,;-8.61,2.89,;-9.09,1.42,;-8.06,.28,;-6.55,.6,;-6.07,2.06,;-4.57,2.39,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C#N)c1C |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.12,1.99,;-7.62,.53,;-8.11,-.93,;-5.56,2.39,;-4.53,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc2c1ccn(C)c2=O |r,wU:20.26,(-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-5.08,2.39,;-4.05,1.24,;-4.53,-.22,;-6.03,-.54,;-6.51,-2.01,;-7.06,.6,;-8.57,.28,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc2ncc(F)cc12 |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-6.51,-.54,;-5,-.22,;-3.97,-1.37,;-4.53,1.24,;-5.56,2.39,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc2[nH]ncc2c1 |r,wU:21.27,(-4.41,-4.99,;-3.07,-4.22,;-1.74,-4.99,;-.4,-4.22,;-.4,-2.68,;.93,-1.91,;1.25,-.41,;2.78,-.25,;3.41,-1.65,;4.91,-1.97,;5.54,-3.38,;7.07,-3.22,;7.39,-1.71,;8.8,-1.09,;6.06,-.94,;2.26,-2.68,;2.26,-4.22,;.93,-4.99,;.22,.74,;.69,2.2,;-.34,3.35,;-1.84,3.03,;-2.32,1.56,;-1.29,.42,;-2.87,4.17,;-4.38,3.85,;-5.41,4.99,;-6.92,4.67,;-7.39,3.21,;-8.8,2.58,;-8.64,1.05,;-7.13,.73,;-6.36,2.06,;-4.85,2.39,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1F)C(=O)OC |r,wU:21.27,(-3.83,-4.99,;-2.49,-4.22,;-1.16,-4.99,;.18,-4.22,;.18,-2.68,;1.51,-1.91,;1.83,-.41,;3.36,-.25,;3.99,-1.65,;5.49,-1.97,;6.12,-3.38,;7.65,-3.22,;7.97,-1.71,;9.38,-1.09,;6.64,-.94,;2.84,-2.68,;2.84,-4.22,;1.51,-4.99,;.8,.74,;1.27,2.2,;.24,3.35,;-1.26,3.03,;-1.74,1.56,;-.71,.42,;-2.29,4.17,;-3.8,3.85,;-4.83,4.99,;-6.34,4.67,;-6.81,3.21,;-5.78,2.06,;-4.28,2.39,;-3.24,1.24,;-8.32,2.89,;-9.38,4.01,;-8.72,1.4,;-7.63,.31,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C(=O)OC)c1C |r,wU:21.27,(-4.63,-4.99,;-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-7.06,.6,;-8.57,.28,;-6.03,-.54,;-6.51,-2.01,;-5.08,2.39,;-4.05,1.24,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc2[nH]ncc2c1C |r,wU:21.27,(-4.41,-4.99,;-3.07,-4.22,;-1.74,-4.99,;-.4,-4.22,;-.4,-2.68,;.93,-1.91,;1.25,-.41,;2.78,-.25,;3.41,-1.65,;4.91,-1.97,;5.54,-3.38,;7.07,-3.22,;7.39,-1.71,;8.8,-1.09,;6.06,-.94,;2.26,-2.68,;2.26,-4.22,;.93,-4.99,;.22,.74,;.69,2.2,;-.34,3.35,;-1.84,3.03,;-2.32,1.56,;-1.29,.42,;-2.87,4.17,;-4.38,3.85,;-5.41,4.99,;-6.92,4.67,;-7.39,3.21,;-8.8,2.58,;-8.64,1.05,;-7.13,.73,;-6.36,2.06,;-4.85,2.39,;-3.82,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C(=O)OC)c1C |r,wU:20.26,(-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-7.06,.6,;-8.57,.28,;-6.03,-.54,;-6.51,-2.01,;-5.08,2.39,;-4.05,1.24,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc2n(C)c(=O)ccc2c1 |r,wU:21.27,(-3.36,-4.99,;-2.03,-4.22,;-.7,-4.99,;.64,-4.22,;.64,-2.68,;1.97,-1.91,;2.29,-.41,;3.82,-.25,;4.45,-1.65,;5.95,-1.97,;6.58,-3.38,;8.11,-3.22,;8.43,-1.71,;9.84,-1.09,;7.1,-.94,;3.3,-2.68,;3.3,-4.22,;1.97,-4.99,;1.26,.74,;1.74,2.2,;.71,3.35,;-.8,3.03,;-1.28,1.56,;-.25,.42,;-1.83,4.17,;-3.34,3.85,;-4.37,4.99,;-5.87,4.67,;-6.35,3.21,;-7.86,2.89,;-8.89,4.03,;-8.33,1.42,;-9.84,1.1,;-7.3,.28,;-5.8,.6,;-5.32,2.06,;-3.81,2.39,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cc2cn[nH]c2cc1C |r,wU:21.27,(-4.1,-5.29,;-2.77,-4.52,;-1.43,-5.29,;-.1,-4.52,;-.1,-2.98,;1.23,-2.21,;1.55,-.7,;3.09,-.54,;3.71,-1.95,;5.22,-2.27,;5.84,-3.67,;7.38,-3.51,;7.7,-2.01,;9.1,-1.38,;6.36,-1.24,;2.57,-2.98,;2.57,-4.52,;1.23,-5.29,;.52,.44,;1,1.91,;-.03,3.05,;-1.54,2.73,;-2.01,1.27,;-.98,.12,;-2.57,3.88,;-4.07,3.56,;-5.1,4.7,;-6.61,4.38,;-7.86,5.29,;-9.1,4.38,;-8.63,2.92,;-7.09,2.92,;-6.06,1.77,;-4.55,2.09,;-3.52,.95,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1C(F)(F)F)C(=O)NC |r,wU:21.27,(-3.83,-4.99,;-2.49,-4.22,;-1.16,-4.99,;.18,-4.22,;.18,-2.68,;1.51,-1.91,;1.83,-.41,;3.36,-.25,;3.99,-1.65,;5.49,-1.97,;6.12,-3.38,;7.65,-3.22,;7.97,-1.71,;9.38,-1.09,;6.64,-.94,;2.84,-2.68,;2.84,-4.22,;1.51,-4.99,;.8,.74,;1.27,2.2,;.24,3.35,;-1.26,3.03,;-1.74,1.56,;-.71,.42,;-2.29,4.17,;-3.8,3.85,;-4.83,4.99,;-6.34,4.67,;-6.81,3.21,;-5.78,2.06,;-4.19,2.35,;-3.14,1.22,;-2.09,.09,;-4.27,.17,;-2.01,2.26,;-8.32,2.89,;-9.38,4.01,;-8.72,1.4,;-7.63,.31,)|
CNC(=O)c1ccc(O[C@H]2CCC(CC2)n2nc(-c3cnn(C)c3)c3cnc(NC)cc23)c(c1)C(F)(F)F |r,wU:9.8,(-7.64,.31,;-8.73,1.4,;-8.33,2.89,;-9.36,4.03,;-6.83,3.21,;-6.35,4.67,;-4.84,4.99,;-3.81,3.85,;-2.31,4.17,;-1.28,3.03,;.23,3.35,;1.26,2.2,;.78,.74,;-.72,.42,;-1.75,1.56,;1.81,-.41,;3.35,-.25,;3.97,-1.65,;5.48,-1.97,;6.1,-3.38,;7.64,-3.22,;7.96,-1.71,;9.36,-1.09,;6.62,-.94,;2.83,-2.68,;2.83,-4.22,;1.49,-4.99,;.16,-4.22,;-1.17,-4.99,;-2.51,-4.22,;.16,-2.68,;1.49,-1.91,;-4.2,2.35,;-5.8,2.06,;-3.15,1.22,;-2.11,.09,;-4.28,.17,;-2.02,2.26,)|
CNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wD:24.30,(6.04,-.91,;4.71,-.14,;3.37,-.91,;2.04,-.14,;.71,-.91,;-.76,-.44,;-1.66,-1.68,;-.76,-2.93,;-1.23,-4.39,;-.33,-5.64,;-1.23,-6.88,;-2.7,-6.41,;-2.7,-4.87,;-3.95,-7.31,;-4.85,-6.07,;-3.04,-8.56,;-5.19,-8.22,;-6.44,-9.12,;.71,-2.45,;2.04,-3.22,;3.37,-2.45,;-1.23,1.03,;-2.74,1.35,;-3.22,2.81,;-2.19,3.96,;-.68,3.64,;-.2,2.17,;-2.66,5.42,;-1.63,6.57,;-2.11,8.03,;-1.08,9.18,;.43,8.86,;.9,7.39,;-.13,6.25,;.35,4.78,)|
CNc1cc2n(nc(-c3cnn(c3)C(C)(C)CO)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:24.30,(-4.52,-4.22,;-3.19,-4.99,;-1.85,-4.22,;-1.85,-2.68,;-.52,-1.91,;-.2,-.41,;1.33,-.25,;1.96,-1.65,;3.47,-1.97,;4.09,-3.38,;5.62,-3.22,;5.94,-1.71,;4.61,-.94,;7.35,-1.09,;8.84,-.69,;7.35,.45,;8.44,-2.18,;8.44,-3.72,;.82,-2.68,;.82,-4.22,;-.52,-4.99,;-1.23,.74,;-.75,2.2,;-1.78,3.35,;-3.29,3.03,;-3.77,1.56,;-2.73,.42,;-4.32,4.17,;-5.83,3.85,;-6.86,4.99,;-8.36,4.67,;-8.84,3.21,;-7.81,2.06,;-6.3,2.39,;-5.27,1.24,)|
CNc1cc2n(nc(-c3cnn(CC(C)(C)O)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:24.30,(-5.1,-4.22,;-3.77,-4.99,;-2.43,-4.22,;-2.43,-2.68,;-1.1,-1.91,;-.78,-.41,;.75,-.25,;1.38,-1.65,;2.88,-1.97,;3.51,-3.38,;5.04,-3.22,;5.36,-1.71,;6.77,-1.09,;8.01,-1.99,;9.42,-1.37,;8.18,-.46,;7.85,-3.52,;4.03,-.94,;.23,-2.68,;.23,-4.22,;-1.1,-4.99,;-1.81,.74,;-1.34,2.2,;-2.37,3.35,;-3.87,3.03,;-4.35,1.56,;-3.32,.42,;-4.9,4.17,;-6.41,3.85,;-7.44,4.99,;-8.95,4.67,;-9.42,3.21,;-8.39,2.06,;-6.88,2.39,;-5.85,1.24,)|
CNc1cc2n(nc(-c3cnn(CCN4CCOCC4)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:27.34,(-4.94,-3.43,;-3.61,-4.2,;-2.27,-3.43,;-2.27,-1.89,;-.94,-1.12,;-.62,.39,;.91,.55,;1.54,-.86,;3.04,-1.18,;3.67,-2.58,;5.2,-2.42,;5.52,-.92,;6.93,-.29,;8.18,-1.2,;8.01,-2.73,;6.61,-3.35,;6.45,-4.89,;7.69,-5.79,;9.1,-5.16,;9.26,-3.63,;4.19,-.15,;.39,-1.89,;.39,-3.43,;-.94,-4.2,;-1.65,1.53,;-1.17,3,;-2.2,4.14,;-3.71,3.82,;-4.19,2.36,;-3.16,1.21,;-4.74,4.97,;-6.25,4.65,;-7.28,5.79,;-8.78,5.47,;-9.26,4.01,;-8.23,2.86,;-6.72,3.18,;-5.69,2.04,)|
CCNc1cc2n(nc(-c3ccn(C)c(=O)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:23.29,(-5.43,-4.88,;-4.09,-4.11,;-2.76,-4.88,;-1.43,-4.11,;-1.43,-2.57,;-.09,-1.8,;.23,-.29,;1.76,-.13,;2.39,-1.54,;3.89,-1.86,;4.92,-.71,;6.43,-1.04,;6.91,-2.5,;8.41,-2.82,;5.88,-3.64,;6.35,-5.11,;4.37,-3.32,;1.24,-2.57,;1.24,-4.11,;-.09,-4.88,;-.8,.85,;-.33,2.32,;-1.36,3.46,;-2.86,3.14,;-3.34,1.68,;-2.31,.53,;-3.89,4.28,;-5.4,3.96,;-6.43,5.11,;-7.94,4.79,;-8.41,3.32,;-7.38,2.18,;-5.88,2.5,;-4.84,1.36,)|
CNc1cc2n(nc(-c3cnn(c3)C3CCNC[C@@H]3F)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:26.33,18.20,(-4.7,-3.23,;-3.36,-4,;-2.03,-3.23,;-2.03,-1.69,;-.69,-.92,;-.37,.58,;1.16,.74,;1.78,-.66,;3.29,-.98,;4.43,.05,;5.77,-.72,;5.45,-2.23,;3.92,-2.39,;6.48,-3.37,;6,-4.84,;7.03,-5.98,;8.54,-5.66,;9.02,-4.2,;7.98,-3.05,;8.46,-1.59,;.64,-1.69,;.64,-3.23,;-.69,-4,;-1.4,1.73,;-.93,3.19,;-1.96,4.34,;-3.47,4.02,;-3.94,2.55,;-2.91,1.41,;-4.5,5.16,;-6,4.84,;-7.03,5.98,;-8.54,5.66,;-9.02,4.2,;-7.98,3.05,;-6.48,3.37,;-5.45,2.23,)|
CCNc1cc2n(nc(-c3cnn(c3)C(C)(C)C#N)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wD:25.31,(5.89,2.71,;4.56,1.94,;4.56,.4,;3.22,-.37,;1.89,.4,;.56,-.37,;-.91,.1,;-1.81,-1.14,;-.91,-2.39,;-1.38,-3.86,;-2.85,-4.33,;-2.85,-5.87,;-1.38,-6.35,;-.48,-5.1,;-.91,-7.81,;-2.37,-8.29,;.56,-7.34,;-.43,-9.28,;.04,-10.74,;.56,-1.91,;1.89,-2.68,;3.22,-1.91,;-1.38,1.57,;-2.89,1.89,;-3.37,3.35,;-2.34,4.5,;-.83,4.17,;-.35,2.71,;-2.81,5.96,;-1.78,7.1,;-.27,6.78,;.76,7.93,;.28,9.39,;-1.23,9.71,;-2.26,8.57,;-3.76,8.89,)|
CCNc1cc2n(nc(-c3cn[nH]c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:20.26,(-4.41,-4.99,;-3.07,-4.22,;-1.74,-4.99,;-.4,-4.22,;-.4,-2.68,;.93,-1.91,;1.25,-.41,;2.78,-.25,;3.41,-1.65,;4.91,-1.97,;6.06,-.94,;7.39,-1.71,;7.07,-3.22,;5.54,-3.38,;2.26,-2.68,;2.26,-4.22,;.93,-4.99,;.22,.74,;.69,2.2,;-.34,3.35,;-1.84,3.03,;-2.32,1.56,;-1.29,.42,;-2.87,4.17,;-4.38,3.85,;-5.41,4.99,;-6.92,4.67,;-7.39,3.21,;-6.36,2.06,;-4.85,2.39,;-3.82,1.24,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ccccc2F)c2cc(NCCC3CC3)ncc12 |r,wU:12.16,(7.75,-4.36,;6.72,-3.22,;5.18,-3.38,;4.56,-1.97,;5.7,-.94,;7.04,-1.71,;3.05,-1.65,;2.43,-.25,;.89,-.41,;-.14,.74,;.34,2.2,;-.69,3.35,;-2.2,3.03,;-2.67,1.56,;-1.64,.42,;-3.23,4.17,;-4.73,3.85,;-5.76,4.99,;-7.27,4.67,;-7.75,3.21,;-6.72,2.06,;-5.21,2.39,;-4.18,1.24,;.57,-1.91,;-.76,-2.68,;-.76,-4.22,;-2.09,-4.99,;-3.43,-4.22,;-4.76,-4.99,;-6.09,-4.22,;-6.86,-2.89,;-7.63,-4.22,;.57,-4.99,;1.91,-4.22,;1.91,-2.68,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ccccc2F)c2cc(NCC(F)(F)F)ncc12 |r,wU:12.16,(7.75,-4.36,;6.72,-3.22,;5.18,-3.38,;4.56,-1.97,;5.7,-.94,;7.04,-1.71,;3.05,-1.65,;2.43,-.25,;.89,-.41,;-.14,.74,;.34,2.2,;-.69,3.35,;-2.2,3.03,;-2.67,1.56,;-1.64,.42,;-3.23,4.17,;-4.73,3.85,;-5.76,4.99,;-7.27,4.67,;-7.75,3.21,;-6.72,2.06,;-5.21,2.39,;-4.18,1.24,;.57,-1.91,;-.76,-2.68,;-.76,-4.22,;-2.09,-4.99,;-3.43,-4.22,;-4.76,-4.99,;-6.09,-4.22,;-4.76,-6.53,;-6.09,-5.76,;.57,-4.99,;1.91,-4.22,;1.91,-2.68,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ccccc2F)c2cc(NCCCF)ncc12 |r,wU:12.16,(7.75,-4.36,;6.72,-3.22,;5.18,-3.38,;4.56,-1.97,;5.7,-.94,;7.04,-1.71,;3.05,-1.65,;2.43,-.25,;.89,-.41,;-.14,.74,;.34,2.2,;-.69,3.35,;-2.2,3.03,;-2.67,1.56,;-1.64,.42,;-3.23,4.17,;-4.73,3.85,;-5.76,4.99,;-7.27,4.67,;-7.75,3.21,;-6.72,2.06,;-5.21,2.39,;-4.18,1.24,;.57,-1.91,;-.76,-2.68,;-.76,-4.22,;-2.09,-4.99,;-3.43,-4.22,;-4.76,-4.99,;-6.09,-4.22,;-7.43,-4.99,;.57,-4.99,;1.91,-4.22,;1.91,-2.68,)|
CCCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:22.28,(-6.09,-4.22,;-4.76,-4.99,;-3.43,-4.22,;-2.09,-4.99,;-.76,-4.22,;-.76,-2.68,;.57,-1.91,;.89,-.41,;2.43,-.25,;3.05,-1.65,;4.56,-1.97,;5.7,-.94,;7.04,-1.71,;6.72,-3.22,;7.75,-4.36,;5.18,-3.38,;1.91,-2.68,;1.91,-4.22,;.57,-4.99,;-.14,.74,;.34,2.2,;-.69,3.35,;-2.2,3.03,;-2.67,1.56,;-1.64,.42,;-3.23,4.17,;-4.73,3.85,;-5.76,4.99,;-7.27,4.67,;-7.75,3.21,;-6.72,2.06,;-5.21,2.39,;-4.18,1.24,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2ccccc2F)c2cc(NCCCCF)ncc12 |r,wU:12.16,(8.25,-4.36,;7.22,-3.22,;5.69,-3.38,;5.07,-1.97,;6.21,-.94,;7.54,-1.71,;3.56,-1.65,;2.93,-.25,;1.4,-.41,;.37,.74,;.85,2.2,;-.18,3.35,;-1.69,3.03,;-2.17,1.56,;-1.14,.42,;-2.72,4.17,;-4.23,3.85,;-5.26,4.99,;-6.76,4.67,;-7.24,3.21,;-6.21,2.06,;-4.7,2.39,;-3.67,1.24,;1.08,-1.91,;-.25,-2.68,;-.25,-4.22,;-1.59,-4.99,;-2.92,-4.22,;-4.25,-4.99,;-5.59,-4.22,;-6.92,-4.99,;-8.25,-4.22,;1.08,-4.99,;2.42,-4.22,;2.42,-2.68,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1 |r,wD:21.27,(-4.76,-4.99,;-3.43,-4.22,;-2.09,-4.99,;-.76,-4.22,;-.76,-2.68,;.57,-1.91,;.89,-.41,;2.43,-.25,;3.05,-1.65,;4.56,-1.97,;5.7,-.94,;7.04,-1.71,;6.72,-3.22,;7.75,-4.36,;5.18,-3.38,;1.91,-2.68,;1.91,-4.22,;.57,-4.99,;-.14,.74,;-1.64,.42,;-2.67,1.56,;-2.2,3.03,;-.69,3.35,;.34,2.2,;-3.23,4.17,;-4.73,3.85,;-5.76,4.99,;-7.27,4.67,;-7.75,3.21,;-6.72,2.06,;-5.21,2.39,)|
CNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:24.30,(-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;4.57,-.94,;7.31,-1.09,;8.56,-1.99,;8.4,-3.52,;7.47,.44,;8.88,1.07,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-6.34,2.39,;-5.31,1.24,)|
CNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1 |r,wU:24.30,(-4.7,-4.22,;-3.36,-4.99,;-2.03,-4.22,;-2.03,-2.68,;-.7,-1.91,;-.38,-.41,;1.16,-.25,;1.78,-1.65,;3.29,-1.97,;3.92,-3.38,;5.45,-3.22,;5.77,-1.71,;4.43,-.94,;7.23,-1.24,;8.38,-2.27,;8.06,-3.77,;7.55,.27,;9.02,.74,;.64,-2.68,;.64,-4.22,;-.7,-4.99,;-1.41,.74,;-.93,2.2,;-1.96,3.35,;-3.47,3.03,;-3.94,1.56,;-2.91,.42,;-4.5,4.17,;-6,3.85,;-7.03,4.99,;-8.54,4.67,;-9.02,3.21,;-7.99,2.06,;-8.46,.6,;-6.48,2.39,)|
CNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1 |r,wU:24.30,(-3.94,-4.22,;-2.61,-4.99,;-1.28,-4.22,;-1.28,-2.68,;.06,-1.91,;.38,-.41,;1.91,-.25,;2.54,-1.65,;4.04,-1.97,;4.67,-3.38,;6.2,-3.22,;6.52,-1.71,;5.19,-.94,;7.98,-1.24,;9.13,-2.27,;8.81,-3.77,;8.3,.27,;9.77,.74,;1.39,-2.68,;1.39,-4.22,;.06,-4.99,;-.65,.74,;-.18,2.2,;-1.21,3.35,;-2.71,3.03,;-3.19,1.56,;-2.16,.42,;-3.74,4.17,;-5.25,3.85,;-6.28,4.99,;-7.79,4.67,;-8.26,3.21,;-9.77,2.89,;-7.23,2.06,;-5.73,2.39,)|
CCNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:25.31,(-6.03,-4.99,;-4.7,-4.22,;-3.36,-4.99,;-2.03,-4.22,;-2.03,-2.68,;-.7,-1.91,;-.38,-.41,;1.16,-.25,;1.78,-1.65,;3.29,-1.97,;3.92,-3.38,;5.45,-3.22,;5.77,-1.71,;4.43,-.94,;7.23,-1.24,;8.38,-2.27,;8.06,-3.77,;7.55,.27,;9.02,.74,;.64,-2.68,;.64,-4.22,;-.7,-4.99,;-1.41,.74,;-.93,2.2,;-1.96,3.35,;-3.47,3.03,;-3.94,1.56,;-2.91,.42,;-4.5,4.17,;-6,3.85,;-7.03,4.99,;-8.54,4.67,;-9.02,3.21,;-7.99,2.06,;-6.48,2.39,;-5.45,1.24,)|
CCNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1 |r,wU:25.31,(-6.03,-4.99,;-4.7,-4.22,;-3.36,-4.99,;-2.03,-4.22,;-2.03,-2.68,;-.7,-1.91,;-.38,-.41,;1.16,-.25,;1.78,-1.65,;3.29,-1.97,;3.92,-3.38,;5.45,-3.22,;5.77,-1.71,;4.43,-.94,;7.23,-1.24,;8.38,-2.27,;8.06,-3.77,;7.55,.27,;9.02,.74,;.64,-2.68,;.64,-4.22,;-.7,-4.99,;-1.41,.74,;-.93,2.2,;-1.96,3.35,;-3.47,3.03,;-3.94,1.56,;-2.91,.42,;-4.5,4.17,;-6,3.85,;-7.03,4.99,;-8.54,4.67,;-9.02,3.21,;-7.99,2.06,;-8.46,.6,;-6.48,2.39,)|
CCNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1 |r,wU:25.31,(-5.28,-4.99,;-3.94,-4.22,;-2.61,-4.99,;-1.28,-4.22,;-1.28,-2.68,;.06,-1.91,;.38,-.41,;1.91,-.25,;2.54,-1.65,;4.04,-1.97,;4.67,-3.38,;6.2,-3.22,;6.52,-1.71,;5.19,-.94,;7.98,-1.24,;9.13,-2.27,;8.81,-3.77,;8.3,.27,;9.77,.74,;1.39,-2.68,;1.39,-4.22,;.06,-4.99,;-.65,.74,;-.18,2.2,;-1.21,3.35,;-2.71,3.03,;-3.19,1.56,;-2.16,.42,;-3.74,4.17,;-5.25,3.85,;-6.28,4.99,;-7.79,4.67,;-8.26,3.21,;-9.77,2.89,;-7.23,2.06,;-5.73,2.39,)|
CCNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1F |r,wU:25.31,(-5.28,-4.99,;-3.94,-4.22,;-2.61,-4.99,;-1.28,-4.22,;-1.28,-2.68,;.06,-1.91,;.38,-.41,;1.91,-.25,;2.54,-1.65,;4.04,-1.97,;4.67,-3.38,;6.2,-3.22,;6.52,-1.71,;5.19,-.94,;7.98,-1.24,;9.13,-2.27,;8.81,-3.77,;8.3,.27,;9.77,.74,;1.39,-2.68,;1.39,-4.22,;.06,-4.99,;-.65,.74,;-.18,2.2,;-1.21,3.35,;-2.71,3.03,;-3.19,1.56,;-2.16,.42,;-3.74,4.17,;-5.25,3.85,;-6.28,4.99,;-7.79,4.67,;-8.26,3.21,;-9.77,2.89,;-7.23,2.06,;-5.73,2.39,;-4.7,1.24,)|
CCNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1F |r,wU:25.31,(-6.03,-4.99,;-4.7,-4.22,;-3.36,-4.99,;-2.03,-4.22,;-2.03,-2.68,;-.7,-1.91,;-.38,-.41,;1.16,-.25,;1.78,-1.65,;3.29,-1.97,;3.92,-3.38,;5.45,-3.22,;5.77,-1.71,;4.43,-.94,;7.23,-1.24,;8.38,-2.27,;8.06,-3.77,;7.55,.27,;9.02,.74,;.64,-2.68,;.64,-4.22,;-.7,-4.99,;-1.41,.74,;-.93,2.2,;-1.96,3.35,;-3.47,3.03,;-3.94,1.56,;-2.91,.42,;-4.5,4.17,;-6,3.85,;-7.03,4.99,;-8.54,4.67,;-9.02,3.21,;-7.99,2.06,;-8.46,.6,;-6.48,2.39,;-5.45,1.24,)|
CCNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1cc(F)ccc1F |r,wU:25.31,(-5.75,-5.41,;-4.42,-4.64,;-3.09,-5.41,;-1.75,-4.64,;-1.75,-3.1,;-.42,-2.33,;-.1,-.82,;1.43,-.66,;2.06,-2.07,;3.57,-2.39,;4.19,-3.79,;5.72,-3.63,;6.04,-2.13,;4.71,-1.36,;7.51,-1.65,;8.65,-2.68,;8.33,-4.19,;7.83,-.14,;9.29,.33,;.92,-3.1,;.92,-4.64,;-.42,-5.41,;-1.13,.32,;-.65,1.79,;-1.68,2.93,;-3.19,2.61,;-3.67,1.15,;-2.63,0,;-4.22,3.76,;-5.73,3.44,;-6.76,4.58,;-8.26,4.26,;-9.29,5.41,;-8.74,2.8,;-7.71,1.65,;-6.2,1.97,;-5.17,.83,)|
CCNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1C(F)(F)F |r,wU:25.31,(-5.14,-4.99,;-3.81,-4.22,;-2.47,-4.99,;-1.14,-4.22,;-1.14,-2.68,;.19,-1.91,;.52,-.41,;2.05,-.25,;2.67,-1.65,;4.18,-1.97,;4.81,-3.38,;6.34,-3.22,;6.66,-1.71,;5.32,-.94,;8.06,-1.09,;8.23,.44,;9.63,1.07,;9.31,-1.99,;9.15,-3.52,;1.53,-2.68,;1.53,-4.22,;.19,-4.99,;-.52,.74,;-.04,2.2,;-1.07,3.35,;-2.58,3.03,;-3.05,1.56,;-2.02,.42,;-3.61,4.17,;-5.11,3.85,;-6.14,4.99,;-7.65,4.67,;-8.13,3.21,;-9.63,2.89,;-7.1,2.06,;-5.5,2.35,;-4.45,1.22,;-3.41,.09,;-5.58,.17,;-3.32,2.26,)|
CCNc1cc2n(nc(-c3cnn(c3)C(CO)CO)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)c(F)c1 |r,wU:25.31,(-5.14,-4.99,;-3.81,-4.22,;-2.47,-4.99,;-1.14,-4.22,;-1.14,-2.68,;.19,-1.91,;.52,-.41,;2.05,-.25,;2.67,-1.65,;4.18,-1.97,;4.81,-3.38,;6.34,-3.22,;6.66,-1.71,;5.32,-.94,;8.06,-1.09,;8.23,.44,;9.63,1.07,;9.31,-1.99,;9.15,-3.52,;1.53,-2.68,;1.53,-4.22,;.19,-4.99,;-.52,.74,;-.04,2.2,;-1.07,3.35,;-2.58,3.03,;-3.05,1.56,;-2.02,.42,;-3.61,4.17,;-5.11,3.85,;-6.14,4.99,;-7.65,4.67,;-8.13,3.21,;-9.63,2.89,;-7.1,2.06,;-7.57,.6,;-5.59,2.39,)|
CNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1C(F)(F)F |r,wU:24.30,13.13,(-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;7.31,-1.09,;7.47,.44,;6.44,1.59,;8.88,1.07,;8.72,2.6,;4.57,-.94,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-6.25,2.35,;-5.21,1.22,;-4.16,.09,;-6.34,.17,;-4.08,2.26,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:25.31,14.14,(-5.89,-4.99,;-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;7.31,-1.09,;7.47,.44,;6.44,1.59,;8.88,1.07,;8.72,2.6,;4.57,-.94,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-6.34,2.39,;-5.31,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1F)S(C)(=O)=O |r,wU:25.31,14.14,(-4.62,-4.99,;-3.29,-4.22,;-1.96,-4.99,;-.62,-4.22,;-.62,-2.68,;.71,-1.91,;1.03,-.41,;2.56,-.25,;3.19,-1.65,;4.69,-1.97,;5.32,-3.38,;6.85,-3.22,;7.17,-1.71,;8.58,-1.09,;8.74,.44,;7.71,1.59,;10.15,1.07,;9.99,2.6,;5.84,-.94,;2.04,-2.68,;2.04,-4.22,;.71,-4.99,;-0,.74,;.48,2.2,;-.55,3.35,;-2.06,3.03,;-2.54,1.56,;-1.51,.42,;-3.09,4.17,;-4.6,3.85,;-5.63,4.99,;-7.13,4.67,;-7.61,3.21,;-6.58,2.06,;-5.07,2.39,;-4.04,1.24,;-9.12,2.89,;-9.59,1.42,;-10.15,4.03,;-8.72,4.38,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(Cl)c1 |r,wU:25.31,14.14,(-5.89,-4.99,;-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;7.31,-1.09,;7.47,.44,;6.44,1.59,;8.88,1.07,;8.72,2.6,;4.57,-.94,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-8.32,.6,;-6.34,2.39,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1F |r,wU:25.31,14.14,(-5.14,-4.99,;-3.81,-4.22,;-2.47,-4.99,;-1.14,-4.22,;-1.14,-2.68,;.19,-1.91,;.52,-.41,;2.05,-.25,;2.67,-1.65,;4.18,-1.97,;4.81,-3.38,;6.34,-3.22,;6.66,-1.71,;8.06,-1.09,;8.23,.44,;7.19,1.59,;9.63,1.07,;9.47,2.6,;5.32,-.94,;1.53,-2.68,;1.53,-4.22,;.19,-4.99,;-.52,.74,;-.04,2.2,;-1.07,3.35,;-2.58,3.03,;-3.05,1.56,;-2.02,.42,;-3.61,4.17,;-5.11,3.85,;-6.14,4.99,;-7.65,4.67,;-8.13,3.21,;-9.63,2.89,;-7.1,2.06,;-5.59,2.39,;-4.56,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(OC)cc1F |r,wU:25.31,14.14,(-4.62,-4.99,;-3.29,-4.22,;-1.96,-4.99,;-.62,-4.22,;-.62,-2.68,;.71,-1.91,;1.03,-.41,;2.56,-.25,;3.19,-1.65,;4.69,-1.97,;5.32,-3.38,;6.85,-3.22,;7.17,-1.71,;8.58,-1.09,;8.74,.44,;7.71,1.59,;10.15,1.07,;9.99,2.6,;5.84,-.94,;2.04,-2.68,;2.04,-4.22,;.71,-4.99,;-0,.74,;.48,2.2,;-.55,3.35,;-2.06,3.03,;-2.54,1.56,;-1.51,.42,;-3.09,4.17,;-4.6,3.85,;-5.63,4.99,;-7.13,4.67,;-7.61,3.21,;-9.12,2.89,;-10.15,4.03,;-6.58,2.06,;-5.07,2.39,;-4.04,1.24,)|
CCNc1cc2n(nc(-c3cnn(c3)C3CCS(=O)(=O)C3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:27.34,(-6.42,-4.99,;-5.09,-4.22,;-3.75,-4.99,;-2.42,-4.22,;-2.42,-2.68,;-1.09,-1.91,;-.77,-.41,;.77,-.25,;1.39,-1.65,;2.9,-1.97,;3.53,-3.38,;5.06,-3.22,;5.38,-1.71,;4.04,-.94,;6.78,-1.09,;8.12,-1.86,;9.26,-.83,;8.64,.58,;7.87,1.91,;9.41,1.91,;7.1,.42,;.25,-2.68,;.25,-4.22,;-1.09,-4.99,;-1.8,.74,;-1.32,2.2,;-2.35,3.35,;-3.86,3.03,;-4.33,1.56,;-3.3,.42,;-4.89,4.17,;-6.39,3.85,;-7.42,4.99,;-8.93,4.67,;-9.41,3.21,;-8.38,2.06,;-6.87,2.39,;-5.84,1.24,)|
CCNc1cc2n(nc(-c3cnn(c3)C3CS(=O)(=O)C3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:26.33,(-6.77,-4.99,;-5.44,-4.22,;-4.1,-4.99,;-2.77,-4.22,;-2.77,-2.68,;-1.44,-1.91,;-1.12,-.41,;.42,-.25,;1.04,-1.65,;2.55,-1.97,;3.17,-3.38,;4.71,-3.22,;5.03,-1.71,;3.69,-.94,;6.43,-1.09,;7.87,-1.64,;8.42,-.2,;9.76,.57,;8.42,1.34,;6.99,.35,;-.1,-2.68,;-.1,-4.22,;-1.44,-4.99,;-2.15,.74,;-1.67,2.2,;-2.7,3.35,;-4.21,3.03,;-4.68,1.56,;-3.65,.42,;-5.24,4.17,;-6.74,3.85,;-7.77,4.99,;-9.28,4.67,;-9.76,3.21,;-8.73,2.06,;-7.22,2.39,;-6.19,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:25.31,wD:14.14,(-6.75,-4.95,;-5.42,-4.18,;-4.09,-4.95,;-2.75,-4.18,;-2.75,-2.64,;-1.42,-1.87,;-1.1,-.37,;.43,-.21,;1.06,-1.61,;2.57,-1.93,;3.71,-.9,;5.04,-1.67,;4.72,-3.18,;5.75,-4.32,;7.26,-4,;7.89,-2.6,;8.41,-5.03,;9.74,-4.26,;3.19,-3.34,;-.08,-2.64,;-.08,-4.18,;-1.42,-4.95,;-2.13,.78,;-1.65,2.24,;-2.68,3.39,;-4.19,3.07,;-4.67,1.6,;-3.63,.46,;-5.22,4.21,;-6.73,3.89,;-7.76,5.03,;-9.26,4.71,;-9.74,3.25,;-8.71,2.11,;-7.2,2.43,;-6.17,1.28,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(c1F)C(F)(F)F |r,wU:25.31,14.14,(-6.75,-4.95,;-5.42,-4.18,;-4.09,-4.95,;-2.75,-4.18,;-2.75,-2.64,;-1.42,-1.87,;-1.1,-.37,;.43,-.21,;1.06,-1.61,;2.57,-1.93,;3.71,-.9,;5.04,-1.67,;4.72,-3.18,;5.75,-4.32,;7.26,-4,;7.89,-2.6,;8.41,-5.03,;9.74,-4.26,;3.19,-3.34,;-.08,-2.64,;-.08,-4.18,;-1.42,-4.95,;-2.13,.78,;-1.65,2.24,;-2.68,3.39,;-4.19,3.07,;-4.67,1.6,;-3.63,.46,;-5.22,4.21,;-6.73,3.89,;-7.76,5.03,;-9.26,4.71,;-9.74,3.25,;-8.71,2.11,;-7.2,2.43,;-6.17,1.28,;-9.18,.64,;-10.69,.32,;-8.15,-.5,;-9.66,-.82,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1F |r,wU:25.31,14.14,(-5.89,-4.99,;-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;7.31,-1.09,;7.47,.44,;6.38,1.53,;8.88,1.07,;8.7,2.59,;4.57,-.94,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-8.32,.6,;-6.34,2.39,;-5.31,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@H](O)[C@H](C)O)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:26.32,14.14,wD:16.17,(-6.59,-4.87,;-5.26,-4.1,;-3.93,-4.87,;-2.59,-4.1,;-2.59,-2.56,;-1.26,-1.79,;-.94,-.28,;.59,-.12,;1.22,-1.53,;2.73,-1.85,;3.87,-.82,;5.2,-1.59,;4.88,-3.1,;5.91,-4.24,;7.42,-3.92,;8.39,-5.12,;8.05,-2.51,;7.14,-1.27,;9.58,-2.35,;3.35,-3.26,;.08,-2.56,;.08,-4.1,;-1.26,-4.87,;-1.97,.86,;-1.49,2.32,;-2.52,3.47,;-4.03,3.15,;-4.51,1.68,;-3.47,.54,;-5.06,4.29,;-6.57,3.97,;-7.6,5.12,;-9.1,4.8,;-9.58,3.33,;-8.55,2.19,;-7.04,2.51,;-6.01,1.36,)|
CCNc1cc2n(nc(-c3cnn(CC(C)(O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:26.32,(-6.57,-4.95,;-5.24,-4.18,;-3.9,-4.95,;-2.57,-4.18,;-2.57,-2.64,;-1.24,-1.87,;-.92,-.37,;.62,-.21,;1.24,-1.61,;2.75,-1.93,;3.89,-.9,;5.23,-1.67,;4.91,-3.18,;5.94,-4.32,;7.44,-4,;8.93,-3.61,;8.59,-5.03,;8.07,-2.6,;9.56,-2.2,;3.37,-3.34,;.1,-2.64,;.1,-4.18,;-1.24,-4.95,;-1.95,.78,;-1.47,2.24,;-2.5,3.39,;-4.01,3.07,;-4.48,1.6,;-3.45,.46,;-5.04,4.21,;-6.54,3.89,;-7.57,5.03,;-9.08,4.71,;-9.56,3.25,;-8.53,2.11,;-7.02,2.43,;-5.99,1.28,)|
CNc1cc2n(nc(-c3cnn(C[C@@H](N)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:24.30,13.13,(-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;7.31,-1.09,;7.47,.44,;6.44,1.59,;8.88,1.07,;8.72,2.6,;4.57,-.94,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-6.34,2.39,;-5.31,1.24,)|
CNc1cc2n(nc(-c3cnn(C[C@H](N)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:24.30,wD:13.13,(-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;7.31,-1.09,;7.47,.44,;6.44,1.59,;8.88,1.07,;8.72,2.6,;4.57,-.94,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-6.34,2.39,;-5.31,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:25.31,14.14,(-5.89,-4.99,;-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;7.31,-1.09,;7.47,.44,;6.38,1.53,;8.88,1.07,;8.7,2.59,;4.57,-.94,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-8.32,.6,;-6.34,2.39,;-5.31,1.24,)|
CNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(Cl)cc1F |r,wU:24.30,13.13,(-3.81,-4.22,;-2.47,-4.99,;-1.14,-4.22,;-1.14,-2.68,;.19,-1.91,;.52,-.41,;2.05,-.25,;2.67,-1.65,;4.18,-1.97,;4.81,-3.38,;6.34,-3.22,;6.66,-1.71,;8.06,-1.09,;8.23,.44,;7.19,1.59,;9.63,1.07,;9.47,2.6,;5.32,-.94,;1.53,-2.68,;1.53,-4.22,;.19,-4.99,;-.52,.74,;-.04,2.2,;-1.07,3.35,;-2.58,3.03,;-3.05,1.56,;-2.02,.42,;-3.61,4.17,;-5.11,3.85,;-6.14,4.99,;-7.65,4.67,;-8.13,3.21,;-9.63,2.89,;-7.1,2.06,;-5.59,2.39,;-4.56,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1Cl |r,wU:25.31,14.14,(-5.14,-4.99,;-3.81,-4.22,;-2.47,-4.99,;-1.14,-4.22,;-1.14,-2.68,;.19,-1.91,;.52,-.41,;2.05,-.25,;2.67,-1.65,;4.18,-1.97,;4.81,-3.38,;6.34,-3.22,;6.66,-1.71,;8.06,-1.09,;8.23,.44,;7.19,1.59,;9.63,1.07,;9.47,2.6,;5.32,-.94,;1.53,-2.68,;1.53,-4.22,;.19,-4.99,;-.52,.74,;-.04,2.2,;-1.07,3.35,;-2.58,3.03,;-3.05,1.56,;-2.02,.42,;-3.61,4.17,;-5.11,3.85,;-6.14,4.99,;-7.65,4.67,;-8.13,3.21,;-9.63,2.89,;-7.1,2.06,;-5.59,2.39,;-4.56,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1Cl |r,wU:25.31,14.14,(-5.89,-4.99,;-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;7.31,-1.09,;7.47,.44,;6.44,1.59,;8.88,1.07,;8.72,2.6,;4.57,-.94,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-8.32,.6,;-6.34,2.39,;-5.31,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C)c1F |r,wU:25.31,14.14,(-5.89,-4.99,;-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;7.31,-1.09,;7.47,.44,;6.44,1.59,;8.88,1.07,;8.72,2.6,;4.57,-.94,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-8.32,.6,;-6.34,2.39,;-5.31,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(Cl)c1Cl |r,wU:25.31,14.14,(-5.89,-4.99,;-4.56,-4.22,;-3.23,-4.99,;-1.89,-4.22,;-1.89,-2.68,;-.56,-1.91,;-.24,-.41,;1.29,-.25,;1.92,-1.65,;3.43,-1.97,;4.05,-3.38,;5.58,-3.22,;5.9,-1.71,;7.31,-1.09,;7.47,.44,;6.44,1.59,;8.88,1.07,;8.72,2.6,;4.57,-.94,;.78,-2.68,;.78,-4.22,;-.56,-4.99,;-1.27,.74,;-.79,2.2,;-1.82,3.35,;-3.33,3.03,;-3.81,1.56,;-2.77,.42,;-4.36,4.17,;-5.87,3.85,;-6.9,4.99,;-8.4,4.67,;-8.88,3.21,;-7.85,2.06,;-8.32,.6,;-6.34,2.39,;-5.31,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@H](O)C(C)(C)O)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:27.33,wD:14.14,(-6.56,-4.99,;-5.23,-4.22,;-3.89,-4.99,;-2.56,-4.22,;-2.56,-2.68,;-1.23,-1.91,;-.9,-.41,;.63,-.25,;1.25,-1.65,;2.76,-1.97,;3.39,-3.38,;4.92,-3.22,;5.24,-1.71,;6.64,-1.09,;6.81,.44,;5.77,1.59,;8.21,1.07,;9.55,.3,;9.5,1.91,;8.05,2.6,;3.9,-.94,;.11,-2.68,;.11,-4.22,;-1.23,-4.99,;-1.94,.74,;-1.46,2.2,;-2.49,3.35,;-4,3.03,;-4.47,1.56,;-3.44,.42,;-5.03,4.17,;-6.53,3.85,;-7.56,4.99,;-9.07,4.67,;-9.55,3.21,;-8.52,2.06,;-7.01,2.39,;-5.98,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@H](O)C(C)(C)O)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(Cl)c1 |r,wU:27.33,wD:14.14,(-6.56,-4.99,;-5.23,-4.22,;-3.89,-4.99,;-2.56,-4.22,;-2.56,-2.68,;-1.23,-1.91,;-.9,-.41,;.63,-.25,;1.25,-1.65,;2.76,-1.97,;3.39,-3.38,;4.92,-3.22,;5.24,-1.71,;6.64,-1.09,;6.81,.44,;5.77,1.59,;8.21,1.07,;9.55,.3,;9.5,1.91,;8.05,2.6,;3.9,-.94,;.11,-2.68,;.11,-4.22,;-1.23,-4.99,;-1.94,.74,;-1.46,2.2,;-2.49,3.35,;-4,3.03,;-4.47,1.56,;-3.44,.42,;-5.03,4.17,;-6.53,3.85,;-7.56,4.99,;-9.07,4.67,;-9.55,3.21,;-8.52,2.06,;-8.99,.6,;-7.01,2.39,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)C(C)(C)O)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:27.33,14.14,(-6.56,-4.99,;-5.23,-4.22,;-3.89,-4.99,;-2.56,-4.22,;-2.56,-2.68,;-1.23,-1.91,;-.9,-.41,;.63,-.25,;1.25,-1.65,;2.76,-1.97,;3.39,-3.38,;4.92,-3.22,;5.24,-1.71,;6.64,-1.09,;6.81,.44,;5.77,1.59,;8.21,1.07,;9.55,.3,;9.5,1.91,;8.05,2.6,;3.9,-.94,;.11,-2.68,;.11,-4.22,;-1.23,-4.99,;-1.94,.74,;-1.46,2.2,;-2.49,3.35,;-4,3.03,;-4.47,1.56,;-3.44,.42,;-5.03,4.17,;-6.53,3.85,;-7.56,4.99,;-9.07,4.67,;-9.55,3.21,;-8.52,2.06,;-7.01,2.39,;-5.98,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)C(C)(C)O)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(Cl)c1 |r,wU:27.33,14.14,(-6.56,-4.99,;-5.23,-4.22,;-3.89,-4.99,;-2.56,-4.22,;-2.56,-2.68,;-1.23,-1.91,;-.9,-.41,;.63,-.25,;1.25,-1.65,;2.76,-1.97,;3.39,-3.38,;4.92,-3.22,;5.24,-1.71,;6.64,-1.09,;6.81,.44,;5.77,1.59,;8.21,1.07,;9.55,.3,;9.5,1.91,;8.05,2.6,;3.9,-.94,;.11,-2.68,;.11,-4.22,;-1.23,-4.99,;-1.94,.74,;-1.46,2.2,;-2.49,3.35,;-4,3.03,;-4.47,1.56,;-3.44,.42,;-5.03,4.17,;-6.53,3.85,;-7.56,4.99,;-9.07,4.67,;-9.55,3.21,;-8.52,2.06,;-8.99,.6,;-7.01,2.39,)|
CCNc1cc2n(nc(-c3cnn(C[C@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1F |r,wU:25.31,wD:14.14,(-5.22,-4.99,;-3.89,-4.22,;-2.55,-4.99,;-1.22,-4.22,;-1.22,-2.68,;.11,-1.91,;.43,-.41,;1.97,-.25,;2.59,-1.65,;4.1,-1.97,;4.73,-3.38,;6.26,-3.22,;6.58,-1.71,;7.98,-1.09,;8.14,.44,;6.9,1.35,;9.55,1.07,;9.71,2.6,;5.24,-.94,;1.45,-2.68,;1.45,-4.22,;.11,-4.99,;-.6,.74,;-.12,2.2,;-1.15,3.35,;-2.66,3.03,;-3.13,1.56,;-2.1,.42,;-3.69,4.17,;-5.19,3.85,;-6.22,4.99,;-7.73,4.67,;-8.21,3.21,;-9.71,2.89,;-7.18,2.06,;-5.67,2.39,;-4.64,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@H](O)C(C)(C)O)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1F |r,wU:27.33,wD:14.14,(-6.56,-4.99,;-5.23,-4.22,;-3.89,-4.99,;-2.56,-4.22,;-2.56,-2.68,;-1.23,-1.91,;-.9,-.41,;.63,-.25,;1.25,-1.65,;2.76,-1.97,;3.39,-3.38,;4.92,-3.22,;5.24,-1.71,;6.64,-1.09,;6.81,.44,;5.77,1.59,;8.21,1.07,;9.55,.3,;9.5,1.91,;8.05,2.6,;3.9,-.94,;.11,-2.68,;.11,-4.22,;-1.23,-4.99,;-1.94,.74,;-1.46,2.2,;-2.49,3.35,;-4,3.03,;-4.47,1.56,;-3.44,.42,;-5.03,4.17,;-6.53,3.85,;-7.56,4.99,;-9.07,4.67,;-9.55,3.21,;-8.52,2.06,;-8.99,.6,;-7.01,2.39,;-5.98,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)C(C)(C)O)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1F |r,wU:27.33,14.14,(-6.56,-4.99,;-5.23,-4.22,;-3.89,-4.99,;-2.56,-4.22,;-2.56,-2.68,;-1.23,-1.91,;-.9,-.41,;.63,-.25,;1.25,-1.65,;2.76,-1.97,;3.39,-3.38,;4.92,-3.22,;5.24,-1.71,;6.64,-1.09,;6.81,.44,;5.77,1.59,;8.21,1.07,;9.55,.3,;9.5,1.91,;8.05,2.6,;3.9,-.94,;.11,-2.68,;.11,-4.22,;-1.23,-4.99,;-1.94,.74,;-1.46,2.2,;-2.49,3.35,;-4,3.03,;-4.47,1.56,;-3.44,.42,;-5.03,4.17,;-6.53,3.85,;-7.56,4.99,;-9.07,4.67,;-9.55,3.21,;-8.52,2.06,;-8.99,.6,;-7.01,2.39,;-5.98,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)C(C)(C)O)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1F |r,wU:27.33,14.14,(-5.81,-4.99,;-4.47,-4.22,;-3.14,-4.99,;-1.81,-4.22,;-1.81,-2.68,;-.47,-1.91,;-.15,-.41,;1.38,-.25,;2.01,-1.65,;3.51,-1.97,;4.14,-3.38,;5.67,-3.22,;5.99,-1.71,;7.4,-1.09,;7.56,.44,;6.53,1.59,;8.97,1.07,;10.3,.3,;10.26,1.91,;8.8,2.6,;4.66,-.94,;.86,-2.68,;.86,-4.22,;-.47,-4.99,;-1.18,.74,;-.71,2.2,;-1.74,3.35,;-3.24,3.03,;-3.72,1.56,;-2.69,.42,;-4.27,4.17,;-5.78,3.85,;-6.81,4.99,;-8.32,4.67,;-8.79,3.21,;-10.3,2.89,;-7.76,2.06,;-6.26,2.39,;-5.23,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@H](O)C(C)(C)O)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1F |r,wU:27.33,wD:14.14,(-5.81,-4.99,;-4.47,-4.22,;-3.14,-4.99,;-1.81,-4.22,;-1.81,-2.68,;-.47,-1.91,;-.15,-.41,;1.38,-.25,;2.01,-1.65,;3.51,-1.97,;4.14,-3.38,;5.67,-3.22,;5.99,-1.71,;7.4,-1.09,;7.56,.44,;6.53,1.59,;8.97,1.07,;10.3,.3,;10.26,1.91,;8.8,2.6,;4.66,-.94,;.86,-2.68,;.86,-4.22,;-.47,-4.99,;-1.18,.74,;-.71,2.2,;-1.74,3.35,;-3.24,3.03,;-3.72,1.56,;-2.69,.42,;-4.27,4.17,;-5.78,3.85,;-6.81,4.99,;-8.32,4.67,;-8.79,3.21,;-10.3,2.89,;-7.76,2.06,;-6.26,2.39,;-5.23,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1)C(O)=O |r,wU:20.26,(-2.51,-4.22,;-1.17,-4.99,;.16,-4.22,;.16,-2.68,;1.49,-1.91,;1.81,-.41,;3.35,-.25,;3.97,-1.65,;5.48,-1.97,;6.1,-3.38,;7.64,-3.22,;7.96,-1.71,;9.36,-1.09,;6.62,-.94,;2.83,-2.68,;2.83,-4.22,;1.49,-4.99,;.78,.74,;1.26,2.2,;.23,3.35,;-1.28,3.03,;-1.75,1.56,;-.72,.42,;-2.31,4.17,;-3.81,3.85,;-4.29,2.39,;-5.8,2.06,;-6.83,3.21,;-6.35,4.67,;-4.84,4.99,;-8.33,2.89,;-8.81,1.42,;-9.36,4.03,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(c1)C(O)=O |r,wU:20.26,(-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-5.08,2.39,;-7.06,.6,;-6.03,-.54,;-8.57,.28,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C(O)=O)c1C |r,wU:21.27,(-4.63,-4.99,;-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-7.06,.6,;-6.03,-.54,;-8.57,.28,;-5.08,2.39,;-4.05,1.24,)|
CNC(=O)c1cccc(O[C@H]2CCC(CC2)n2nc(-c3cnn(C)c3)c3cnc(NC)cc23)c1 |r,wU:10.9,(-6.51,-2.01,;-6.03,-.54,;-7.06,.6,;-8.57,.28,;-6.59,2.06,;-7.62,3.21,;-7.14,4.67,;-5.64,4.99,;-4.61,3.85,;-3.1,4.17,;-2.07,3.03,;-.56,3.35,;.47,2.2,;-.01,.74,;-1.52,.42,;-2.55,1.56,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.63,-4.22,;-1.97,-4.99,;-3.3,-4.22,;-.63,-2.68,;.7,-1.91,;-5.08,2.39,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(c1)C(=O)NCCOC |r,wU:20.26,(-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.4,;2.55,-.24,;3.18,-1.65,;4.69,-1.97,;5.31,-3.37,;6.84,-3.21,;7.16,-1.71,;8.57,-1.08,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.21,;-.56,3.35,;-2.07,3.03,;-2.55,1.57,;-1.52,.42,;-3.1,4.18,;-4.61,3.86,;-5.64,5,;-7.14,4.68,;-7.62,3.22,;-6.59,2.07,;-5.08,2.39,;-7.06,.61,;-8.57,.29,;-6.03,-.54,;-6.43,-2.03,;-5.34,-3.11,;-5.74,-4.6,;-7.23,-5,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(c1)C(=O)N(C)C |r,wU:20.26,(-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-5.08,2.39,;-7.06,.6,;-8.57,.28,;-6.03,-.54,;-4.53,-.22,;-6.51,-2.01,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(c1)C(=O)NC(C)C |r,wU:20.26,(-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-5.08,2.39,;-7.06,.6,;-8.57,.28,;-6.03,-.54,;-6.51,-2.01,;-5.48,-3.15,;-8.02,-2.33,)|
CNC(=O)c1ccc(O[C@H]2CCC(CC2)n2nc(-c3cnn(C)c3)c3cnc(NC)cc23)cc1 |r,wU:9.8,(-7.78,.28,;-8.81,1.42,;-8.33,2.89,;-9.36,4.03,;-6.83,3.21,;-5.8,2.06,;-4.29,2.39,;-3.81,3.85,;-2.31,4.17,;-1.28,3.03,;.23,3.35,;1.26,2.2,;.78,.74,;-.72,.42,;-1.75,1.56,;1.81,-.41,;3.35,-.25,;3.97,-1.65,;5.48,-1.97,;6.1,-3.38,;7.64,-3.22,;7.96,-1.71,;9.36,-1.09,;6.62,-.94,;2.83,-2.68,;2.83,-4.22,;1.49,-4.99,;.16,-4.22,;-1.17,-4.99,;-2.51,-4.22,;.16,-2.68,;1.49,-1.91,;-4.84,4.99,;-6.35,4.67,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)N(C)C |r,wU:20.26,(-2.03,-4.22,;-.7,-4.99,;.64,-4.22,;.64,-2.68,;1.97,-1.91,;2.29,-.41,;3.82,-.25,;4.45,-1.65,;5.95,-1.97,;6.58,-3.38,;8.11,-3.22,;8.43,-1.71,;9.84,-1.09,;7.1,-.94,;3.3,-2.68,;3.3,-4.22,;1.97,-4.99,;1.26,.74,;1.74,2.2,;.71,3.35,;-.8,3.03,;-1.28,1.56,;-.25,.42,;-1.83,4.17,;-3.34,3.85,;-3.81,2.39,;-5.32,2.06,;-6.35,3.21,;-5.87,4.67,;-4.37,4.99,;-7.86,2.89,;-8.89,4.03,;-8.33,1.42,;-7.3,.28,;-9.84,1.1,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)NC(C)C |r,wU:20.26,(-2.51,-4.22,;-1.17,-4.99,;.16,-4.22,;.16,-2.68,;1.49,-1.91,;1.81,-.41,;3.35,-.25,;3.97,-1.65,;5.48,-1.97,;6.1,-3.38,;7.64,-3.22,;7.96,-1.71,;9.36,-1.09,;6.62,-.94,;2.83,-2.68,;2.83,-4.22,;1.49,-4.99,;.78,.74,;1.26,2.2,;.23,3.35,;-1.28,3.03,;-1.75,1.56,;-.72,.42,;-2.31,4.17,;-3.81,3.85,;-4.29,2.39,;-5.8,2.06,;-6.83,3.21,;-6.35,4.67,;-4.84,4.99,;-8.33,2.89,;-9.36,4.03,;-8.81,1.42,;-7.78,.28,;-8.25,-1.18,;-6.27,.6,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)NCCOC |r,wU:20.26,(-2.51,-4.22,;-1.17,-4.99,;.16,-4.22,;.16,-2.68,;1.49,-1.91,;1.81,-.41,;3.35,-.25,;3.97,-1.65,;5.48,-1.97,;6.1,-3.38,;7.64,-3.22,;7.96,-1.71,;9.36,-1.09,;6.62,-.94,;2.83,-2.68,;2.83,-4.22,;1.49,-4.99,;.78,.74,;1.26,2.2,;.23,3.35,;-1.28,3.03,;-1.75,1.56,;-.72,.42,;-2.31,4.17,;-3.81,3.85,;-4.29,2.39,;-5.8,2.06,;-6.83,3.21,;-6.35,4.67,;-4.84,4.99,;-8.33,2.89,;-9.36,4.03,;-8.81,1.42,;-7.78,.28,;-8.25,-1.18,;-7.22,-2.33,;-7.7,-3.79,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1F)C(=O)NC |r,wU:21.27,(-3.84,-4.99,;-2.51,-4.22,;-1.17,-4.99,;.16,-4.22,;.16,-2.68,;1.49,-1.91,;1.81,-.41,;3.35,-.25,;3.97,-1.65,;5.48,-1.97,;6.1,-3.38,;7.64,-3.22,;7.96,-1.71,;9.36,-1.09,;6.62,-.94,;2.83,-2.68,;2.83,-4.22,;1.49,-4.99,;.78,.74,;1.26,2.2,;.23,3.35,;-1.28,3.03,;-1.75,1.56,;-.72,.42,;-2.31,4.17,;-3.81,3.85,;-4.84,4.99,;-6.35,4.67,;-6.83,3.21,;-5.8,2.06,;-4.29,2.39,;-3.26,1.24,;-8.33,2.89,;-9.36,4.03,;-8.81,1.42,;-7.78,.28,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1F)C(=O)N(C)C |r,wU:21.27,(-3.36,-4.99,;-2.03,-4.22,;-.7,-4.99,;.64,-4.22,;.64,-2.68,;1.97,-1.91,;2.29,-.41,;3.82,-.25,;4.45,-1.65,;5.95,-1.97,;6.58,-3.38,;8.11,-3.22,;8.43,-1.71,;9.84,-1.09,;7.1,-.94,;3.3,-2.68,;3.3,-4.22,;1.97,-4.99,;1.26,.74,;1.74,2.2,;.71,3.35,;-.8,3.03,;-1.28,1.56,;-.25,.42,;-1.83,4.17,;-3.34,3.85,;-4.37,4.99,;-5.87,4.67,;-6.35,3.21,;-5.32,2.06,;-3.81,2.39,;-2.78,1.24,;-7.86,2.89,;-8.89,4.03,;-8.33,1.42,;-7.3,.28,;-9.84,1.1,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(cc1F)C(=O)NC(C)C |r,wU:21.27,(-3.84,-4.99,;-2.51,-4.22,;-1.17,-4.99,;.16,-4.22,;.16,-2.68,;1.49,-1.91,;1.81,-.41,;3.35,-.25,;3.97,-1.65,;5.48,-1.97,;6.1,-3.38,;7.64,-3.22,;7.96,-1.71,;9.36,-1.09,;6.62,-.94,;2.83,-2.68,;2.83,-4.22,;1.49,-4.99,;.78,.74,;1.26,2.2,;.23,3.35,;-1.28,3.03,;-1.75,1.56,;-.72,.42,;-2.31,4.17,;-3.81,3.85,;-4.84,4.99,;-6.35,4.67,;-6.83,3.21,;-5.8,2.06,;-4.29,2.39,;-3.26,1.24,;-8.33,2.89,;-9.36,4.03,;-8.81,1.42,;-7.78,.28,;-8.25,-1.18,;-6.27,.6,)|
CNC(=O)c1cccc(O[C@H]2CCC(CC2)n2nc(-c3cnn(C)c3)c3cnc(NC)cc23)c1F |r,wU:10.9,(-6.43,-2.03,;-6.03,-.54,;-7.06,.6,;-8.57,.28,;-6.59,2.06,;-7.62,3.21,;-7.14,4.67,;-5.64,4.99,;-4.61,3.85,;-3.1,4.17,;-2.07,3.03,;-.56,3.35,;.47,2.2,;-.01,.74,;-1.52,.42,;-2.55,1.56,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.63,-4.22,;-1.97,-4.99,;-3.3,-4.22,;-.63,-2.68,;.7,-1.91,;-5.08,2.39,;-4.05,1.24,)|
CCNC(=O)c1cccc(O[C@H]2CCC(CC2)n2nc(-c3cnn(C)c3)c3cnc(NC)cc23)c1F |r,wU:11.10,(-5.34,-3.12,;-6.43,-2.03,;-6.03,-.54,;-7.06,.6,;-8.57,.28,;-6.59,2.06,;-7.62,3.21,;-7.14,4.67,;-5.64,4.99,;-4.61,3.85,;-3.1,4.17,;-2.07,3.03,;-.56,3.35,;.47,2.2,;-.01,.74,;-1.52,.42,;-2.55,1.56,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.63,-4.22,;-1.97,-4.99,;-3.3,-4.22,;-.63,-2.68,;.7,-1.91,;-5.08,2.39,;-4.05,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C(=O)N(C)C)c1F |r,wU:20.26,(-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-7.06,.6,;-8.57,.28,;-6.03,-.54,;-6.43,-2.03,;-4.54,-.18,;-5.08,2.39,;-4.05,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C(=O)NC(C)C)c1F |r,wU:20.26,(-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-7.06,.6,;-8.57,.28,;-6.03,-.54,;-6.43,-2.03,;-5.34,-3.12,;-7.92,-2.43,;-5.08,2.39,;-4.05,1.24,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C(=O)NC)c1C |r,wU:21.27,(-4.63,-4.99,;-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-7.06,.6,;-8.57,.28,;-6.03,-.54,;-6.43,-2.03,;-5.08,2.39,;-4.05,1.24,)|
CCNC(=O)c1cccc(O[C@H]2CCC(CC2)n2nc(-c3cnn(C)c3)c3cnc(NCC)cc23)c1C |r,wU:11.10,(-5.34,-3.12,;-6.43,-2.03,;-6.03,-.54,;-7.06,.6,;-8.57,.28,;-6.59,2.06,;-7.62,3.21,;-7.14,4.67,;-5.64,4.99,;-4.61,3.85,;-3.1,4.17,;-2.07,3.03,;-.56,3.35,;.47,2.2,;-.01,.74,;-1.52,.42,;-2.55,1.56,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.63,-4.22,;-1.97,-4.99,;-3.3,-4.22,;-4.63,-4.99,;-.63,-2.68,;.7,-1.91,;-5.08,2.39,;-4.05,1.24,)|
CNCc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C(=O)NC(C)C)c1C |r,wU:21.27,(-4.63,-4.99,;-3.3,-4.22,;-1.97,-4.99,;-.63,-4.22,;-.63,-2.68,;.7,-1.91,;1.02,-.41,;2.55,-.25,;3.18,-1.65,;4.69,-1.97,;5.31,-3.38,;6.84,-3.22,;7.16,-1.71,;8.57,-1.09,;5.83,-.94,;2.04,-2.68,;2.04,-4.22,;.7,-4.99,;-.01,.74,;.47,2.2,;-.56,3.35,;-2.07,3.03,;-2.55,1.56,;-1.52,.42,;-3.1,4.17,;-4.61,3.85,;-5.64,4.99,;-7.14,4.67,;-7.62,3.21,;-6.59,2.06,;-7.06,.6,;-8.57,.28,;-6.03,-.54,;-6.51,-2.01,;-8.02,-2.33,;-5.48,-3.15,;-5.08,2.39,;-4.05,1.24,)|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@H](Oc2ccccc2)[C@@H](O)C1 |r|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)[C@@H]1CC[C@H](Oc2ccccc2)[C@@H](O)C1 |r|
CNc1cc2n(nc(-c3cnn(C)c3)c2cn1)[C@H]1CC[C@@H](Oc2ccccc2)[C@H](O)C1 |r|
CNc1cc2n(nc(-c3ccn(C)n3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:20.26,(-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:25.31,14.14,(-6.82,-5.72,;-5.49,-4.95,;-4.15,-5.72,;-2.82,-4.95,;-2.82,-3.41,;-1.49,-2.64,;-1.17,-1.14,;.36,-.98,;.99,-2.38,;2.5,-2.7,;3.64,-1.67,;4.98,-2.44,;4.66,-3.95,;5.74,-5.04,;7.23,-4.64,;7.79,-3.19,;8.32,-5.73,;9.81,-5.33,;3.12,-4.11,;-.15,-3.41,;-.15,-4.95,;-1.49,-5.72,;-2.2,.01,;-1.72,1.47,;-2.75,2.62,;-4.26,2.3,;-4.73,.83,;-3.7,-.31,;-5.29,3.44,;-6.8,3.12,;-7.27,1.66,;-8.78,1.34,;-9.81,2.48,;-9.33,3.94,;-7.83,4.26,;-7.35,5.73,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccc(F)cc1 |r,wU:21.27,(-4.36,-4.99,;-3.02,-4.22,;-1.69,-4.99,;-.35,-4.22,;-.35,-2.68,;.98,-1.91,;1.3,-.41,;2.83,-.25,;3.46,-1.65,;4.96,-1.97,;5.59,-3.38,;7.12,-3.22,;7.44,-1.71,;8.85,-1.09,;6.11,-.94,;2.31,-2.68,;2.31,-4.22,;.98,-4.99,;.27,.74,;.74,2.2,;-.29,3.35,;-1.79,3.03,;-2.27,1.56,;-1.24,.42,;-2.82,4.17,;-4.33,3.85,;-5.36,4.99,;-6.87,4.67,;-7.34,3.21,;-8.85,2.89,;-6.31,2.06,;-4.81,2.39,)|
CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(F)c1 |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-7.54,.6,;-5.56,2.39,)|
CNc1cc2n(nc(-c3ccc(CN4CCN(C)CC4)cc3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1 |r,wU:28.35,(-6.15,-4.22,;-4.82,-4.99,;-3.49,-4.22,;-3.49,-2.68,;-2.15,-1.91,;-1.83,-.41,;-.3,-.25,;.33,-1.65,;1.83,-1.97,;2.31,-3.44,;3.81,-3.76,;4.84,-2.61,;6.35,-2.93,;7.38,-1.79,;8.89,-2.11,;9.92,-.97,;9.44,.5,;10.47,1.64,;7.94,.82,;6.91,-.33,;4.37,-1.15,;2.86,-.83,;-.82,-2.68,;-.82,-4.22,;-2.15,-4.99,;-2.86,.74,;-2.39,2.2,;-3.42,3.35,;-4.92,3.03,;-5.4,1.56,;-4.37,.42,;-5.95,4.17,;-7.46,3.85,;-8.49,4.99,;-10,4.67,;-10.47,3.21,;-9.44,2.06,;-7.94,2.39,)|
CNc1cc2n(nc(-c3ccc(CN4CCN(C)CC4)cc3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1 |r,wD:28.35,(-6.15,-4.22,;-4.82,-4.99,;-3.49,-4.22,;-3.49,-2.68,;-2.15,-1.91,;-1.83,-.41,;-.3,-.25,;.33,-1.65,;1.83,-1.97,;2.31,-3.44,;3.81,-3.76,;4.84,-2.61,;6.35,-2.93,;7.38,-1.79,;8.89,-2.11,;9.92,-.97,;9.44,.5,;10.47,1.64,;7.94,.82,;6.91,-.33,;4.37,-1.15,;2.86,-.83,;-.82,-2.68,;-.82,-4.22,;-2.15,-4.99,;-2.86,.74,;-4.37,.42,;-5.4,1.56,;-4.92,3.03,;-3.42,3.35,;-2.39,2.2,;-5.95,4.17,;-7.46,3.85,;-8.49,4.99,;-10,4.67,;-10.47,3.21,;-9.44,2.06,;-7.94,2.39,)|
CNc1cc2c(nn(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:20.26,(-3.58,-4.22,;-2.25,-4.99,;-.91,-4.22,;-.91,-2.68,;.42,-1.91,;.74,-.41,;2.27,-.25,;2.9,-1.65,;4.41,-1.97,;5.55,-.94,;6.88,-1.71,;6.56,-3.22,;7.9,-3.99,;5.03,-3.38,;1.76,-2.68,;1.76,-4.22,;.42,-4.99,;-.29,.74,;.19,2.2,;-.84,3.35,;-2.35,3.03,;-2.82,1.56,;-1.79,.42,;-3.38,4.17,;-4.89,3.85,;-5.92,4.99,;-7.42,4.67,;-7.9,3.21,;-6.87,2.06,;-5.36,2.39,;-4.33,1.24,)|
CCNc1cc2c(nn(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:21.27,(-4.91,-4.99,;-3.58,-4.22,;-2.25,-4.99,;-.91,-4.22,;-.91,-2.68,;.42,-1.91,;.74,-.41,;2.27,-.25,;2.9,-1.65,;4.41,-1.97,;5.55,-.94,;6.88,-1.71,;6.56,-3.22,;7.9,-3.99,;5.03,-3.38,;1.76,-2.68,;1.76,-4.22,;.42,-4.99,;-.29,.74,;.19,2.2,;-.84,3.35,;-2.35,3.03,;-2.82,1.56,;-1.79,.42,;-3.38,4.17,;-4.89,3.85,;-5.92,4.99,;-7.42,4.67,;-7.9,3.21,;-6.87,2.06,;-5.36,2.39,;-4.33,1.24,)|
CCNc1cc2c(nn(-c3ccc(cc3)C#N)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:23.29,(-6.18,-4.99,;-4.85,-4.22,;-3.51,-4.99,;-2.18,-4.22,;-2.18,-2.68,;-.84,-1.91,;-.52,-.41,;1.01,-.25,;1.63,-1.65,;3.14,-1.97,;3.62,-3.44,;5.12,-3.76,;6.21,-2.63,;5.68,-1.15,;4.17,-.83,;7.71,-2.95,;9.22,-3.27,;.49,-2.68,;.49,-4.22,;-.84,-4.99,;-1.55,.74,;-1.08,2.2,;-2.11,3.35,;-3.62,3.03,;-4.09,1.56,;-3.06,.42,;-4.65,4.17,;-6.15,3.85,;-7.18,4.99,;-8.69,4.67,;-9.17,3.21,;-8.13,2.06,;-6.63,2.39,;-5.6,1.24,)|
CCNc1cc2c(nn(-c3ccc(CN4CCN(C)CC4)cc3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:29.36,(-7.6,-4.99,;-6.27,-4.22,;-4.94,-4.99,;-3.6,-4.22,;-3.6,-2.68,;-2.27,-1.91,;-1.95,-.41,;-.42,-.25,;.21,-1.65,;1.72,-1.97,;2.19,-3.44,;3.7,-3.76,;4.73,-2.61,;6.23,-2.93,;7.32,-1.85,;8.81,-2.24,;9.9,-1.16,;9.5,.33,;10.59,1.42,;8.01,.73,;6.92,-.36,;4.25,-1.15,;2.75,-.83,;-.94,-2.68,;-.94,-4.22,;-2.27,-4.99,;-2.98,.74,;-2.5,2.2,;-3.53,3.35,;-5.04,3.03,;-5.52,1.56,;-4.49,.42,;-6.07,4.17,;-7.58,3.85,;-8.61,4.99,;-10.11,4.67,;-10.59,3.21,;-9.56,2.06,;-8.05,2.39,;-7.02,1.24,)|
CCNc1cc2c(nn(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:21.27,(-4.76,-4.99,;-3.43,-4.22,;-2.09,-4.99,;-.76,-4.22,;-.76,-2.68,;.57,-1.91,;.89,-.41,;2.43,-.25,;3.05,-1.65,;4.56,-1.97,;5.7,-.94,;7.04,-1.71,;6.72,-3.22,;7.75,-4.36,;5.18,-3.38,;1.91,-2.68,;1.91,-4.22,;.57,-4.99,;-.14,.74,;.34,2.2,;-.69,3.35,;-2.2,3.03,;-2.67,1.56,;-1.64,.42,;-3.23,4.17,;-4.73,3.85,;-5.76,4.99,;-7.27,4.67,;-7.75,3.21,;-6.72,2.06,;-5.21,2.39,;-4.18,1.24,)|
Nc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:23.29,12.12,(-4.06,-4.99,;-2.73,-4.22,;-2.73,-2.68,;-1.4,-1.91,;-1.08,-.41,;.45,-.24,;1.08,-1.65,;2.59,-1.97,;3.73,-.94,;5.07,-1.71,;4.75,-3.22,;5.83,-4.31,;7.32,-3.91,;7.88,-2.6,;8.41,-5,;9.72,-4.42,;3.21,-3.38,;-.06,-2.68,;-.06,-4.22,;-1.4,-4.99,;-2.11,.74,;-1.63,2.2,;-2.66,3.35,;-4.17,3.03,;-4.64,1.56,;-3.61,.42,;-5.2,4.17,;-6.71,3.85,;-7.74,5,;-9.24,4.68,;-9.72,3.21,;-8.69,2.07,;-7.18,2.39,;-6.15,1.24,)|
CCNc1cc2n(nc(-n3cnc(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1ccccc1F |r,wU:21.27,(-5.11,-4.99,;-3.78,-4.22,;-2.44,-4.99,;-1.11,-4.22,;-1.11,-2.68,;.23,-1.91,;.55,-.41,;2.08,-.25,;2.7,-1.65,;4.21,-1.97,;4.84,-3.38,;6.37,-3.22,;6.69,-1.71,;8.09,-1.09,;5.35,-.94,;1.56,-2.68,;1.56,-4.22,;.23,-4.99,;-.48,.74,;-.01,2.2,;-1.04,3.35,;-2.55,3.03,;-3.02,1.56,;-1.99,.42,;-3.58,4.17,;-5.08,3.85,;-6.11,4.99,;-7.62,4.67,;-8.09,3.21,;-7.06,2.06,;-5.56,2.39,;-4.53,1.24,)|
Cn1cc(cn1)-c1nn(C2CC[C@@H](CC2)Oc2cccc(F)c2F)c2cc(Nc3ccccc3)ncc12 |r,wU:12.16,(7.75,-4.36,;6.72,-3.22,;5.18,-3.38,;4.56,-1.97,;5.7,-.94,;7.04,-1.71,;3.05,-1.65,;2.43,-.25,;.89,-.41,;-.14,.74,;.34,2.2,;-.69,3.35,;-2.2,3.03,;-2.67,1.56,;-1.64,.42,;-3.23,4.17,;-4.73,3.85,;-5.76,4.99,;-7.27,4.67,;-7.75,3.21,;-6.72,2.06,;-7.19,.6,;-5.21,2.39,;-4.18,1.24,;.57,-1.91,;-.76,-2.68,;-.76,-4.22,;-2.09,-4.99,;-3.43,-4.22,;-3.43,-2.68,;-4.76,-1.91,;-6.09,-2.68,;-6.09,-4.22,;-4.76,-4.99,;.57,-4.99,;1.91,-4.22,;1.91,-2.68,)|
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CCNc1cc2n(nc(N3CCC(CC3)N3CCN(C)CC3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:28.35,(-7.69,-4.99,;-6.35,-4.22,;-5.02,-4.99,;-3.68,-4.22,;-3.68,-2.68,;-2.35,-1.91,;-2.03,-.41,;-.5,-.25,;.13,-1.65,;1.63,-1.97,;2.11,-3.44,;3.62,-3.76,;4.65,-2.61,;4.17,-1.15,;2.66,-.83,;6.15,-2.93,;6.63,-4.4,;8.14,-4.72,;9.17,-3.57,;10.67,-3.89,;8.69,-2.11,;7.18,-1.79,;-1.02,-2.68,;-1.02,-4.22,;-2.35,-4.99,;-3.06,.74,;-2.59,2.2,;-3.62,3.35,;-5.12,3.03,;-5.6,1.56,;-4.57,.42,;-6.15,4.17,;-7.66,3.85,;-8.69,4.99,;-10.2,4.67,;-10.67,3.21,;-9.64,2.06,;-8.14,2.39,;-7.1,1.24,;-10.12,.6,;-11.62,.28,;-9.09,-.54,;-10.59,-.86,)|
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CCNc1cc2n(nc(N3CC[C@H](C3)NC)c2cn1)C1CC[C@@H](CC1)Oc1cccc(c1F)C(F)(F)F |r,wU:22.28,wD:12.14,(-5.78,-4.99,;-4.44,-4.22,;-3.11,-4.99,;-1.77,-4.22,;-1.77,-2.68,;-.44,-1.91,;-.12,-.41,;1.41,-.25,;2.04,-1.65,;3.54,-1.97,;4.17,-3.38,;5.7,-3.22,;6.02,-1.71,;4.69,-.94,;7.43,-1.09,;8.76,-1.86,;.89,-2.68,;.89,-4.22,;-.44,-4.99,;-1.15,.74,;-.68,2.2,;-1.71,3.35,;-3.21,3.03,;-3.69,1.56,;-2.66,.42,;-4.24,4.17,;-5.75,3.85,;-6.78,4.99,;-8.29,4.67,;-8.76,3.21,;-7.73,2.06,;-6.23,2.39,;-5.19,1.24,;-8.21,.6,;-9.71,.28,;-7.18,-.54,;-8.68,-.86,)|
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CNc1cc2n(nc(N3CCNCC3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:20.26,(-3.34,-4.22,;-2.01,-4.99,;-.67,-4.22,;-.67,-2.68,;.66,-1.91,;.98,-.41,;2.51,-.25,;3.14,-1.65,;4.65,-1.97,;5.12,-3.44,;6.63,-3.76,;7.66,-2.61,;7.18,-1.15,;5.68,-.83,;2,-2.68,;2,-4.22,;.66,-4.99,;-.05,.74,;.43,2.2,;-.6,3.35,;-2.11,3.03,;-2.59,1.56,;-1.55,.42,;-3.14,4.17,;-4.65,3.85,;-5.68,4.99,;-7.18,4.67,;-7.66,3.21,;-6.63,2.06,;-5.12,2.39,;-4.09,1.24,;-7.1,.6,;-8.61,.28,;-6.07,-.54,;-7.58,-.86,)|
CCNc1cc2n(nc(-c3cnn(CCN4CCN(C)CC4)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:29.36,(-5.07,-4.99,;-3.74,-4.22,;-2.41,-4.99,;-1.07,-4.22,;-1.07,-2.68,;.26,-1.91,;.58,-.41,;2.11,-.25,;2.74,-1.65,;4.25,-1.97,;4.87,-3.38,;6.4,-3.22,;6.72,-1.71,;8.06,-.94,;8.06,.6,;6.72,1.37,;6.72,2.91,;5.39,3.68,;4.06,2.91,;2.72,3.68,;4.06,1.37,;5.39,.6,;5.39,-.94,;1.6,-2.68,;1.6,-4.22,;.26,-4.99,;-.45,.74,;.03,2.2,;-1,3.35,;-2.51,3.03,;-2.98,1.56,;-1.95,.42,;-3.54,4.17,;-5.05,3.85,;-6.08,4.99,;-7.58,4.67,;-8.06,3.21,;-7.03,2.06,;-5.52,2.39,;-4.49,1.24,;-7.5,.6,;-9.01,.28,;-6.47,-.54,;-7.98,-.86,)|
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CCNc1cc2n(nc(-c3cnn(C)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(c1F)C(F)(F)F |r,wU:21.27,(-5.07,-4.99,;-3.74,-4.22,;-2.41,-4.99,;-1.07,-4.22,;-1.07,-2.68,;.26,-1.91,;.58,-.41,;2.11,-.25,;2.74,-1.65,;4.25,-1.97,;4.87,-3.38,;6.4,-3.22,;6.72,-1.71,;8.06,-.94,;5.39,-.94,;1.6,-2.68,;1.6,-4.22,;.26,-4.99,;-.45,.74,;.03,2.2,;-1,3.35,;-2.51,3.03,;-2.98,1.56,;-1.95,.42,;-3.54,4.17,;-5.05,3.85,;-6.08,4.99,;-7.58,4.67,;-8.06,3.21,;-7.03,2.06,;-5.52,2.39,;-4.49,1.24,;-7.5,.6,;-9.01,.28,;-6.47,-.54,;-7.98,-.86,)|
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CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C#N)c1F |r,wU:25.31,14.14,(-6.79,-4.96,;-5.46,-4.19,;-4.13,-4.96,;-2.79,-4.19,;-2.79,-2.65,;-1.46,-1.88,;-1.14,-.38,;.39,-.22,;1.02,-1.62,;2.53,-1.94,;3.67,-.91,;5,-1.68,;4.68,-3.19,;5.71,-4.33,;7.2,-3.94,;7.6,-2.45,;8.29,-5.02,;9.78,-4.63,;3.15,-3.35,;-.12,-2.65,;-.12,-4.19,;-1.46,-4.96,;-2.17,.77,;-1.69,2.23,;-2.72,3.38,;-4.23,3.06,;-4.7,1.59,;-3.67,.45,;-5.26,4.2,;-6.77,3.88,;-7.8,5.02,;-9.3,4.7,;-9.78,3.24,;-8.81,2.02,;-9.3,.56,;-9.79,-.9,;-7.24,2.42,;-6.21,1.27,)|
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CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(C(F)F)c1F |r,wU:25.31,14.14,(-6.32,-4.96,;-4.98,-4.19,;-3.65,-4.96,;-2.32,-4.19,;-2.32,-2.65,;-.98,-1.88,;-.66,-.38,;.87,-.22,;1.5,-1.62,;3,-1.94,;4.15,-.91,;5.48,-1.68,;5.16,-3.19,;6.19,-4.33,;7.68,-3.94,;8.08,-2.45,;8.77,-5.02,;10.25,-4.63,;3.63,-3.35,;.35,-2.65,;.35,-4.19,;-.98,-4.96,;-1.69,.77,;-1.22,2.23,;-2.25,3.38,;-3.75,3.06,;-4.23,1.59,;-3.2,.45,;-4.78,4.2,;-6.29,3.88,;-7.32,5.02,;-8.83,4.7,;-9.3,3.24,;-8.27,2.09,;-8.75,.63,;-10.25,.31,;-7.72,-.51,;-6.77,2.42,;-5.74,1.27,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(OC)c1F |r,wU:25.31,14.14,(-6.32,-4.96,;-4.98,-4.19,;-3.65,-4.96,;-2.32,-4.19,;-2.32,-2.65,;-.98,-1.88,;-.66,-.38,;.87,-.22,;1.5,-1.62,;3,-1.94,;4.15,-.91,;5.48,-1.68,;5.16,-3.19,;6.19,-4.33,;7.68,-3.94,;8.08,-2.45,;8.77,-5.02,;10.25,-4.63,;3.63,-3.35,;.35,-2.65,;.35,-4.19,;-.98,-4.96,;-1.69,.77,;-1.22,2.23,;-2.25,3.38,;-3.75,3.06,;-4.23,1.59,;-3.2,.45,;-4.78,4.2,;-6.29,3.88,;-7.32,5.02,;-8.83,4.7,;-9.3,3.24,;-8.27,2.09,;-8.75,.63,;-10.25,.31,;-6.77,2.42,;-5.74,1.27,)|
Nc1cc2n(nc(-c3cnn(C[C@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wD:23.29,12.12,(-3.79,-5.73,;-2.45,-4.96,;-2.45,-3.42,;-1.12,-2.65,;-.8,-1.14,;.73,-.98,;1.36,-2.39,;2.87,-2.71,;4.01,-1.68,;5.34,-2.45,;5.02,-3.95,;6.06,-4.92,;7.54,-4.52,;8.09,-3.25,;8.63,-5.61,;9.99,-5.01,;3.49,-4.11,;.22,-3.42,;.22,-4.96,;-1.12,-5.73,;-1.83,0,;-3.33,-.32,;-4.36,.83,;-3.89,2.29,;-2.38,2.61,;-1.35,1.47,;-4.92,3.44,;-6.43,3.12,;-6.9,1.65,;-8.41,1.33,;-9.44,2.48,;-8.96,3.94,;-7.46,4.26,;-6.98,5.73,;-9.99,5.09,;-9.52,6.55,;-11.5,4.77,;-11.02,6.23,)|
Nc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:12.12,wD:23.29,(-3.9,-5.7,;-2.57,-4.93,;-2.57,-3.39,;-1.24,-2.62,;-.92,-1.11,;.61,-.95,;1.24,-2.36,;2.75,-2.68,;3.89,-1.65,;5.22,-2.42,;4.9,-3.92,;5.94,-5.07,;7.42,-4.67,;7.82,-3.18,;8.51,-5.76,;10.11,-5.33,;3.37,-4.08,;.1,-3.39,;.1,-4.93,;-1.24,-5.7,;-1.95,.03,;-3.45,-.29,;-4.48,.86,;-4.01,2.32,;-2.5,2.64,;-1.47,1.5,;-5.04,3.47,;-6.55,3.15,;-7.02,1.68,;-8.53,1.36,;-9.56,2.51,;-9.08,3.97,;-7.58,4.29,;-7.1,5.76,;-10.11,5.12,;-9.64,6.58,;-11.62,4.8,;-11.14,6.26,)|
CCNc1cc2n(nc(-c3cnn(C[C@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(C)c1F |r,wD:25.31,14.14,(-6.54,-5.7,;-5.2,-4.93,;-3.87,-5.7,;-2.53,-4.93,;-2.53,-3.39,;-1.2,-2.62,;-.88,-1.11,;.65,-.95,;1.28,-2.36,;2.78,-2.68,;3.93,-1.65,;5.26,-2.42,;4.94,-3.92,;5.97,-5.07,;7.46,-4.67,;7.86,-3.18,;8.55,-5.76,;10.08,-5.35,;3.41,-4.08,;.13,-3.39,;.13,-4.93,;-1.2,-5.7,;-1.91,.03,;-3.42,-.29,;-4.45,.86,;-3.97,2.32,;-2.47,2.64,;-1.43,1.5,;-5,3.47,;-6.51,3.15,;-6.98,1.68,;-8.49,1.36,;-9.52,2.51,;-9.05,3.97,;-10.08,5.12,;-7.54,4.29,;-7.06,5.76,)|
CCNc1cc2n(nc(-c3cnn(C[C@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(C#N)c1F |r,wD:25.31,14.14,(-5.99,-5.99,;-4.66,-5.22,;-3.32,-5.99,;-1.99,-5.22,;-1.99,-3.68,;-.66,-2.91,;-.34,-1.4,;1.2,-1.24,;1.82,-2.65,;3.33,-2.97,;4.47,-1.94,;5.81,-2.71,;5.49,-4.22,;6.52,-5.36,;8,-4.96,;8.42,-3.42,;9.09,-6.05,;10.64,-5.64,;3.96,-4.38,;.68,-3.68,;.68,-5.22,;-.66,-5.99,;-1.37,-.26,;-2.87,-.58,;-3.9,.56,;-3.43,2.03,;-1.92,2.35,;-.89,1.21,;-4.46,3.17,;-5.96,2.85,;-6.44,1.39,;-7.95,1.07,;-8.98,2.21,;-8.54,3.72,;-9.57,4.86,;-10.6,6.01,;-6.99,4,;-6.52,5.46,)|
CCNc1cc2n(nc(-c3cnn(C[C@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1cccc(OC)c1F |r,wD:25.31,14.14,(-5.77,-5.7,;-4.44,-4.93,;-3.1,-5.7,;-1.77,-4.93,;-1.77,-3.39,;-.44,-2.62,;-.12,-1.11,;1.41,-.95,;2.04,-2.36,;3.55,-2.68,;4.69,-1.65,;6.03,-2.42,;5.71,-3.92,;6.74,-5.07,;8.22,-4.67,;8.62,-3.18,;9.31,-5.76,;10.8,-5.36,;4.17,-4.08,;.9,-3.39,;.9,-4.93,;-.44,-5.7,;-1.15,.03,;-2.65,-.29,;-3.68,.86,;-3.21,2.32,;-1.7,2.64,;-.67,1.5,;-4.24,3.47,;-5.75,3.15,;-6.22,1.68,;-7.73,1.36,;-8.76,2.51,;-8.28,3.97,;-9.31,5.12,;-10.8,4.72,;-6.78,4.29,;-6.3,5.76,)|
CCNc1cc2n(nc(-c3cnn(C[C@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wD:25.31,14.14,(-6.52,-4.96,;-5.18,-4.19,;-3.85,-4.96,;-2.51,-4.19,;-2.51,-2.65,;-1.18,-1.88,;-.86,-.37,;.67,-.21,;1.3,-1.62,;2.8,-1.94,;3.95,-.91,;5.28,-1.68,;4.96,-3.18,;5.99,-4.33,;7.48,-3.93,;7.88,-2.44,;8.57,-5.02,;10.06,-4.62,;3.43,-3.34,;.15,-2.65,;.15,-4.19,;-1.18,-4.96,;-1.89,.77,;-3.4,.45,;-4.43,1.6,;-3.95,3.06,;-2.45,3.38,;-1.41,2.24,;-4.98,4.21,;-6.49,3.89,;-6.96,2.42,;-8.47,2.1,;-9.5,3.25,;-9.03,4.71,;-7.52,5.03,;-7.04,6.5,;-10.06,5.86,;-9.58,7.32,;-11.56,5.54,;-11.09,7,)|
CCNc1cc2n(nc(-c3cnn(C[C@@H](O)CO)c3)c2cn1)C1CC[C@@H](CC1)Oc1nccc(c1F)C(F)(F)F |r,wU:14.14,wD:25.31,(-6.52,-4.96,;-5.18,-4.19,;-3.85,-4.96,;-2.51,-4.19,;-2.51,-2.65,;-1.18,-1.88,;-.86,-.37,;.67,-.21,;1.3,-1.62,;2.8,-1.94,;3.95,-.91,;5.28,-1.68,;4.96,-3.18,;5.99,-4.33,;7.48,-3.93,;7.88,-2.44,;8.57,-5.02,;10.06,-4.62,;3.43,-3.34,;.15,-2.65,;.15,-4.19,;-1.18,-4.96,;-1.89,.77,;-3.4,.45,;-4.43,1.6,;-3.95,3.06,;-2.45,3.38,;-1.41,2.24,;-4.98,4.21,;-6.49,3.89,;-6.96,2.42,;-8.47,2.1,;-9.5,3.25,;-9.03,4.71,;-7.52,5.03,;-7.04,6.5,;-10.06,5.86,;-9.58,7.32,;-11.56,5.54,;-11.09,7,)|
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)c12
COCCOc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(NS(C)(=O)=O)cc3)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N(C)C)c12
COc1nc(Nc2ccc(CN3CCC(N)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N(C)C)c12
COc1nc(Nc2ccc(CN3CCOCC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N(C)C)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2F)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N(C)C)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4cc(C)ccn4)cc3F)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3cccc(CO)c3)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ncccc4C)cc3F)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3cccc(F)c3)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccccc3F)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(Cl)cc3)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)C(=O)N(C)C)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N(C)C)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(O)cc3)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3cccc(O)c3)c12
CCN1CCN(Cc2ccc(Nc3nc(OCCOC)c4c(c[nH]c4n3)-c3ccc(OCc4ccccn4)cc3F)cc2)CC1
COc1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(CN4CCN(C)CC4)cc3)nc(OC)c12
COc1cccc(c1)-c1c[nH]c2nc(Nc3ccc(CN4CCN(C)CC4)cc3)nc(OC)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)nc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N(C)C)c12
CSc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N(C)C)c12
COC(=O)c1cccc(c1)-c1c[nH]c2nc(Nc3ccc(CN4CCN(C)CC4)cc3)nc(OC)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)cc3F)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(NC(=O)c4cc(C)n(C)n4)cc3)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)nc2)nc2[nH]cc(-c3ccc(O)cc3)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(O)cc3)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3cccc(NC(=O)c4cc(C)n(C)n4)c3)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)cc3F)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccccc3C)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3cccc(C)c3)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(C)cc3)c12
COCCOc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ncccn4)cc3F)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3cccc(c3)N(C)C)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccccc3Cl)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3cccc(Cl)c3)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)cc3)c12
CCN1CCN(Cc2ccc(Nc3nc(OCCOC)c4c(c[nH]c4n3)-c3ccc(OCc4ncccn4)cc3F)cc2)CC1
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3cccc(c3)C(=O)N(C)C)c12
COc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(N)(=O)=O)c12
CCN1CCN(Cc2ccc(Nc3nc(OC)c4c(c[nH]c4n3)-c3ccc(O)cc3)cn2)CC1
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)nc3)c12
COc1cc(ccc1OCc1ccccc1)-c1c[nH]c2nc(Nc3ccc(CN4CCC(C)CC4)cc3)nc(OC)c12
CCN1CCN(Cc2ccc(Nc3nc(OC)c4c(c[nH]c4n3)-c3ccc(F)cc3F)cc2)CC1
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ccccc4)cc3F)c12
COc1cc(cc(OC)c1OC)-c1c[nH]c2nc(Nc3ccc(CN4CCN(C)CC4)cc3)nc(OC)c12
CCN1CCN(Cc2ccc(Nc3nc(OC)c4c(c[nH]c4n3)-c3ccc(O)cc3)cc2)CC1
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(C)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)c(Cl)c3)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)c(Cl)c3)c12
CN1CCN(Cc2ccc(Nc3nc(OCC4CCCO4)c4c(c[nH]c4n3)-c3ccc(F)cc3F)cc2)CC1
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)cc3F)c12
CCNc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)cc3F)c12
CN1CCN(Cc2ccc(Nc3nc(OC4CCCC4)c4c(c[nH]c4n3)-c3ccc(F)cc3F)cc2)CC1
CCN1CCN(Cc2ccc(Nc3nc(OC)c4c(c[nH]c4n3)-c3ccc(OCc4ccccc4)c(OC)c3)cc2)CC1
COCCOCOc1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(CN4CCN(C)CC4)cc3)nc(OC)c12
CCN1CCN(Cc2ccc(Nc3nc(OC)c4c(c[nH]c4n3)-c3ccc(F)c(Cl)c3)cc2)CC1
CCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)cc3F)c12
CNC(=O)c1cc(ccc1F)-c1c[nH]c2nc(Nc3ccc(CN4CCN(C)CC4)cc3)nc(OC)c12
CCN1CCN(Cc2ccc(Nc3nc(OC)c4c(c[nH]c4n3)-c3ccc(OCOCCOC)c(OC)c3)cc2)CC1
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3cnc(N)nc3)c12
COCC(C)Oc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc4nc(C)oc4c3)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc4[nH]c(C)nc(=O)c4c3)c12
CC1CCN(Cc2ccc(Nc3nc(-c4ccc(cc4)S(=O)(=O)N(C)C)c4c(c[nH]c4n3)-c3ccc(cc3)S(=O)(=O)N(C)C)cc2)CC1
CN1CCN(Cc2ccc(Nc3nc(OCC4CCCO4)c4c(c[nH]c4n3)-c3ccc4nc(C)oc4c3)cc2)CC1
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCn4ccccc4=O)cc3F)c12
CC(C)Oc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)cc3F)c12
COc1cc(ccc1OCc1ccccc1)-c1c[nH]c2nc(Nc3ccc(CN4CCN(C)CC4)cc3)nc(OC)c12
CCN1CCN(Cc2ccc(Nc3nc(OCCOC)c4c(c[nH]c4n3)-c3ccc(F)c(Cl)c3)cc2)CC1
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc4nc(C)oc4c3)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ccc(C)nc4)c(OC)c3)c12
CN1CCN(Cc2ccc(Nc3nc(NCC4CCOCC4)c4c(c[nH]c4n3)-c3ccc(F)cc3F)cc2)CC1
CN1CCN(Cc2ccc(Nc3nc(NC4CCOCC4)c4c(c[nH]c4n3)-c3ccc(F)cc3F)cc2)CC1
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(NC(=O)c4cc(C)n(C)n4)cc3)c12
CN1CCN(Cc2ccc(Nc3nc(OCC4CCCO4)c4c(c[nH]c4n3)-c3ccc(F)c(Cl)c3)cc2)CC1
COCCOc1nc(Nc2cccc(CN3CCN(C)CC3)c2)nc2[nH]cc(-c3ccc(F)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N(C)C)c12
COCCOc1nc(Nc2ccc(CN(C)C)cc2)nc2[nH]cc(-c3ccc(F)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)C#N)c12
COc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)C#N)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OC(F)(F)F)cc3)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)C(F)(F)F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(F)cc3)c12
CCN(CC)S(=O)(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(CN4CCN(C)CC4)cc3)nc(OCCOC)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N3CC(C)CC(C)C3)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N3CCOCC3)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)C(C)C)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ccccc4)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3F)S(=O)(=O)N(C)C)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ccccn4)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ccncc4)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N3CCC3)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4cccnc4)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(O)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc4n(C)ncc4c3)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N3CCCCC3)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4cnccc4OC)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4cncc(OC)c4)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc4c(CN(C)S4(=O)=O)n3)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)S(=O)(=O)N3CCN(C)CC3)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4cccc(C)n4)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4cccc(F)n4)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ccc(C)cn4)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(cc3)C(C)(C)O)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ncccn4)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4nccc(OCC(F)(F)F)c4C)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ccccn4)cc3F)c12
COCCOc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ccccn4)cc3)c12
COCCOc1nc(Nc2ccc(CN3CCC(C)CC3)cc2)nc2[nH]cc(-c3ccc(OCc4ncccc4C)cc3F)c12
CCN1CCN(Cc2ccc(Nc3nc(OCCOC)c4c(c[nH]c4n3)-c3ccc(OCc4ncccc4C)cc3F)cc2)CC1
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3)c12)[C@H]1CCC(O)CC1 |r,wU:32.36,(-6.21,-1.14,;-6.61,-2.63,;-8.07,-3.1,;-8.39,-4.61,;-7.25,-5.64,;-5.78,-5.16,;-4.45,-5.93,;-3.3,-4.9,;-3.93,-3.49,;-3.16,-2.16,;-1.62,-2.16,;-.85,-.83,;-1.62,.51,;-.85,1.84,;.69,1.84,;1.46,.51,;1.46,3.17,;.69,4.51,;1.46,5.84,;3,5.84,;3.77,4.51,;5.31,4.51,;6.08,3.17,;7.62,3.17,;8.39,4.51,;7.62,5.84,;6.08,5.84,;3,3.17,;3.77,1.84,;-3.16,.51,;-3.93,-.83,;-5.46,-3.66,;-4.05,-7.42,;-2.54,-7.74,;-2.07,-9.2,;-3.1,-10.35,;-2.62,-11.81,;-4.6,-10.03,;-5.08,-8.56,)|
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c12)C1CC[C@H](O)CC1 |r,wU:36.41,(-6.98,-.35,;-7.38,-1.84,;-8.84,-2.31,;-9.16,-3.82,;-8.02,-4.85,;-6.55,-4.37,;-5.22,-5.14,;-4.07,-4.11,;-4.7,-2.71,;-3.93,-1.37,;-2.39,-1.37,;-1.62,-.04,;-2.39,1.3,;-1.62,2.63,;-.08,2.63,;.69,1.3,;.69,3.96,;-.08,5.3,;.69,6.63,;2.23,6.63,;3,5.3,;4.54,5.3,;5.31,3.96,;6.85,3.96,;7.62,5.3,;9.16,5.3,;6.85,6.63,;5.31,6.63,;2.23,3.96,;3,2.63,;-3.93,1.3,;-4.7,-.04,;-6.23,-2.87,;-5.06,-6.67,;-6.3,-7.58,;-6.14,-9.11,;-4.73,-9.74,;-4.57,-11.27,;-3.49,-8.83,;-3.65,-7.3,)|
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)C1CC[C@H](O)CC1 |r,wU:36.41,(-6.98,-.35,;-7.38,-1.84,;-8.84,-2.31,;-9.16,-3.82,;-8.02,-4.85,;-6.55,-4.37,;-5.22,-5.14,;-4.07,-4.11,;-4.7,-2.71,;-3.93,-1.37,;-4.7,-.04,;-3.93,1.3,;-2.39,1.3,;-1.62,2.63,;-.08,2.63,;.69,1.3,;.69,3.96,;-.08,5.3,;.69,6.63,;2.23,6.63,;3,5.3,;4.54,5.3,;5.31,3.96,;6.85,3.96,;7.62,5.3,;6.85,6.63,;5.31,6.63,;2.23,3.96,;3,2.63,;-1.62,-.04,;-2.39,-1.37,;-1.62,-2.71,;-6.23,-2.87,;-5.06,-6.67,;-6.3,-7.58,;-6.14,-9.11,;-4.73,-9.74,;-4.57,-11.27,;-3.49,-8.83,;-3.65,-7.3,)|
Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c12)C1CC[C@H](O)CC1 |r,wU:37.42,(-6.98,-.35,;-7.38,-1.84,;-8.84,-2.31,;-9.16,-3.82,;-8.02,-4.85,;-6.55,-4.37,;-5.22,-5.14,;-4.07,-4.11,;-4.7,-2.71,;-3.93,-1.37,;-4.7,-.04,;-3.93,1.3,;-2.39,1.3,;-1.62,2.63,;-.08,2.63,;.69,1.3,;.69,3.96,;-.08,5.3,;.69,6.63,;2.23,6.63,;3,5.3,;4.54,5.3,;5.31,3.96,;6.85,3.96,;7.62,5.3,;9.16,5.3,;6.85,6.63,;5.31,6.63,;2.23,3.96,;3,2.63,;-1.62,-.04,;-2.39,-1.37,;-1.62,-2.71,;-6.23,-2.87,;-5.06,-6.67,;-6.3,-7.58,;-6.14,-9.11,;-4.73,-9.74,;-4.57,-11.27,;-3.49,-8.83,;-3.65,-7.3,)|
CC(C)C(=O)N1CCC(CC1)c1cc(c([nH]1)C(\N)=N/C=N)-c1ccc(NC(=O)c2cn(C(C)C)c(=O)n(-c3ccn(C)n3)c2=O)cc1
CC(C)C(=O)N1CCC(CC1)c1cc(c([nH]1)C(\N)=N/C=N)-c1ccc(NC(=O)c2cn(C(C)C)c(=O)n(C3CCCCC3)c2=O)cc1
CC(C)C(=O)N1CCC(CC1)c1cc(c([nH]1)C(\N)=N/C=N)-c1ccc(NC(=O)c2cn(C(C)C)c(=O)n(-c3cccc(c3)C#N)c2=O)cc1
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3ccc(-c4ccc(C)cn4)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C)c(C)c(-c4cccnc4)c3=O)cc2)c2c(N)ncnn12
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)C#N)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ncc(Cl)cc4F)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C)cn4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CCc1ccc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)nc1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)c(C)cn4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C)c(Cl)n4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cc4)C(F)(F)F)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4cccc(n4)C(F)(F)F)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)C(F)F)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(OC(F)(F)F)cn4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ncc(cc4F)C(F)(F)F)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C=O)cn4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)nc1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)C(C)(C)O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)C(N)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)C(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(N)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)N4CCOCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4cc(ccn4)N4CCOCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)-c4nccs4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)-n4ccnc4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc5cc[nH]c5n4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4cnc(cn4)C#N)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4cnc(C)cn4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CCc1cnc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)cn1
CCOc1cnc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)cn1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ncc(cn4)C(F)(F)F)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ncc(C)cn4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CCc1cnc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)nc1
COC(=O)Cc1csc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)n1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccn(n4)C(F)F)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
Fc1ccc(cc1)-n1c(=O)c(cn(C2CC2)c1=O)C(=O)Nc1ccc(Oc2ccnc(Nc3ccc(Cl)cn3)c2)c(F)c1
Cn1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC[C@@H](C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
CN(C)S(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)c4cn(C5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)nc1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccccc2)c1=O
CN(C)S(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)c4cn(C5CC5)c(=O)n(-c5ccccc5)c4=O)cc3F)ccn2)nc1
CN(C)S(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)nc1
COC[C@H](C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
CN(C)S(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)c4cn([C@@H]5CCOC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)nc1 |r|
CN(C)S(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)c4cn([C@H]5CCOC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)nc1 |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)cn2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(Cc2ccccc2)c1=O
CC(C)c1ccc(cc1)-n1c(=O)c(cn(C(C)C)c1=O)C(=O)Nc1ccc(Oc2ccnc(Nc3ccc(cn3)S(=O)(=O)N(C)C)c2)c(F)c1
CC(C)Cc1ccc(cc1)-n1c(=O)c(cn(C(C)C)c1=O)C(=O)Nc1ccc(Oc2ccnc(Nc3ccc(cn3)S(=O)(=O)N(C)C)c2)c(F)c1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(C2CCCCC2)c1=O
CC(C)N1C=C(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)C(=O)C(CC2CC2)C1=O |t:4|
C[C@H](CO)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(Cc2ccncc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(CCC3CC3)cc2)c1=O
COc1ccccc1Cc1ccc(cc1)-n1c(=O)c(cn(C(C)C)c1=O)C(=O)Nc1ccc(Oc2ccnc(Nc3ccc(cn3)S(=O)(=O)N(C)C)c2)c(F)c1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(Cc3ccc(F)cc3)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(C)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(cc2)C(C)=O)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(cc2)C(F)(F)F)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(Cl)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(cc2)-c2cccc(Cl)c2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2cccc(F)c2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)c(F)c2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2cccc(C)c2)c1=O
COc1cccc(c1)-n1c(=O)c(cn(C(C)C)c1=O)C(=O)Nc1ccc(Oc2ccnc(Nc3ccc(cn3)S(=O)(=O)N(C)C)c2)c(F)c1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2cccc(c2)C(F)(F)F)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2cccc(c2)C(C)=O)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N(C)C)c3)cc2)c(=O)n(-c2ccccc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N4CCCCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CNS(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)nc1
CC(C)NS(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)nc1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)NC4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)NC(C)(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N4CCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N4CC(O)C4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N4CC(C)(C)C4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N4CCOCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)S(=O)(=O)N4CCN(C)CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)c(cn4)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(NS(C)(=O)=O)cn4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)N4CCCC4=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)N4CCC(NC(=O)OC(C)(C)C)C4=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)N4CCC(N)C4=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)N4CCN(C4=O)C(C)(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)C(=O)NCC(C)(C)O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)C(=O)NCCN4CCOCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)NC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)nc1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)C(=O)NCC(F)F)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cn4)C(=O)NS(=O)(=O)C(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)N(C)C)c(n4)N4CCN(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(c(n4)N(C)C)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(c(n4)N4CCN(CC4)S(C)(=O)=O)S(=O)(=O)N(C)C)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COC(=O)N1CCN(CC1)c1nc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)ccc1S(=O)(=O)N(C)C
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCN(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCCC4)c3)c(F)c2)c(=O)n(c1=O)C12CC(C1)C2
Fc1ccc(cc1)-n1c(=O)c(cn(C2CC2)c1=O)C(=O)Nc1ccc(Oc2ccnc(Nc3ccnc(n3)N3CCCC3)c2)c(F)c1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCCC4)c3)c(F)c2)c(=O)n(Cc2ccccc2)c1=O
CC(C)Cn1c(=O)c(cn(C(C)C)c1=O)C(=O)Nc1ccc(Oc2ccnc(Nc3ccnc(n3)N3CCCC3)c2)c(F)c1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCCC4)c3)c(F)c2)c(=O)n(C(C)C)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCCC4)c3)c(F)c2)c(=O)n(C2CCCCC2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCCC4)c3)c(F)c2)c(=O)n(CC2CC2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCCC4)c3)c(F)c2)c(=O)n(CC2CCCCC2)c1=O
CS(=O)(=O)C1CCN(CC1)c1nccc(Nc2cc(Oc3ccc(NC(=O)c4cn(C5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)n1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCC(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(c1=O)C12CC(C1)C2
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCC(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(Nc4ccnc(n4)N4CCC(CC4)S(C)(=O)=O)ncc3C)cc2)c(=O)n(-c2ccccc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CCN(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CCCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CC[C@H](O)C4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
COC(=O)N1CCN(CC1)c1nc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)ccc1C#N
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CCC(O)CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COC1CCN(CC1)c1nc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)ccc1C#N
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CCC(O)(CC4)C(F)(F)F)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CCC(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CCC(C4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CCN([C@H](C)C4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CCN(CC4)S(N)(=O)=O)c3)c(F)c2)c(=O)n(Cc2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CCN(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(Cc2ccccc2)c1=O
COC(=O)N1CCN(CC1)c1nc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(Cc5ccccc5)c4=O)cc3F)ccn2)ccc1C#N
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CCC(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(Cc2ccccc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CCC(O)(CC4)C(F)(F)F)c3)c(F)c2)c(=O)n(Cc2ccccc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C#N)c(n4)N4CC[C@H](O)C4)c3)c(F)c2)c(=O)n(Cc2ccccc2)c1=O |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4nc(ccc4F)N4CCN(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)cc(n4)N4CCN(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ncc(C)c(n4)N4CCN(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(c(n4)N4CCN(CC4)S(C)(=O)=O)C(F)(F)F)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COC(=O)N1CCN(CC1)c1nc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)ccc1C(F)(F)F
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(c(n4)N4CCN(CC4)S(=O)(=O)N(C)C)C(F)(F)F)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COc1cc2ncnc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COc1cc2ncnc(Oc3ccc(NC(=O)c4c(OC)ccn(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ncnc3cc(OC)c4c(c23)OCCO4)c(F)c1
O=C(Nc1ccc(Oc2ncnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ncnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ncnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1
COc1cc2ncnc(Oc3ccc(NC(=O)c4ccn(-c5ccc(F)cc5C)n4)cc3F)c2c2c1OCCO2
COc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ncnc3cc(OC)c4c(c23)OCCO4)c(F)c1
CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ncnc3cc(OC)c4c(c23)OCCO4)c(F)c1
Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc(Oc3ncnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)c(F)c2)n1
COc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ncnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1
CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ncnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
Cn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COc1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4c(OC)ccn(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(OC2=CC=NC3=CC(OC)=C4OCCOC4C32)c(F)c1
O=C(Nc1ccc(OC2=CC=NC3=CC(OCCCN4CCOCC4)=C4OCCOC4C32)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1
COc1cc2nccc(Oc3ccc(NC(=O)c4ccn(-c5ccc(F)cc5C)n4)cc3F)c2c2c1OCCO2
COc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c4c(c23)OCCO4)c(F)c1
CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c4c(c23)OCCO4)c(F)c1
Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)c(F)c2)n1
COc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1
CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1
COc1cc2ncnc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
Cn1cc(C(=O)Nc2ccc(Oc3ncnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
O=C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(F)c1
COCCOc1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COCCOc1cc2nccc(Oc3ccc(NC(=O)c4c(OC)ccn(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCOC)c4c(c23)OCCO4)c(F)c1
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CCn7cc(C(=O)Nc5ccc(Oc3ccnc4cc(OCCCN1CCOCC1)c2OCCOc2c34)c(F)c5)c(=O)n(c6ccc(F)cc6)c7=O
Cn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COCCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COCCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCOC)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CCO)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COCCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CC(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CC5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C(C)=O)CC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCS(=O)(=O)CC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCCC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCO)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCO)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCOC)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCC#N)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCC#N)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCC(C)C)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCC4CC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCCCCN(C)C)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN(C)C)c4c(c23)OCCO4)c(F)c1
CCOc1cc2nccc(Oc3ccc(NC(=O)c4c(OCC)ccn(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC(C)C)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC4COC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC4CCOC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC4CCOCC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCC(C)(C)CC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCC(C)(N)CC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCC(C)(O)CC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN(C)CCOC)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN(C)C4CCC4)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c(Cl)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)cc1Cl
CN1CCN(CCCOc2cc3nccc(Oc4ccc(NC(=O)c5cn(C)c(=O)n(-c6ccc(F)cc6)c5=O)cc4F)c3c3c2OCCO3)CC1
CC(=O)N1CCN(CCCOc2cc3nccc(Oc4ccc(NC(=O)c5cn(C(C)C)c(=O)n(-c6ccc(F)cc6)c5=O)cc4F)c3c3c2OCCO3)CC1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCS(=O)(=O)CC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCO)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCO)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COCCCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCC#N)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCC#N)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
Cn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCC5CC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCCCCN(C)C)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CN(C)CCCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CC(C)Oc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC5COC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
Cn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC5CCOC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
Cn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC5CCOCC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCC(C)(C)CC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCC(C)(N)CC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCC(C)(O)CC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COCCN(C)CCCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN(C)C5CCC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)c(Cl)c2)c(=O)n(-c2ccc(F)cc2)c1=O
Cn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)cc2Cl)c(=O)n(-c2ccc(F)cc2)c1=O
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CCCO)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
C=CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CCF)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CCCN5CCOCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CC(=O)OC(C)(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CC(=O)O)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCC4(N)CC4)c4c(c23)OCCO4)c(F)c1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCC5(N)CC5)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(C)cc5)c4=O)cc3F)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(Cl)cc5)c4=O)cc3F)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5cccc(F)c5)c4=O)cc3F)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccccc5F)c4=O)cc3F)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(Cc5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CCOc1ccn(-c2ccc(C)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2cccc(F)c2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1cc(F)c(Oc2ccnc3cc(OC)c4c(c23)OCCO4)cc1Cl
COc1cc2nccc(Oc3cc(Cl)c(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CCOc1ccn(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c4c(c23)OCCO4)c(F)c1
COc1cc2nccc(Oc3cc(Cl)c(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
CCOc1ccn(C2CCCCC2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c4c(c23)OCCO4)c(F)c1
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCC(C)(C)O)c4c(c23)OCCO4)c(F)c1
Cn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)c5c(c34)OCCO5)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
COc1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)c(Cl)c3)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4c(OC)ccn(-c5ccc(C)cc5)c4=O)c(Cl)c3)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)c(Cl)c3)c2c2c1OCCO2
CCOc1ccn(-c2ccc(C)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c4c(c23)OCCO4)cc1Cl
CCOc1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)c(Cl)c3)c2c2c1OCCO2
CCOc1cc2nccc(Oc3ccc(NC(=O)c4c(OC)ccn(-c5ccc(F)cc5)c4=O)c(Cl)c3)c2c2c1OCCO2
CCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)c(Cl)c3)c2c2c1OCCO2
CCOc1cc2nccc(Oc3ccc(NC(=O)c4c(OCC)ccn(-c5ccc(F)cc5)c4=O)c(Cl)c3)c2c2c1OCCO2
N#CCCCOc1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)c(Cl)c3)c2c2c1OCCO2
COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCC#N)c4c(c23)OCCO4)cc1Cl
Cn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCC#N)c5c(c34)OCCO5)cc2Cl)c(=O)n(-c2ccc(F)cc2)c1=O
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCC#N)c4c(c23)OCCO4)cc1Cl
O=C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c4c(c23)OCCO4)cc1Cl)c1cccn(-c2ccc(F)cc2)c1=O
COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c4c(c23)OCCO4)cc1Cl
Cn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c5c(c34)OCCO5)cc2Cl)c(=O)n(-c2ccc(F)cc2)c1=O
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c4c(c23)OCCO4)cc1Cl
CC(C)(O)COc1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)c(Cl)c3)c2c2c1OCCO2
COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCC(C)(C)O)c4c(c23)OCCO4)cc1Cl
Cn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)c5c(c34)OCCC5)cc2Cl)c(=O)n(-c2ccc(F)cc2)c1=O
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCC(C)(C)O)c4c(c23)OCCO4)cc1Cl
O=C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)cc1Cl)c1cccn(-c2ccc(F)cc2)c1=O
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(C5CCCCC5)c4=O)cc3F)c2c2c1OCCO2
Cn1cc(C(=O)Nc2ccc(Oc3ccnc4ccc5c(c34)OCCO5)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
O=C(Nc1ccc(Oc2ccnc3ccc4c(c23)OCCO4)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
O=C(Nc1ccc(Oc2ccnc3ccc4c(c23)OCCO4)cc1F)c1cccn(-c2ccc(F)cc2)c1=O
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3ccc4c(c23)OCCO4)cc1F
COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3ccc4c(c23)OCCO4)cc1F
COc1cc2nccc(Oc3cc(C)c(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COCCOc1cc2nccc(Oc3cc(C)c(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(Cl)c(Cl)c5)c4=O)cc3F)c2cc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)c(Cl)c5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(Cl)c(Cl)c5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CCCC5)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CCCC5)c(C)c(-c5ccc(F)c(Cl)c5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccccc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5cccc(F)c5)c4=O)cc3F)c2nc1OC
COc1ccc(-c2c(C)n(C(C)C)cc(C(=O)Nc3ccc(Oc4ccnc5cc(OC)c(OC)nc45)c(F)c3)c2=O)cc1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccccc5)c4=O)cc3F)c2nc1OC
COc1ccc(-c2cn(C)cc(C(=O)Nc3ccc(Oc4ccnc5cc(OC)c(OC)nc45)c(F)c3)c2=O)cc1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5cccc(F)c5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccccc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5cccc(F)c5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccc(Cl)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccccc5)c4=O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccccc5)c4=O)cc3F)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CC5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cncc(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)cc(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CCCC5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5COC5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)(C)C)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(-c5ccn(C)n5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5(C(F)(F)F)CC5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc6cc5nccc(Oc4ccc(NC(=O)c3cn(c1cnn(C(F)F)c1)cc(c2ccc(F)cc2)c3=O)cc4F)c5nc6OC
COc6cc5nccc(Oc4ccc(NC(=O)c3cn(c1cc[nH]n1)cc(c2ccc(F)cc2)c3=O)cc4F)c5nc6OC
COc6cc5nccc(Oc4ccc(NC(=O)c3cn(c1cn[nH]c1)cc(c2ccc(F)cc2)c3=O)cc4F)c5nc6OC
CCn5cc(C(=O)Nc3ccc(Oc1ccnc2cc(OC)c(OC)nc12)c(F)c3)c(=O)c(c4ccc(F)cc4)c5C
COc1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
COc5ccc4nccc(Oc3ccc(NC(=O)c2c(C)nc(C)c(c1ccc(F)cc1)c2O)cc3F)c4n5
COCCOc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5C)c4O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(CO)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(CO)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(CF)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CC(F)(F)F)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
CNc1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)cn1C
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C#N)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(OC)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C(F)(F)F)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
COc5cnc4c(Oc3ccc(NC(=O)c2c(C)ncc(c1ccc(F)cc1)c2O)cc3F)ccnc4c5
COc5cc4nccc(Oc3ccc(NC(=O)c2c(C)n(C)cc(c1ccc(F)cc1)c2=O)cc3F)c4nc5OC
CCn5cc(c1ccc(F)cc1)c(=O)c(C(=O)Nc4ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c4)c5C
COc1cnc2c(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1ccc2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5C)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4cc(C(C)=O)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cc(C#N)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4n[nH]c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4n[nH]c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4n[nH]c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4nn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4nn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4ncc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4ncc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4nc(C)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4ncnc(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)ncn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
CNc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)c(=O)n1-c1ccc(F)cc1
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(N(C)C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c[nH]c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4c[nH]c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4c[nH]c(=S)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1ccc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
COc1ccc2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C
COc1ccc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2cc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
CCn5cc(C(=O)Nc3ccc(Oc1ccnc2cc(OC)c(OC)nc12)c(F)c3)c(=O)c(c4ccc(F)cc4)c5
COc5cc4nccc(Oc3ccc(NC(=O)c2cn(CCO)cc(c1ccc(F)cc1)c2=O)cc3F)c4nc5OC
COc5cc4nccc(Oc3ccc(NC(=O)c2cncc(c1ccc(F)cc1)c2O)cc3)c4nc5OC
COc5cc4nccc(Oc3ccc(NC(=O)c2cnc(C)c(c1ccc(F)cc1)c2O)cc3)c4nc5OC
COc1cnc2c(Oc3ccc(NC(=O)c4cncc(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc5cc4nccc(Oc3ccc(NC(=O)c2cn(C(C)C)cc(c1ccc(F)cc1)c2=O)cc3)c4nc5OC
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C(C)C)cc(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc6cc5nccc(Oc4ccc(NC(=O)c3cn(c1ccccn1)cc(c2ccc(F)cc2)c3=O)cc4F)c5nc6OC
COc6cc5nccc(Oc4ccc(NC(=O)c3cn(c1cccnc1)cc(c2ccc(F)cc2)c3=O)cc4F)c5nc6OC
COc5cc4nccc(Oc3ccc(NC(=O)c2cn(OC)cc(c1ccc(F)cc1)c2=O)cc3F)c4nc5OC
COc5cc4nccc(Oc3ccc(NC(=O)c2cn(OC)cc(c1ccc(F)cc1)c2=O)cc3)c4nc5OC
COc1cnc2c(Oc3ccc(NC(=O)c4cn(OC)cc(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc5nc4c(Oc3ccc(NC(=O)c2cncc(c1ccc(F)cc1)c2O)cc3F)ccnc4cc5Br
COc5nc4c(Oc3ccc(NC(=O)c2cnc(C)c(c1ccc(F)cc1)c2O)cc3F)ccnc4cc5Br
COc5nc4c(Oc3ccc(NC(=O)c2cn(C(C)C)cc(c1ccc(F)cc1)c2=O)cc3F)ccnc4cc5Br
COc5nc4c(Oc3ccc(NC(=O)c2cn(C(C)C)c(C)c(c1ccc(F)cc1)c2=O)cc3F)ccnc4cc5Br
CNn5cc(C(=O)Nc3ccc(Oc1ccnc2cc(OC)c(OC)nc12)c(F)c3)c(=O)c(c4ccc(F)cc4)c5
COc5cc4nccc(Oc3ccc(NC(=O)c2cn(N(C)C)cc(c1ccc(F)cc1)c2=O)cc3F)c4nc5OC
COC(=O)c1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
COc5cc4nccc(Oc3ccc(NC(=O)c2cn(C(C)(C)C)c(C)c(c1ccc(F)cc1)c2=O)cc3F)c4nc5OC
COc6cc5nccc(Oc4ccc(NC(=O)c3cn(c1cnn(C)c1)c(C)c(c2ccc(F)cc2)c3=O)cc4F)c5nc6OC
COc6cc5nccc(Oc4ccc(NC(=O)c3cn(c1cnn(C)c1)c(C)c(c2ccc(F)cc2)c3=O)cc4)c5nc6OC
COc5cc4nccc(Oc3ccc(NC(=O)c2cnc(C)c(c1ccc(F)cc1)c2O)cc3F)c4nc5Br
COc5cc4nccc(Oc3ccc(NC(=O)c2cn(C(C)C)c(C)c(c1ccc(F)cc1)c2=O)cc3F)c4nc5Br
COCCOc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)ccnc2cc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4cncc(-c5ccc(F)cc5)c4O)cc3)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(Br)cnc34)cc2)c(O)c1-c1ccc(F)cc1
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(C(F)(F)F)cnc34)cc2)c(O)c1-c1ccc(F)cc1
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(C(F)(F)F)cnc34)c(F)c2)c(O)c1-c1ccc(F)cc1
Cc1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(Oc3ccnc4cc(C(F)(F)F)cnc34)c(F)c2)cn1C(C)C
Cc1nc2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1Br
COc1cc2nccc(Oc3ccc(NC(=O)C4C(=O)C(c5ccc(F)cc5)=C(C)N=C4C)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C(C)(C)C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CCN5CCOCC5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(F)cnc34)c(F)c2)c(O)c1-c1ccc(F)cc1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cc(F)cnc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1
Cc1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(Oc3ccnc4cc(F)cnc34)c(F)c2)cn1C(C)C
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)cnc34)cc2)c(=O)c(-c2ccc(F)cc2)c1C
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)cnc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C(C)(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C(C)(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)cc2)c(=O)c(-c2ccc(F)cc2)c1
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)cc2)c(=O)c(-c2ccc(F)cc2)c1C
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)cnc34)cc2)c(=O)c(-c2ccc(F)cc2)c1
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)cnc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3)c2cc1OC
COc5ccc4nccc(Oc3ccc(NC(=O)c2cnc(C)c(c1ccc(F)cc1)c2O)cc3F)c4n5
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5C)c4O)cc3F)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5C)c4O)cc3F)ccnc2c1
CCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
CCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)cnc23)c(F)c1
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)ccnc2c1
CCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3ccc(OC)nc23)c(F)c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)c2n1
COCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
COCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)cnc23)cc1
COCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)cnc23)c(F)c1
COc1cnc2c(Oc3ccc(NC(=O)C4=CN(C)C(C)=C(c5ccc(F)cc5C)C4O)cc3)ccnc2c1
CCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)cnc23)cc1
COCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3ccc(OC)nc23)c(F)c1
COCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)cc1
COCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
COCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)cc1
COCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)cnc23)c(F)c1
COCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)cnc23)cc1
COCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3ccc(OC)nc23)c(F)c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3)c2nc1OC
CCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)cc1
COCCOc1nc2c(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OC
COCCOc1nc2c(Oc3ccc(NC(=O)c4c(COC)nc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1OC
COCCOc1nc2c(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)ccnc2cc1OC
COCCOc1nc2c(Oc3ccc(NC(=O)c4c(COC)nc(C)c(-c5ccc(F)cc5C)c4O)cc3F)ccnc2cc1OC
CCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
CCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)cc1
CCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)cnc23)c(F)c1
CCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)cnc23)cc1
CCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3ccc(OC)nc23)c(F)c1
COc1cnc2c(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cnc(CO)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cnc(CO)c(-c5ccc(F)cc5)c4O)cc3)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5C)c4=O)cc3F)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(CO)c(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C)c(CO)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C)c(CO)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4cn(C)c(CO)c(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5C)c4=O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5C)c4=O)cc3)ccnc2c1
COCCOc1nc2c(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OC
COCCOc1nc2c(Oc3ccc(NC(=O)c4cn(C)c(CO)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4n[nH]c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)c2n1
COc1ccc2nccc(Oc3ccc(NC(=O)c4cnc(CO)c(-c5ccc(F)cc5)c4O)cc3F)c2n1
COc1ccc2nccc(Oc3ccc(NC(=O)c4cnc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)ncn(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)ncc(-c5ccc(F)cc5)c4O)cc3)c2nc1OC
COc5cnc4c(Oc3ccc(NC(=O)c2c(C)ncc(c1ccc(F)cc1)c2O)cc3)ccnc4c5
COc5cc4nccc(Oc3ccc(NC(=O)c2c(C)ncc(c1ccc(F)cc1)c2O)cc3F)c4nc5OC
COc5cc4nccc(Oc3ccc(NC(=O)c2c(C)n(C)cc(c1ccc(F)cc1)c2=O)cc3)c4nc5OC
COc5cnc4c(Oc3ccc(NC(=O)c2c(C)n(C)cc(c1ccc(F)cc1)c2=O)cc3F)ccnc4c5
CCn5cc(c1ccc(F)cc1)c(=O)c(C(=O)Nc4ccc(Oc2ccnc3cc(OC)cnc23)c(F)c4)c5C
COc1cnc2c(Oc3ccc(NC(=O)c4cnc(C(F)(F)F)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)ncc(-c5ccc(F)cc5)c4O)cc3F)c2n1
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)cc(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cnc2c(Oc3ccc(NC(=O)c4n[nH]c(C)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4n[nH]c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4n[nH]c(C)c(-c5ccc(F)cc5C)c4=O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4n[nH]c(C)c(-c5ccc(F)cc5C)c4=O)cc3)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4n[nH]c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4nnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4nnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4nn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4nn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COCCOc1nc2c(Oc3ccc(NC(=O)c4n[nH]c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)ccnc2cc1OC
COc4ccc(C(=O)Nc3ccc(Oc1ccnc2cc(C)c(C)nc12)c(F)c3)c(=O)n4c5ccc(F)cc5
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)ncn(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)ncn(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)nc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)nc(C)n(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CC(F)(F)F)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CC(F)(F)F)c(C)c(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4cn(CC(F)(F)F)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4ncc(C)n(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4ncc(C)n(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4ncc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cnc2c(Oc3ccc(NC(=O)c4cnc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cnc(C)n(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)n(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5c(C)cc(F)cc5C)c4=O)cc3F)c2nc1OC
COCc1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)cn1C
COCc1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)cnc34)c(F)c2)cn1C
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1CO
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)cc2)c(=O)c(-c2ccc(F)cc2)c1CO
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)cnc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1CO
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)cnc34)cc2)c(=O)c(-c2ccc(F)cc2)c1CO
Cc1ccc(C(=O)Nc2ccc(Oc3ccnc4cc(OCc5ccccc5)cnc34)c(F)c2)c(=O)n1-c1ccc(F)cc1
COc1ccc2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5C)c4=O)cc3)c2n1
Cc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCc4ccccc4)cnc23)c(F)c1
Cc1nc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCc4ccccc4)cnc23)c(F)c1
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)cc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)cc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)cc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(CO)c(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)c(=O)c(-c2ccc(F)cc2C)c1CO
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)cc2)c(=O)c(-c2ccc(F)cc2C)c1CO
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)cnc34)c(F)c2)c(=O)c(-c2ccc(F)cc2C)c1CO
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)ccn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)ccn(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)cc(C)n(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)cc(C)n(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)cc(C)n(-c5ccc(F)cc5)c4=O)cc3)c2n1
COc1cnc2c(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)ccn(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
Cc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cccnc23)c(F)c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)cc(C)n(-c5ccc(F)cc5C)c4=O)cc3F)c2n1
Cc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)cc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)cc(C)n(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)ccn(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)ccn(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COCc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)c(O)c1-c1ccc(F)cc1
Cc1ccc(C(=O)Nc2ccc(Oc3ccnc4cccnc34)c(F)c2)c(=O)n1-c1ccc(F)cc1
Cc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cccnc23)c(F)c1
O=C(Nc1ccc(Oc2ccnc3cccnc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)c(Br)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)c(C)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)c(Cl)c(C)n(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)c(Cl)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)c(Cl)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)c(Cl)c(C)n(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4c[nH]c(=O)n(-c5ccc(F)cc5)c4=O)cc3)c2n1
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3)c2n1
COc1ccc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)c2n1
COc1ccc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3)c2n1
COc1ccc2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(NC(=O)OC(C)(C)C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2c1
COCCOc1ccc2nccc(Oc3ccc(NC(=O)C4=CN=C(C)C(c5ccc(F)cc5)C4O)cc3F)c2n1
COCCOc1ccc2nccc(Oc3ccc(NC(=O)C4=C(C)N=C(C)C(c5ccc(F)cc5)C4O)cc3F)c2n1
COCCOc1ccc2nccc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2n1
Cc1ccc(C(=O)Nc2ccc(Oc3ccnc4ccc(OCCN5CCOCC5)nc34)c(F)c2)c(=O)n1-c1ccc(F)cc1
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4ccc(OCCN5CCOCC5)nc34)c(F)c2)c(O)c1-c1ccc(F)cc1
Cc1ccc(C(=O)Nc2ccc(Oc3ccnc4ccc(OCCN(C)C)nc34)c(F)c2)c(=O)n1-c1ccc(F)cc1
Cc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3ccc(OCCN(C)C)nc23)c(F)c1
Cc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3ccc(OCCN4CCOCC4)nc23)c(F)c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4ccc(CO)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4nn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
CCOc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cc(Br)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
C=C(C)c1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1C
COc1cc2nccc(Oc3ccc(NC(=O)c4cc(C(C)C)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
CCOc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c(C)n1C
COc1cc2nccc(Oc3ccc(NC(=O)c4cc(C)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
CCOc1c(C)cn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
COc1cc2nccc(Oc3ccc(NC(=O)c4c(OC)c(C)cn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)C4=C5CCCN5CC(c5ccc(F)cc5)C4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)C4=C5CCCN5CC(c5ccc(F)cc5)C4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)C4=C5CCCN5CC(c5ccc(F)cc5)C4=O)cc3F)c2nc1OC
CNC(=O)Cc1cc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1OC
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cnn(C(F)F)c5)ccc34)cc2)c(O)c1-c1ccc(F)cc1
COc1ccc2nccc(Oc3ccc(NC(=O)c4ncc(C)n(-c5ccc(F)cc5)c4=O)cc3)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4nccn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4nccn(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COc1cnc2c(Oc3ccc(NC(=O)c4nccn(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4nccn(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1ccc2nccc(Oc3ccc(NC(=O)c4nccn(-c5ccc(F)cc5)c4=O)cc3)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4nccn(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4cnc(C)n(-c5ccc(F)cc5)c4=O)cc3)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3Cl)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)c(F)c3)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)c(F)c3F)c2nc1OC
COc1cc2nccc(Oc3cc(F)c(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3c(F)cc(NC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4ncc(C)n(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4ncc(C)n(-c5ccc(F)cc5C)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ncc(NC(=O)c4cn(C5CC5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC
COc1cc2nccc(Oc3ncc(NC(=O)c4cn(C5CN(C)C5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC
COc1cc2nccc(Oc3ncc(NC(=O)c4cn(-c5cnn(C)c5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC
COc1cc2nccc(Oc3ncc(NC(=O)c4cn(-c5ccn(C)n5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC
CCOc1c(-c2ccc(F)cc2)cnc(C)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
COc6cc5nccc(Oc4ccc(NC(=O)c3c1CCCn1cc(c2ccc(F)cc2)c3=O)cc4F)c5nc6OC
COc6cnc5c(Oc4ccc(NC(=O)c3c1CCCn1cc(c2ccc(F)cc2)c3=O)cc4F)ccnc5c6
COc6cc5ncnc(Oc4ccc(NC(=O)c3c1CCCn1cc(c2ccc(F)cc2)c3=O)cc4F)c5nc6OC
COc6cc5nccc(Oc4ccc(NC(=O)c3c1CCCn1cc(c2ccc(F)cc2)c3=O)cc4)c5nc6OC
CNC(=O)c6cc5c(Oc4ccc(NC(=O)c3c1CCCn1cc(c2ccc(F)cc2)c3=O)cc4F)ccnc5cc6OC
COc6cc5nccc(Oc4ccc(NC(=O)c3c1CCCn1cc(c2ccc(F)cc2)c3=O)cc4F)c5cc6OC
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(O)cnc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C)c(Cl)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(Cl)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3)c2nc1OC(C)C
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3)c2nc1OC(C)C
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC(C)C
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)c2nc1OC(C)C
COc1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5c(C)cc(F)cc5C)c4O)cc3F)ccnc2c1
CCc1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
CCc1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)ccnc2c1
CCc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
CCc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)c2nc1OC
C=Cc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
C=Cc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OCCCN1CCOCC1
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)c2nc1OCCCN1CCOCC1
Cc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1F
Cc1cc(F)ccc1-c1c(C)ncc(C(=O)Nc2ccc(Oc3ccnc4cc(C)c(F)nc34)c(F)c2)c1O
Cc1cc(F)ccc1-c1c(C)nc(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(C)c(F)nc34)c(F)c2)c1O
Cc1cc(F)ccc1-c1c(C)n(C)cc(C(=O)Nc2ccc(Oc3ccnc4cc(C)c(F)nc34)c(F)c2)c1=O
Cc1cc(F)ccc1-c1c(C)nnc(C(=O)Nc2ccc(Oc3ccnc4cc(C)c(F)nc34)c(F)c2)c1O
COc1nc2c(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1O
COCCOc1cc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CC5)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CC5)c(C)c(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4cn(C5CC5)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2n1
COCCOc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1C
COCCOc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3)ccnc2cc1C
Cc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OCCCN1CCOCC1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CC5)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CC5)c(C)c(-c5ccc(F)cc5C)c4=O)cc3)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4cn(C5CC5)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)nc(OC)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)nc(O)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)nc(OC)c(-c5ccc(F)cc5)c4OC)cc3F)c2nc1OC
C=C(C)c1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3)ccnc2c1
C=C(C)c1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)c2nc1OC
C=C(C)c1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)ccnc2c1
C=C(C)c1cnc2c(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
C=C(C)c1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
C=C(C)c1cc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
C=C(C)c1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3)ccnc2c1
C=C(C)c1cnc2c(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3)ccnc2c1
C=C(C)c1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
C=C(C)c1cnc2c(Oc3ccc(NC(=O)C4=C(C)C=C(C)N(c5ccc(F)cc5)C4=C)cc3F)ccnc2c1
COc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1C
COc1nc2c(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1C
COc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)ccnc2cc1C
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)ncc(-c5ccc(F)cc5C)c4O)cc3F)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)ncc(-c5ccc(F)cc5C)c4O)cc3F)c2n1
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)cc(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
COCCOc1cc2nccc(Oc3ccc(NC(=O)c4c(COC)nc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)cc(-c5ccc(F)cc5C)c4=O)cc3F)c2n1
COc1cc2c(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cn1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)cc(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
CCc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)c(O)c1-c1ccc(F)cc1
Cc1cc(F)ccc1-c1c(C)nc(C)c(C(=O)Nc2ccc(Oc3ccnc4cccnc34)c(F)c2)c1O
Cc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5C)c4O)cc3F)c2n1
Cc1ccc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5C)c4O)cc3)c2n1
COc1cnc2c(Oc3ccc(NC(=O)c4c(C)n(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
CCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3ccc(OC)nc23)cc1
COCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3ccc(OC)nc23)cc1
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4nn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4nn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4nn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4nnc(C)c(-c5ccc(F)cc5)c4OC)cc3)ccnc2c1
COCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3ccc(OC)nc23)cc1
COc1cc2nccc(Oc3ccc(NC(=O)c4nn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5CO)c4O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cc(C)nn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cc(C)nn(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4cc(C)nn(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cc(C)nn(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)c(C)nn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COCc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3ccc(OC)cc23)c(F)c1
CCc1nc(C)c(-c2ccc(F)cc2C)c(O)c1C(=O)Nc1ccc(Oc2ccnc3ccc(OC)nc23)cc1
COc1cc2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5C)c4=O)cc3)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5C)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5C)c4=O)cc3)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(SC(C)C)n(-c5ccc(F)cc5)c4=O)cc3)c2cc1OC
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1C
COc1cc2nccc(Oc3cc(F)c(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1C
CNc1cccc2c(Oc3ccc(NC(=O)c4cnc(C)n(-c5ccc(F)cc5)c4=O)cc3)ccnc12
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(COC(C)=O)c(-c5ccc(F)cc5)c4O)cc3F)c2nc1OC
Cc1ccc(C(=O)Nc2ccc(Oc3ccnc4cc(O)cnc34)c(F)c2)c(=O)n1-c1ccc(F)cc1
COCCOc1cnc2c(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(C(=O)O)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
Cc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(O)cnc23)c(F)c1
COCCOc1cnc2c(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(CF)c(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
COCCOc1nc2c(Oc3ccc(NC(=O)c4cn(C)c(CF)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OC
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)cc2)c(=O)c(-c2ccc(F)cc2)c1CF
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)cnc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1CF
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(CF)c(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
COc1ccc2nccc(Oc3ccc(NC(=O)c4cn(C)c(CF)c(-c5ccc(F)cc5)c4=O)cc3F)c2n1
CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1CF
CNC(=O)c1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)cn1C
COc1cc2nccc(Oc3ccc(NC(=O)c4cnc(N)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cnc2c(Oc3ccc(NC(=O)c4nn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4nnc(C)c(-c5ccc(F)cc5)c4OC(C)C)cc3F)ccnc2c1
CCn1nc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C
CCOc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)c(F)c2)nnc(C)c1-c1ccc(F)cc1
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(C(N)=O)cnc34)c(F)c2)c(O)c1-c1ccc(F)cc1
CNC(=O)c1cnc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2c1
COc5cc4nccc(Oc3ccc(NC(=O)c2cn(C(C)C)c(C)c(c1ccc(F)cc1)c2=O)cc3F)c4nc5N
COc5cc4nccc(Oc3ccc(NC(=O)c2cn(C(C)C)c(C)c(c1ccc(F)cc1)c2=O)cc3F)c4nc5O
COc5cc4nccc(Oc3ccc(NC(=O)c2cn(C(C)C)c(C)c(c1ccc(F)cc1)c2=O)cc3F)c4nc5NS(C)(=O)=O
CNc5nc4c(Oc3ccc(NC(=O)c2cn(C(C)C)c(C)c(c1ccc(F)cc1)c2=O)cc3F)ccnc4cc5OC
COc5cc4nccc(Oc3ccc(NC(=O)c2cn(C(C)C)c(C)c(c1ccc(F)cc1)c2=O)cc3F)c4nc5N(C)C
COc5cc4nccc(Oc3ccc(NC(=O)c2cnc(C)c(c1ccc(F)cc1)c2O)cc3F)c4nc5NS(C)(=O)=O
CNc1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)cnc34)c(F)c2)cn1C
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C)c(C#N)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cnc2c(Oc3ccc(NC(=O)c4cn(C)c(OC)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
CCc1nc2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OC
CCc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1OC
COc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1C(C)C
COc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5C)c4O)cc3F)ccnc2cc1C(C)C
COc1nc2c(Oc3ccc(NC(=O)c4c(C)nc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1C(C)C
Cc1cc(F)ccc1-c1c(C)ncc(C(=O)Nc2ccc(Oc3ccnc4cc(C(C)C)cnc34)c(F)c2)c1O
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(C(C)C)cnc34)cc2)c(O)c1-c1ccc(F)cc1
Cc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(C(C)C)cnc23)c(F)c1
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(C(C)C)cnc34)c(F)c2)c(O)c1-c1ccc(F)cc1
Cc1cc(F)ccc1-c1c(C)ncc(C(=O)Nc2ccc(Oc3ccnc4cc(C(C)C)cnc34)cc2)c1O
Cc1nc(C)c(-c2ccc(F)cc2)c(O)c1C(=O)Nc1ccc(Oc2ccnc3cc(C(C)C)cnc23)cc1
COc1nc2c(Oc3ccc(NC(=O)c4cn(C(C)C)cc(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1-c1cccnc1
COc1nc2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1-c1cccnc1
COc1nc2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1-c1cnn(C(F)F)c1
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cnn(C(F)F)c5)cnc34)c(F)c2)c(O)c1-c1ccc(F)cc1
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cnn(C(F)F)c5)cnc34)cc2)c(O)c1-c1ccc(F)cc1
Cc1nc2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2cc1-c1cnn(C(F)F)c1
Cc1nc2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2cc1-c1cccnc1
Cc1nc2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1-c1cnn(C(F)F)c1
Cc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1-c1cnn(C(F)F)c1
Cc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3)ccnc2cc1-c1cccnc1
Cc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3)ccnc2cc1-c1cnn(C(F)F)c1
Cc1nc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cc1-c1cccnc1
COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CCO)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
Cc1nc2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1-c1cccnc1
COc1cnc2c(Oc3ccc(NC(=O)c4cn(CCO)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
COc1cc2ncnc(Oc3ccc(NC(=O)c4cn(C(C)C)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2ncnc(Oc3ccc(NC(=O)c4cn(-c5cnn(C)c5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
COc1cc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cn1
COc1cc2c(Oc3ccc(NC(=O)c4cn(C5CC5)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cn1
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cnc(Cl)cc34)c(F)c2)c(O)c1-c1ccc(F)cc1
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cnccc34)c(F)c2)c(O)c1-c1ccc(F)cc1
Cc1ncc(C(=O)Nc2ccc(Oc3ccnc4cnccc34)cc2)c(O)c1-c1ccc(F)cc1
COc1cc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3)ccnc2cn1
Cc1cc2c(Oc3ccc(NC(=O)c4cnc(C)c(-c5ccc(F)cc5)c4O)cc3F)ccnc2cn1
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|
OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|
CNc1ncc2c(nn(CC3CCCC3)c2n1)-c1ccc(nc1)N1CCN(CC1)C(=O)C(C)(C)C
CNc1ncc2c(nn(CC3OCCO3)c2n1)-c1ccc(OC)cc1
CCCCNc1ncc2c(nn(c2n1)CC3CCC(CC3)N)c4ccc(cc4)F
CCN1CCN(CC1)c1ccc(cn1)-c1nn(CC2CCCC2)c2nc(NC)ncc12
CNc1ncc2c(nn(Cc3cn(Cc4ccccc4)nn3)c2n1)-c1ccc(cc1)N1CCNCC1
CNc1ncc2c(nn(CC3CCCC3)c2n1)-c1ccc(nc1)N1CCN(C)CC1
Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1 |r|
CNc1ncc2c(nn(Cc3cn(Cc4ccccc4)nn3)c2n1)-c1ccc(nc1)N1CCN(CC1)C(=O)C(C)(C)C
CNc1ncc2c(nn(Cc3cn(Cc4ccccc4)nn3)c2n1)-c1ccc(nc1)N1CCN(C)CC1
CNc1ncc2c(nn(Cc3cn(nn3)-c3ccsc3C(=O)OC)c2n1)-c1ccc(nc1)N1CCNCC1
CNc1ncc2c(nn(Cc3cn(Cc4ccccc4)nn3)c2n1)-c1ccc(nc1)N1CCNCC1
CNc1ncc2c(nn(CC3CCCC3)c2n1)-c1ccc(nc1)N1CCNCC1
CNc1ncc2c(nn(CC3CCCC3)c2n1)-c1ccc(cc1)N1CCN(C)CC1
CCN1CCN(CC1)c1ccc(cn1)-c1nn(Cc2cn(Cc3ccccc3)nn2)c2nc(NC)ncc12
CNc1ncc2c(nn(CC3OCCO3)c2n1)-c1ccc(nc1)N1CCNCC1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]cnc34)c(F)c2)c1=O
Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3c(Br)cnc4[nH]cnc34)c(F)c2)c1=O
Cc1cnc2[nH]cnc2c1Oc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc1F
CC(C)c1nc2c(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)ccnc2[nH]1
CCC(C)CNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,(15.26,-22.05,;16.59,-21.28,;17.93,-22.05,;17.93,-23.59,;19.26,-21.28,;20.59,-22.05,;21.93,-21.28,;21.93,-19.74,;23.26,-18.97,;24.6,-19.73,;26.07,-19.25,;26.98,-20.51,;26.07,-21.76,;26.82,-23.11,;28.36,-23.13,;29.1,-24.48,;28.3,-25.8,;29.04,-27.15,;26.76,-25.77,;26.02,-24.42,;24.6,-21.28,;23.26,-22.06,;26.78,-17.89,;28.32,-17.83,;29.04,-16.47,;28.21,-15.17,;28.92,-13.8,;30.46,-13.73,;31.29,-15.04,;32.82,-14.98,;33.54,-13.61,;35.07,-13.55,;32.71,-12.31,;31.17,-12.37,;26.66,-15.24,;25.96,-16.6,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc2nc(C)oc2c1 |r,wU:13.12,wD:16.16,3.3,(22.59,-26.46,;23.93,-25.69,;25.26,-26.47,;26.59,-25.7,;26.59,-24.16,;27.93,-26.47,;29.26,-25.7,;29.26,-24.15,;30.59,-23.38,;31.93,-24.15,;33.4,-23.67,;34.31,-24.92,;33.4,-26.18,;34.15,-27.52,;35.69,-27.54,;36.43,-28.9,;35.63,-30.22,;36.37,-31.57,;34.09,-30.18,;33.35,-28.84,;31.93,-25.7,;30.59,-26.47,;34.11,-22.3,;35.65,-22.25,;36.37,-20.88,;35.54,-19.57,;35.94,-18.08,;34.65,-17.23,;34.57,-15.7,;33.44,-18.2,;33.99,-19.65,;33.29,-21.01,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1CCOCC1 |r,wU:13.12,wD:16.16,3.3,(2.67,-16.49,;4.01,-15.73,;5.34,-16.5,;6.68,-15.73,;6.68,-14.19,;8.01,-16.5,;9.34,-15.73,;9.35,-14.19,;10.67,-13.42,;12.01,-14.18,;13.48,-13.7,;14.4,-14.95,;13.49,-16.21,;14.23,-17.55,;15.77,-17.57,;16.51,-18.93,;15.71,-20.25,;16.45,-21.6,;14.17,-20.21,;13.43,-18.87,;12.01,-15.73,;10.68,-16.5,;14.2,-12.34,;15.74,-12.28,;16.45,-10.91,;15.63,-9.61,;14.08,-9.68,;13.37,-11.04,;16.34,-8.25,;17.88,-8.19,;18.6,-6.83,;17.78,-5.53,;16.23,-5.59,;15.51,-6.95,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CNCCN(CC)CC)cc1 |r,wU:13.12,wD:16.16,3.3,(2.68,-16.5,;4.01,-15.73,;5.34,-16.5,;6.68,-15.73,;6.68,-14.19,;8.01,-16.5,;9.34,-15.73,;9.35,-14.19,;10.67,-13.42,;12.01,-14.18,;13.49,-13.7,;14.4,-14.95,;13.49,-16.21,;14.23,-17.55,;15.77,-17.58,;16.51,-18.93,;15.71,-20.25,;16.46,-21.6,;14.17,-20.21,;13.44,-18.87,;12.01,-15.73,;10.68,-16.5,;14.2,-12.34,;15.74,-12.28,;16.45,-10.91,;15.63,-9.61,;16.34,-8.25,;17.89,-8.19,;18.71,-9.49,;20.25,-9.43,;21.07,-10.73,;20.36,-12.09,;18.82,-12.15,;22.61,-10.66,;23.33,-9.3,;14.08,-9.68,;13.37,-11.05,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cccc(CN2CCN(C)CC2)c1 |r,wU:13.12,wD:16.16,3.3,(4.25,-14.92,;5.58,-14.15,;6.91,-14.93,;8.25,-14.16,;8.25,-12.62,;9.58,-14.93,;10.91,-14.16,;10.92,-12.61,;12.25,-11.84,;13.58,-12.61,;15.06,-12.13,;15.97,-13.38,;15.06,-14.64,;15.8,-15.98,;17.34,-16,;18.08,-17.36,;17.29,-18.68,;18.03,-20.03,;15.75,-18.64,;15.01,-17.3,;13.58,-14.16,;12.25,-14.93,;15.77,-10.76,;14.94,-9.47,;15.65,-8.11,;17.2,-8.04,;18.02,-9.34,;19.56,-9.28,;20.39,-10.58,;19.66,-11.95,;20.48,-13.25,;22.02,-13.19,;22.84,-14.49,;22.74,-11.83,;21.92,-10.52,;17.31,-10.71,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccnc(c1)N1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(4.25,-14.92,;5.58,-14.16,;6.91,-14.93,;8.25,-14.16,;8.25,-12.62,;9.58,-14.93,;10.91,-14.16,;10.92,-12.61,;12.25,-11.84,;13.58,-12.61,;15.06,-12.13,;15.97,-13.38,;15.06,-14.64,;15.8,-15.98,;17.34,-16,;18.08,-17.36,;17.29,-18.68,;18.03,-20.03,;15.75,-18.64,;15.01,-17.3,;13.58,-14.16,;12.25,-14.93,;15.77,-10.76,;14.94,-9.47,;15.65,-8.11,;17.2,-8.04,;18.02,-9.34,;17.31,-10.71,;19.56,-9.28,;20.38,-10.58,;21.91,-10.52,;22.64,-9.16,;21.81,-7.86,;20.27,-7.91,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccnc(c1)C(=O)OC |r,wU:13.12,wD:16.16,3.3,(1.51,-9.85,;2.84,-9.08,;4.18,-9.86,;5.51,-9.09,;5.51,-7.55,;6.84,-9.86,;8.18,-9.09,;8.18,-7.54,;9.51,-6.77,;10.84,-7.54,;12.32,-7.06,;13.23,-8.31,;12.32,-9.57,;13.07,-10.91,;14.6,-10.93,;15.35,-12.29,;14.55,-13.61,;15.29,-14.96,;13.01,-13.57,;12.27,-12.23,;10.84,-9.09,;9.51,-9.86,;13.03,-5.69,;12.21,-4.4,;12.91,-3.04,;14.46,-2.97,;15.28,-4.27,;14.57,-5.63,;16.82,-4.21,;17.54,-2.84,;17.65,-5.51,;16.93,-6.87,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cnc(nc1)C1CC1 |r,wU:13.12,wD:16.16,3.3,(18.12,-11.66,;19.46,-10.89,;20.79,-11.66,;22.12,-10.89,;22.13,-9.35,;23.46,-11.66,;24.79,-10.89,;24.79,-9.35,;26.12,-8.58,;27.46,-9.34,;28.93,-8.86,;29.85,-10.12,;28.93,-11.37,;29.68,-12.71,;31.22,-12.74,;31.96,-14.09,;31.16,-15.41,;31.9,-16.76,;29.62,-15.38,;28.88,-14.03,;27.46,-10.89,;26.13,-11.66,;29.65,-7.5,;31.19,-7.44,;31.9,-6.08,;31.07,-4.77,;29.53,-4.84,;28.82,-6.21,;31.79,-3.41,;33.08,-2.59,;31.72,-1.88,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cnn(c1)C1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(3.25,-24.71,;4.58,-23.95,;5.92,-24.72,;7.25,-23.95,;7.25,-22.41,;8.58,-24.72,;9.92,-23.95,;9.92,-22.41,;11.25,-21.64,;12.59,-22.4,;14.06,-21.92,;14.97,-23.17,;14.06,-24.43,;14.81,-25.77,;16.34,-25.79,;17.09,-27.15,;16.29,-28.47,;17.03,-29.82,;14.75,-28.43,;14.01,-27.09,;12.59,-23.95,;11.25,-24.72,;14.77,-20.56,;14.08,-19.18,;15.18,-18.1,;16.55,-18.81,;16.29,-20.33,;17.92,-18.14,;19.2,-18.99,;20.58,-18.31,;20.68,-16.78,;19.4,-15.92,;18.01,-16.6,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1 |r,wU:13.12,30.35,wD:16.16,3.3,(-.72,-25.42,;.63,-24.65,;1.96,-25.42,;3.29,-24.65,;3.29,-23.11,;4.63,-25.42,;5.96,-24.65,;5.96,-23.11,;7.29,-22.34,;8.63,-23.1,;10.1,-22.62,;11.01,-23.88,;10.1,-25.13,;10.85,-26.47,;12.39,-26.5,;13.13,-27.85,;12.33,-29.17,;13.07,-30.52,;10.79,-29.14,;10.05,-27.79,;8.63,-24.65,;7.3,-25.42,;10.82,-21.26,;12.36,-21.2,;13.07,-19.84,;12.24,-18.53,;12.95,-17.17,;14.49,-17.1,;15.45,-18.3,;16.9,-17.76,;16.83,-16.22,;15.35,-15.81,;18.04,-15.26,;19.47,-15.83,;17.81,-13.74,;10.7,-18.6,;9.99,-19.97,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2C3CCC2CC3)cc1 |r,wU:13.12,wD:16.16,3.3,(1.56,-13,;2.9,-12.23,;4.23,-13,;5.56,-12.23,;5.57,-10.69,;6.9,-13,;8.23,-12.23,;8.23,-10.69,;9.56,-9.92,;10.9,-10.68,;12.37,-10.2,;13.29,-11.45,;12.37,-12.71,;13.12,-14.05,;14.66,-14.08,;15.4,-15.43,;14.6,-16.75,;15.34,-18.1,;13.06,-16.71,;12.32,-15.37,;10.9,-12.23,;9.57,-13,;13.09,-8.84,;14.63,-8.78,;15.34,-7.41,;14.51,-6.11,;15.23,-4.75,;16.76,-4.68,;19.39,-4.51,;20.2,-5.75,;19.01,-5.26,;18.13,-4.25,;18.77,-2.81,;19.88,-3.2,;12.97,-6.18,;12.26,-7.55,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1F)S(=O)(=O)N1CCN(C)CC1 |r,wU:13.12,wD:16.16,3.3,(.63,-11.6,;1.96,-10.83,;3.3,-11.6,;4.63,-10.83,;4.63,-9.29,;5.96,-11.6,;7.3,-10.83,;7.3,-9.29,;8.63,-8.52,;9.96,-9.28,;11.44,-8.8,;12.35,-10.05,;11.44,-11.31,;12.19,-12.65,;13.72,-12.67,;14.47,-14.03,;13.67,-15.35,;14.41,-16.7,;12.13,-15.31,;11.39,-13.97,;9.96,-10.83,;8.63,-11.6,;12.15,-7.44,;13.69,-7.38,;14.41,-6.01,;13.58,-4.71,;12.03,-4.78,;11.33,-6.15,;9.79,-6.21,;14.29,-3.34,;12.95,-2.57,;14.28,-1.8,;15.83,-3.28,;16.65,-4.59,;18.19,-4.53,;18.91,-3.16,;20.45,-3.1,;18.09,-1.86,;16.54,-1.92,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCCCC2)cc1 |r,wU:13.12,wD:16.16,3.3,(2.67,-16.49,;4.01,-15.72,;5.34,-16.49,;6.68,-15.72,;6.68,-14.19,;8.01,-16.5,;9.34,-15.73,;9.34,-14.18,;10.67,-13.41,;12.01,-14.18,;13.48,-13.7,;14.39,-14.95,;13.48,-16.2,;14.23,-17.55,;15.77,-17.57,;16.51,-18.93,;15.71,-20.24,;16.45,-21.59,;14.17,-20.21,;13.43,-18.87,;12.01,-15.73,;10.68,-16.5,;14.19,-12.33,;15.73,-12.27,;16.45,-10.91,;15.62,-9.61,;16.33,-8.24,;17.87,-8.18,;18.7,-9.48,;20.23,-9.42,;20.95,-8.06,;20.12,-6.76,;18.58,-6.82,;14.08,-9.68,;13.37,-11.04,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCOCC2)cc1 |r,wU:13.12,wD:16.16,3.3,(-2.13,-9.06,;-.79,-8.29,;.55,-9.06,;1.88,-8.29,;1.89,-6.75,;3.22,-9.06,;4.55,-8.29,;4.55,-6.75,;5.88,-5.98,;7.22,-6.74,;8.69,-6.26,;9.6,-7.52,;8.69,-8.77,;9.44,-10.11,;10.97,-10.14,;11.72,-11.49,;10.92,-12.81,;11.66,-14.16,;9.38,-12.77,;8.64,-11.43,;7.22,-8.29,;5.88,-9.06,;9.4,-4.9,;10.94,-4.84,;11.66,-3.48,;10.83,-2.18,;11.54,-.81,;13.08,-.74,;13.9,-2.05,;15.43,-1.99,;16.15,-.63,;15.33,.69,;13.79,.63,;9.28,-2.24,;8.58,-3.61,)|
CCCCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:15.14,wD:18.18,5.5,(16.65,-22.53,;17.99,-21.76,;19.32,-22.53,;20.65,-21.76,;21.99,-22.53,;23.32,-21.76,;23.32,-20.22,;24.65,-22.54,;25.99,-21.77,;25.99,-20.22,;27.32,-19.45,;28.65,-20.22,;30.13,-19.74,;31.04,-20.99,;30.13,-22.24,;30.88,-23.59,;32.41,-23.61,;33.16,-24.97,;32.36,-26.28,;33.1,-27.63,;30.82,-26.25,;30.08,-24.91,;28.66,-21.77,;27.32,-22.54,;30.84,-18.37,;32.38,-18.31,;33.1,-16.95,;32.27,-15.65,;32.98,-14.28,;34.52,-14.21,;35.34,-15.52,;36.88,-15.46,;37.6,-14.1,;39.13,-14.04,;36.77,-12.79,;35.23,-12.85,;30.72,-15.72,;30.02,-17.08,)|
CCC[C@H](Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1)C(F)(F)F |r,wU:12.11,3.39,wD:15.15,(14.82,-27.2,;16.16,-26.43,;17.49,-27.2,;18.82,-26.43,;20.16,-27.2,;21.49,-26.43,;21.49,-24.89,;22.82,-24.12,;24.16,-24.88,;25.63,-24.4,;26.55,-25.66,;25.63,-26.91,;26.38,-28.25,;27.92,-28.28,;28.66,-29.63,;27.86,-30.95,;28.6,-32.3,;26.32,-30.91,;25.58,-29.57,;24.16,-26.43,;22.83,-27.2,;26.35,-23.04,;27.89,-22.98,;28.6,-21.61,;27.77,-20.31,;28.49,-18.95,;30.02,-18.88,;30.85,-20.19,;32.38,-20.12,;33.1,-18.76,;34.64,-18.7,;32.27,-17.46,;30.73,-17.52,;26.23,-20.38,;25.52,-21.75,;18.83,-24.89,;20.16,-24.12,;17.49,-24.12,;18.81,-23.35,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(.92,-10.8,;2.25,-10.03,;3.58,-10.8,;4.92,-10.04,;4.92,-8.5,;6.25,-10.81,;7.59,-10.04,;7.59,-8.49,;8.92,-7.72,;10.25,-8.49,;11.73,-8.01,;12.64,-9.26,;11.73,-10.51,;12.47,-11.86,;14.01,-11.88,;14.75,-13.24,;13.96,-14.56,;14.7,-15.91,;12.42,-14.52,;11.68,-13.18,;10.25,-10.04,;8.92,-10.81,;12.44,-6.64,;13.98,-6.58,;14.69,-5.22,;13.87,-3.92,;14.58,-2.55,;16.12,-2.49,;16.94,-3.79,;18.47,-3.73,;19.19,-2.37,;20.73,-2.31,;18.37,-1.07,;16.82,-1.13,;12.32,-3.99,;11.62,-5.35,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(Oc2ccccc2)cc1 |r,wU:12.11,wD:15.15,(20.68,-20.42,;20.68,-21.96,;22.01,-22.74,;23.34,-21.97,;24.67,-22.74,;26,-21.97,;26,-20.42,;27.33,-19.65,;28.67,-20.42,;30.14,-19.94,;31.05,-21.19,;30.14,-22.45,;30.89,-23.79,;32.43,-23.81,;33.17,-25.17,;32.37,-26.48,;33.11,-27.83,;30.83,-26.45,;30.09,-25.11,;28.67,-21.97,;27.34,-22.74,;30.85,-18.57,;32.39,-18.52,;33.11,-17.15,;32.28,-15.85,;32.99,-14.48,;34.53,-14.42,;35.34,-15.72,;36.88,-15.66,;37.6,-14.29,;36.77,-12.99,;35.23,-13.05,;30.74,-15.92,;30.03,-17.28,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCNCC2)cc1 |r,wU:12.11,wD:15.15,(20.69,-20.42,;20.68,-21.96,;22.01,-22.74,;23.34,-21.97,;24.67,-22.74,;26.01,-21.97,;26.01,-20.43,;27.34,-19.66,;28.67,-20.42,;30.15,-19.94,;31.06,-21.2,;30.15,-22.45,;30.89,-23.79,;32.43,-23.82,;33.17,-25.17,;32.37,-26.49,;33.12,-27.84,;30.84,-26.45,;30.1,-25.11,;28.67,-21.97,;27.34,-22.74,;30.86,-18.58,;32.4,-18.52,;33.11,-17.16,;32.29,-15.85,;32.99,-14.49,;34.53,-14.42,;35.35,-15.72,;36.88,-15.66,;37.6,-14.3,;36.78,-12.99,;35.23,-13.05,;30.74,-15.92,;30.03,-17.29,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(20.68,-20.42,;20.68,-21.96,;22.01,-22.74,;23.34,-21.97,;24.67,-22.74,;26,-21.97,;26,-20.42,;27.33,-19.65,;28.67,-20.42,;30.14,-19.94,;31.05,-21.19,;30.14,-22.45,;30.89,-23.79,;32.43,-23.81,;33.17,-25.17,;32.37,-26.48,;33.11,-27.83,;30.83,-26.45,;30.09,-25.11,;28.67,-21.97,;27.34,-22.74,;30.85,-18.57,;32.39,-18.52,;33.11,-17.15,;32.28,-15.85,;30.74,-15.92,;30.03,-17.28,;32.99,-14.48,;34.53,-14.42,;35.23,-13.06,;34.41,-11.76,;35.12,-10.39,;32.87,-11.83,;32.16,-13.19,)|
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1(CC1)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(16.6,-19.72,;16.59,-21.26,;17.92,-22.04,;19.25,-21.27,;20.58,-22.04,;21.91,-21.27,;21.91,-19.73,;23.24,-18.96,;24.58,-19.72,;26.05,-19.24,;26.96,-20.49,;26.05,-21.75,;26.8,-23.09,;28.33,-23.11,;29.08,-24.47,;28.28,-25.78,;29.02,-27.13,;26.74,-25.75,;26,-24.41,;24.58,-21.27,;23.25,-22.04,;26.76,-17.88,;28.3,-17.82,;29.01,-16.45,;28.19,-15.15,;26.64,-15.22,;25.94,-16.59,;28.9,-13.79,;27.4,-13.38,;28.5,-12.29,;30.44,-13.72,;31.26,-15.03,;32.79,-14.97,;33.51,-13.6,;35.05,-13.54,;32.69,-12.3,;31.14,-12.36,)|
CCC(CC)CNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:14.13,wD:17.17,(15.26,-22.05,;16.59,-21.28,;17.93,-22.05,;17.93,-23.59,;16.59,-24.36,;19.26,-21.28,;20.59,-22.05,;21.93,-21.28,;21.93,-19.74,;23.26,-18.97,;24.6,-19.73,;26.07,-19.25,;26.98,-20.51,;26.07,-21.76,;26.82,-23.11,;28.36,-23.13,;29.1,-24.48,;28.3,-25.8,;29.04,-27.15,;26.76,-25.77,;26.02,-24.42,;24.6,-21.28,;23.26,-22.06,;26.78,-17.89,;28.32,-17.83,;29.04,-16.47,;28.21,-15.17,;28.92,-13.8,;30.46,-13.73,;31.29,-15.04,;32.82,-14.98,;33.54,-13.61,;35.07,-13.55,;32.71,-12.31,;31.17,-12.37,;26.66,-15.24,;25.96,-16.6,)|
CCCC(C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,(1.79,-13.98,;3.12,-13.21,;4.46,-13.99,;5.79,-13.22,;5.79,-11.68,;7.12,-13.99,;8.46,-13.22,;8.46,-11.67,;9.79,-10.9,;11.12,-11.67,;12.6,-11.19,;13.51,-12.44,;12.6,-13.7,;13.35,-15.04,;14.88,-15.06,;15.63,-16.42,;14.83,-17.74,;15.57,-19.09,;13.29,-17.7,;12.55,-16.36,;11.12,-13.22,;9.79,-13.99,;13.31,-9.82,;14.85,-9.76,;15.56,-8.4,;14.74,-7.1,;15.45,-5.73,;16.99,-5.67,;17.81,-6.97,;19.34,-6.91,;20.06,-5.55,;21.6,-5.49,;19.24,-4.25,;17.7,-4.31,;13.19,-7.17,;12.49,-8.53,)|
CCCC[C@H](CO)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:15.14,wD:18.18,4.4,(19.39,-25.38,;20.72,-26.15,;22.05,-25.38,;23.39,-26.15,;24.72,-25.38,;24.72,-23.84,;23.39,-23.07,;26.05,-26.15,;27.39,-25.38,;27.39,-23.84,;28.72,-23.07,;30.05,-23.83,;31.53,-23.35,;32.44,-24.61,;31.53,-25.86,;32.28,-27.2,;33.81,-27.23,;34.56,-28.58,;33.76,-29.9,;34.5,-31.25,;32.22,-29.87,;31.48,-28.52,;30.06,-25.38,;28.72,-26.15,;32.24,-21.99,;33.78,-21.93,;34.5,-20.57,;33.67,-19.26,;34.38,-17.9,;35.92,-17.83,;36.74,-19.14,;38.28,-19.08,;39,-17.71,;40.53,-17.65,;38.17,-16.41,;36.63,-16.47,;32.12,-19.33,;31.42,-20.7,)|
CCCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:14.13,wD:17.17,4.4,(29.82,-8.23,;31.15,-9,;32.48,-8.23,;33.82,-9,;35.15,-8.23,;35.15,-6.69,;36.48,-9,;37.82,-8.23,;37.82,-6.69,;39.15,-5.92,;40.48,-6.68,;41.96,-6.2,;42.87,-7.46,;41.96,-8.71,;42.71,-10.05,;44.24,-10.08,;44.99,-11.43,;44.19,-12.75,;44.93,-14.1,;42.65,-12.72,;41.91,-11.37,;40.48,-8.23,;39.15,-9,;42.67,-4.84,;44.21,-4.78,;44.93,-3.42,;44.1,-2.11,;44.81,-.75,;46.35,-.68,;47.17,-1.99,;48.71,-1.93,;49.42,-.56,;50.96,-.5,;48.6,.75,;47.06,.69,;42.55,-2.18,;41.85,-3.55,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cccc(c1)N1CCN(C)CC1 |r,wU:13.12,wD:16.16,3.3,(4.25,-14.92,;5.58,-14.15,;6.91,-14.93,;8.25,-14.16,;8.25,-12.62,;9.58,-14.93,;10.91,-14.16,;10.92,-12.61,;12.24,-11.84,;13.58,-12.61,;15.06,-12.13,;15.97,-13.38,;15.06,-14.64,;15.8,-15.98,;17.34,-16,;18.08,-17.36,;17.28,-18.68,;18.03,-20.03,;15.74,-18.64,;15,-17.3,;13.58,-14.16,;12.25,-14.93,;15.77,-10.76,;14.94,-9.47,;15.65,-8.11,;17.2,-8.04,;18.02,-9.34,;17.31,-10.7,;19.56,-9.28,;20.38,-10.58,;21.91,-10.52,;22.63,-9.16,;24.17,-9.1,;21.81,-7.86,;20.27,-7.91,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCNCC2)cc1 |r,wU:13.12,wD:16.16,3.3,(18.56,-12.04,;19.89,-11.27,;21.22,-12.04,;22.56,-11.27,;22.56,-9.73,;23.89,-12.04,;25.22,-11.27,;25.23,-9.73,;26.55,-8.96,;27.89,-9.72,;29.36,-9.24,;30.28,-10.5,;29.37,-11.75,;30.11,-13.09,;31.65,-13.12,;32.39,-14.47,;31.59,-15.79,;32.33,-17.14,;30.05,-15.76,;29.31,-14.41,;27.89,-11.27,;26.56,-12.04,;30.08,-7.88,;31.62,-7.82,;32.33,-6.46,;31.5,-5.15,;32.21,-3.79,;33.75,-3.72,;34.58,-5.03,;36.12,-4.97,;36.84,-3.61,;36.01,-2.3,;34.46,-2.36,;29.96,-5.22,;29.25,-6.59,)|
CCC[C@@H](Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1)C(F)(F)F |r,wU:12.11,wD:15.15,3.39,(24.89,-13.55,;26.22,-12.78,;27.55,-13.55,;28.89,-12.78,;30.22,-13.55,;31.56,-12.78,;31.56,-11.24,;32.89,-10.47,;34.22,-11.23,;35.7,-10.75,;36.61,-12.01,;35.7,-13.26,;36.44,-14.6,;37.98,-14.63,;38.72,-15.98,;37.93,-17.3,;38.67,-18.65,;36.39,-17.27,;35.65,-15.92,;34.22,-12.78,;32.89,-13.55,;36.41,-9.39,;37.95,-9.33,;38.66,-7.97,;37.84,-6.66,;38.55,-5.3,;40.09,-5.23,;40.91,-6.54,;42.44,-6.48,;43.16,-5.11,;44.7,-5.05,;42.34,-3.81,;40.79,-3.87,;36.29,-6.73,;35.59,-8.1,;28.89,-11.24,;30.22,-10.47,;27.56,-10.47,;28.88,-9.7,)|
CCC[C@@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,3.3,wD:16.16,(11.62,-28.19,;12.95,-27.42,;14.29,-28.19,;15.62,-27.43,;15.62,-25.89,;16.95,-28.2,;18.29,-27.43,;18.29,-25.88,;19.62,-25.11,;20.95,-25.88,;22.43,-25.4,;23.34,-26.65,;22.43,-27.91,;23.18,-29.25,;24.71,-29.27,;25.46,-30.63,;24.66,-31.95,;25.4,-33.3,;23.12,-31.91,;22.38,-30.57,;20.95,-27.43,;19.62,-28.2,;23.14,-24.03,;24.68,-23.97,;25.4,-22.61,;24.57,-21.31,;25.28,-19.94,;26.82,-19.88,;27.64,-21.18,;29.18,-21.12,;29.89,-19.76,;31.43,-19.7,;29.07,-18.46,;27.53,-18.52,;23.02,-21.38,;22.32,-22.74,)|
CN1CCN(Cc2ccc(cc2)-c2cn([C@H]3CC[C@H](O)CC3)c3nc(NC4CCCCC4)ncc23)CC1 |r,wU:15.15,wD:18.19,(35.06,-13.55,;33.52,-13.61,;32.8,-14.97,;31.27,-15.03,;30.45,-13.73,;28.91,-13.79,;28.2,-15.16,;29.02,-16.46,;28.31,-17.82,;26.77,-17.88,;25.95,-16.59,;26.65,-15.23,;26.06,-19.24,;26.97,-20.5,;26.06,-21.75,;26.8,-23.09,;28.34,-23.12,;29.08,-24.47,;28.29,-25.79,;29.03,-27.14,;26.75,-25.76,;26.01,-24.41,;24.58,-21.27,;23.25,-22.04,;21.92,-21.27,;20.58,-22.04,;19.25,-21.27,;19.26,-19.73,;17.94,-18.96,;16.6,-19.73,;16.59,-21.27,;17.93,-22.05,;21.92,-19.73,;23.25,-18.96,;24.58,-19.72,;31.15,-12.37,;32.7,-12.31,)|
[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|
CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
CC(C)(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)ncc1Cl
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1
O=C(CSC(=S)N1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1
O=C(NC1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1
O=C(CCSC(=S)N1CCN(CC1)c1ccccc1)Nc1cccc(NC(=O)c2ccccn2)c1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
COc1cc2c(Oc3ccc(NC(=O)C(C)c4nnc(o4)-c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)c4nnc(o4)-c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCCC1
CC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccccc6)c(=O)c45)cc3F)ccnc2c1
COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1
Cc1c(C(=O)Nc2ccc(Oc3ccnc4[nH]cc(-c5ccccc5)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C
COc1cc2c(cc1OCC3CCNCC3)c(ncn2)Nc4cnc(nc4)OCCC5CC5
COc1cc2c(Nc3cnc(NC(=O)c4cccn4C)nc3)ncnc2cc1OCCCNC1CCCC1
COc1cc2c(Nc3cnc(OCCCC4CCCC4)nc3)ncnc2cc1OCCCN1CCCCC1
C[C@@H]1CN(CCN1)c2cnc(nc2NC3CCOCC3)Nc4cc(c(c(c4)F)OCC5CC5)F
O=S(=O)(N1CCCCC1)c1ccc(Nc2ncc(N3CCOCC3)c(Nc3ccccc3)n2)cc1
CS(=O)(=O)c1cnc(Nc2ccc(O)cc2)nc1NCc1ccccc1
CNC(=O)c1cnc(Nc2ccc(OC)cc2C)nc1NC1CCCC1
CNc1c2c(nc(n1)OC3CCCC3)n(cn2)Cc4c(cccc4F)F
CNc1nc(OCC2CCC2)nc2n(Cc3c(F)cccc3F)cnc12
c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCn4ccnc4C3)Oc5cc(ncn5)NC(=O)C6CC6
CNC(=O)c1c(nc(s1)N2CC3CC2(C3)CNC(=O)c4c[nH]c5c4cc(cn5)Cl)C(F)(F)F
CNC(=O)C[C@@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)c1c(C)noc1-c1snnc1C)c1ccc(cc1)C(F)(F)F |r|
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1)-c1ccccc1Cl
CNC(=O)c1sc(nc1C(F)(F)F)N1CC2CC1(CNC(=O)c1c[nH]c3ncc(C)cc13)C2 |(45.05,-5.8,;43.51,-5.8,;42.74,-7.13,;43.5,-8.46,;41.2,-7.12,;40.3,-5.87,;38.82,-6.34,;38.82,-7.88,;40.29,-8.36,;40.75,-9.82,;42.29,-9.82,;41.52,-11.16,;39.72,-10.97,;37.58,-5.43,;37.59,-3.89,;36.13,-3.41,;35.22,-4.66,;36.12,-5.9,;35.64,-7.37,;34.13,-7.68,;33.1,-6.53,;33.58,-5.07,;31.6,-6.85,;30.97,-8.24,;29.44,-8.08,;29.13,-6.58,;27.79,-5.81,;27.79,-4.27,;29.12,-3.5,;29.11,-1.96,;30.45,-4.26,;30.46,-5.81,;36.52,-4.89,)|
CNC(=O)c1sc(nc1C(F)(F)F)N1CC2CC1(CNC(=O)c1c[nH]c3ncc(cc13)C(F)(F)F)C2 |(69.05,-6.83,;67.51,-6.82,;66.74,-8.15,;67.5,-9.49,;65.2,-8.15,;64.3,-6.9,;62.82,-7.37,;62.82,-8.91,;64.29,-9.39,;64.75,-10.85,;66.29,-10.85,;65.52,-12.18,;63.72,-12,;61.58,-6.46,;61.59,-4.92,;60.12,-4.44,;59.21,-5.68,;60.12,-6.93,;59.64,-8.39,;58.13,-8.71,;57.1,-7.56,;57.58,-6.1,;55.59,-7.87,;54.97,-9.27,;53.44,-9.11,;53.13,-7.6,;51.79,-6.84,;51.79,-5.3,;53.12,-4.53,;54.45,-5.29,;54.46,-6.84,;53.11,-2.98,;51.57,-2.98,;52.34,-1.65,;54.45,-2.21,;60.52,-5.92,)|
CNC(=O)c1sc(nc1C(F)(F)F)N1CC2CC1(CNC(=O)c1c[nH]c3ncccc13)C2 |(19.99,-20.98,;18.45,-20.98,;17.67,-22.31,;18.44,-23.64,;16.13,-22.3,;15.23,-21.05,;13.76,-21.53,;13.76,-23.06,;15.22,-23.55,;15.69,-25.01,;17.23,-25.01,;16.46,-26.34,;14.66,-26.15,;12.52,-20.62,;12.52,-19.08,;11.06,-18.59,;10.15,-19.84,;11.06,-21.09,;10.57,-22.55,;9.07,-22.86,;8.04,-21.72,;8.52,-20.25,;6.53,-22.03,;5.91,-23.42,;4.38,-23.26,;4.06,-21.76,;2.73,-21,;2.73,-19.45,;4.06,-18.68,;5.39,-19.45,;5.4,-21,;11.46,-20.07,)|
CN(Cc1ccc2OCCCc2c1)c1nnc(o1)-c1ccc(cc1)-c1ccccc1Cl
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(nc1)-c1ccccc1Cl
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(OC2CCCC2)cc1
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ncc(cc1Cl)C(F)(F)F
CN(C)c1ccc(-c2nnc(o2)N(C)Cc2ccc3nccn3c2)c(C)c1
CCn1c(nc2ccccc12)-c1nnc(o1)N(C)Cc1ccc2nccn2c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
Fc1ccc2NC(=O)C(=C3/Nc4ccccc4/C/3=NOCCN3CCNCC3)c2c1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CN(C)C)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1
CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CCCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1
CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cc5C(=O)CCCc5n(-c5ccccc5)c4=O)cc3)ccn2)CC1
CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cc5C(=O)CCCc5n(-c5ccccc5)c4=O)cc3F)ccn2)CC1
CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cc5C(=O)CCCc5n(-c5ccccc5)c4=O)c(F)c3)ccn2)CC1
CN1CCC(CC(=O)Nc2cc(Oc3cc(F)c(NC(=O)c4cc5C(=O)CCCc5n(-c5ccccc5)c4=O)cc3F)ccn2)CC1
CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2cc(F)c(NC(=O)c3cc4C(=O)CCCc4n(-c4ccccc4)c3=O)cc2F)ccn1
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CC(O)C4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
CNC1CN(C1)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)ncn1
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CC(C4)N4CCCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)ncn1
CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)ncn1
CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C4CCCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)ncn1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4NC(=O)Cc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(C)Cc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(C)CCc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CCN(C)Cc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)CN3CCOCC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)CCN3CCCC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)CN3CCN(C)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)CC3CCN(C)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)C3CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC5CCOCC5)Cc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC5CCN(C)CC5)Cc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C(=O)C3CCC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C(=O)C3CCN(C)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C(=O)CN3CCOCC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C(=O)CCN3CCCC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C(=O)CC3CCN(C)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC(=O)N5CCN(C)CC5)CCc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC(=O)N5CCC5)CCc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC5CCN(C)CC5)CCc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C3CCN(C)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C3CCN(CC4CC4)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC5CN(C)C5)CCc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C3CN(C)C3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(C4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(CCF)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
CC(C)Cn1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC5CCN(C)CC5)CCc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(CC4CCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(C4CCCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(C)cn4)c3=O)cc2F)CC1
CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(C4CCCC4)c(=O)n(-c4ccc(C)cn4)c3=O)cc2F)CC1
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccccc1
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1)C1CC1
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1)-c1ccccc1
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1)-c1ccccc1F
COc1ccccc1-c1ccc(cc1)-c1nnc(o1)N(C)Cc1ccc2nccn2c1
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1)-c1ccccc1C#N
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1)-c1ccccc1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1)-c1cccnc1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1)-c1c(C)nn(C)c1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1)-c1c(C)noc1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1F)-c1c(C)nn(C)c1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1Cl)-c1c(C)nn(C)c1C
COc1cc(ccc1-c1nnc(o1)N(C)Cc1ccc2nccn2c1)-c1c(C)nn(C)c1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C)-c1c(C)nn(C)c1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C#N)-c1c(C)nn(C)c1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ncc(cc1C)-c1c(C)nn(C)c1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(nc1C)-c1c(C)nn(C)c1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C)-c1c(C)n[nH]c1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C)-c1cnn(C)c1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C)-c1c(C)nn(C)c1C#N
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C)-c1c(C)n(C)nc1C#N
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C)-c1c(C)nn(C(F)F)c1C
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C)-c1c(C)nc(C)n1C
c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl
Clc1ccc(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c(Cl)c1
c1cc(c(cc1F)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)F
Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCCC3)C(=O)NCCCN4CCOC4=O)Br
Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Br
CCN(Cc1ccc(Cl)cc1)c1ncc(C(=O)NCCCN2CCCC2=O)c(NC2CCCC2)n1
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12 |r,wU:11.14,9.9,(5.38,-23.19,;6.89,-22.87,;7.92,-24.01,;7.36,-21.4,;6.33,-20.26,;6.8,-18.8,;8.31,-18.48,;9.35,-19.61,;8.87,-21.08,;8.78,-17.01,;8.08,-15.64,;9.45,-14.94,;10.15,-16.31,;9.91,-13.47,;9,-12.23,;9.9,-10.98,;9.42,-9.52,;10.45,-8.37,;9.97,-6.91,;11,-5.76,;8.46,-6.59,;7.43,-7.75,;7.92,-9.21,;6.9,-10.36,;11.37,-11.45,;12.7,-10.67,;12.7,-9.13,;14.04,-11.43,;14.05,-12.98,;12.71,-13.76,;11.37,-12.99,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(3.79,-11.34,;5.12,-10.57,;6.45,-11.34,;7.79,-10.57,;7.79,-9.03,;9.12,-11.34,;10.46,-10.57,;10.46,-9.03,;11.79,-8.26,;13.12,-9.02,;14.59,-8.55,;15.5,-9.79,;14.59,-11.04,;15.07,-12.51,;16.58,-12.81,;17.05,-14.29,;16.01,-15.43,;16.48,-16.9,;14.51,-15.1,;14.04,-13.64,;13.12,-10.57,;11.79,-11.34,;15.07,-7.09,;16.58,-6.77,;17.06,-5.31,;16.03,-4.16,;14.52,-4.48,;14.04,-5.95,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(C)CC1 |r,wU:13.12,wD:16.16,3.3,(42.51,-13.07,;43.85,-12.3,;45.18,-13.07,;46.51,-12.3,;46.51,-10.76,;47.85,-13.07,;49.18,-12.3,;49.18,-10.76,;50.51,-9.99,;51.85,-10.75,;53.31,-10.27,;54.22,-11.52,;53.31,-12.77,;53.79,-14.23,;55.3,-14.54,;55.77,-16.01,;54.74,-17.16,;55.21,-18.62,;53.23,-16.83,;52.76,-15.37,;51.85,-12.29,;50.51,-13.07,;53.79,-8.81,;55.3,-8.5,;55.78,-7.04,;54.75,-5.89,;55.24,-4.43,;53.25,-6.21,;52.76,-7.67,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(C)C |r,wU:13.12,wD:16.16,3.3,(64.91,-11.72,;66.25,-10.95,;67.58,-11.72,;68.91,-10.95,;68.91,-9.41,;70.25,-11.72,;71.58,-10.96,;71.58,-9.41,;72.91,-8.64,;74.25,-9.4,;75.71,-8.93,;76.62,-10.17,;75.71,-11.42,;76.19,-12.89,;77.7,-13.2,;78.17,-14.67,;77.14,-15.81,;77.61,-17.28,;75.63,-15.48,;75.16,-14.02,;74.25,-10.95,;72.91,-11.73,;76.19,-7.47,;77.7,-7.15,;78.18,-5.69,;77.15,-4.54,;75.65,-4.86,;75.16,-6.33,;77.64,-3.08,;79.14,-2.77,;76.61,-1.93,)|
Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(Cl)cc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12
COc1cc2c(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)ccnc2cc1OCCCN1CCOCC1
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1cccc([18F])n1 |(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.66,-3.08,;-1.33,-3.85,;0,-3.08,;1.34,-3.84,;2.66,-3.08,;2.66,-1.54,;1.34,-.77,;1.34,.77,;0,1.54,;-1.33,.77,;-2.66,1.54,;-2.66,3.08,;-4,3.85,;-1.33,3.85,;0,3.08,;0,-1.54,;4,-.77,;5.34,-1.54,;6.67,-.76,;6.66,.77,;5.33,1.54,;5.33,3.08,;4,.77,)|
CCCCNc1ncc(C(=O)NC2CCN(CCF)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.23,wD:26.27,(2.87,-11.2,;4.2,-10.43,;5.54,-11.2,;6.87,-10.43,;8.2,-11.2,;9.54,-10.43,;10.87,-11.2,;12.21,-10.43,;12.2,-8.88,;13.54,-8.11,;13.53,-6.57,;14.87,-8.87,;16.2,-8.1,;17.54,-8.87,;18.86,-8.1,;18.87,-6.56,;20.2,-5.79,;21.53,-6.56,;22.87,-5.79,;17.53,-5.79,;16.19,-6.56,;10.87,-8.12,;10.86,-6.58,;9.53,-5.81,;8.2,-6.58,;6.87,-5.81,;6.86,-4.27,;5.53,-3.5,;8.2,-3.5,;9.53,-4.27,;9.54,-8.89,)|
CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)CCCF
CN1CCNC(=O)CCCCOc2cc(C#Cc3cnc4ccc1nn34)c(C)c(c2)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1
CC(C)(O)Cn1cc(cn1)-c1cnc2Nc3ccc(C#N)c(CCCCOc4ccccc4[C@@H](CO)Nc1n2)c3 |r|
Cc1c2cc(cc1C(=O)Nc3cc(cc(c3)C4CC4)CN5CCN(CC5)C)OCCCCCCCNC(=O)c6ccc7ncc(n7n6)C#C2
CN(Cc1ccc2nccn2c1)c1ccc(o1)-c1ccc(cc1)-c1ccccc1Cl
CNC(=O)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1c(C)noc1-c1snnc1C)c1ccc(cc1)C(F)(F)F |r|
Nc1cccc(-c2c(-c3cn[nH]c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
Cc1oc2ncnc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c2c1-c1cccc(N)c1
Nc1cccc(-c2c(Br)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
Nc1cccc(-c2coc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2cccc(N)c2)cn1
Cc1nn(C)cc1-c1oc2ncnc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c2c1-c1cccc(N)c1
Cc1noc(C)c1-c1oc2ncnc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c2c1-c1cccc(N)c1
Nc1cccc(-c2c(-c3cc[nH]n3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
Nc1cccc(-c2c(-c3ccsc3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2ccccc2)cn1
CC(=O)Nc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
CNc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
CN(C)c1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2cccc(CN)c2)cn1
CNCc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
CN(C)Cc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2cccc(N3CCNCC3)c2)cn1
CN1CCN(c2cccc(-c3c(-c4cnn(C)c4)oc4ncnc(Oc5ccc(NC(=O)c6cccn(-c7ccc(F)cc7)c6=O)cc5)c34)c2)CC1
Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2ccccc2N)cn1
Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2ccc(N)cc2)cn1
CC(=O)Nc1ccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)cc1
CN(C)Cc1ccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)cc1
Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2ccc(N3CCNCC3)cc2)cn1
CN1CCN(c2ccc(-c3c(-c4cnn(C)c4)oc4ncnc(Oc5ccc(NC(=O)c6cccn(-c7ccc(F)cc7)c6=O)cc5)c34)cc2)CC1
COc1cc2nccc(Oc3ccc(NC(=O)c4cc5c(n(-c6ccccc6)c4=O)CCCC5=O)nc3)c2cc1OC
OC[C@@H](Nc1ncnc2oc(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccccc1)c1ccccc1 |r|
C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)c23)c1
Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)c23)c1
O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4oc(-c5ccccc5)c(-c5ccccc5)c34)cc2)CC1
O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4oc(-c5ccccc5)cc34)cc2)CC1
Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(Nc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)c23)c1
Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4)c23)c1
Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C/CN2
CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OCCCCN2
CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=CCN2
CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C/CCN2
CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=CCCN2
CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C/CCCN2
CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=CCCCN2
Nc1ccc2cc1OC/C=C/CNc1ncc(-c3ccccn3)c(n1)N2
CC(C)NC(=O)c1cnc2nc1Nc1cccc(c1)OC/C=CCN2
CC(C)NC(=O)c1cnc2nc1Nc1ccc(F)c(c1)OC/C=CCN2
CC(C)NC(=O)c1cnc2nc1Nc1ccc(Cl)c(c1)OC/C=CCN2
CC(C)NC(=O)c1cnc2nc1Nc1ccc(C#N)c(c1)OC/C=CCN2
Cc1ccc2cc1OC/C=CCNc1ncc(C(=O)NC(C)C)c(n1)N2
COc1ccc2cc1OC/C=CCNc1ncc(C(=O)NC(C)C)c(n1)N2
CC(C)NC(=O)c1cnc2nc1Nc1cc(C#N)cc(c1)OC/C=CCN2
CC(C)NC(=O)c1cnc2nc1Nc1ccnc(c1)OC/C=CCN2
CC(C)NC(=O)c1cnc2nc1Nc1cnc(N)c(c1)OC/C=CCN2
CC(C)N(C)C(=O)c1cnc2nc1Nc1ccc(C#N)c(c1)OC/C=CCN2
N#Cc1ccc2cc1OC/C=CCNc1ncc(C(=O)N3CCNCC3)c(n1)N2
N#Cc1ccc2cc1OC/C=CCNc1ncc(C(=O)NC3CCNCC3)c(n1)N2
CN1CC(NC(=O)c2cnc3nc2Nc2ccc(C#N)c(c2)OC/C=CCN3)C1
N#Cc1ccc2cc1OC/C=CCNc1ncc(C(=O)N[C@H]3CCNC3)c(n1)N2
N#Cc1ccc2cc1OC/C=CCNc1ncc(C(=O)NCC3CCNCC3)c(n1)N2
N#Cc1ccc2cc1OC/C=CCNc1ncc(C(=O)Nc3ccncc3)c(n1)N2
CN1CCN(c2ccc(NC(=O)c3cnc4nc3Nc3ccc(C#N)c(c3)OC/C=CCN4)cc2)CC1
CN1CCN(Cc2ccc(NC(=O)c3cnc4nc3Nc3ccc(C#N)c(c3)OC/C=CCN4)cc2)CC1
N#Cc1ccc2cc1OC/C=CCNc1ncc(C(=O)NC3CCN(CC4CCOCC4)CC3)c(n1)N2
N#Cc1ccc2cc1OC/C=CCNc1ncc(C(=O)NC3CCN(C(=O)C4CCOCC4)CC3)c(n1)N2
N#Cc1ccc2cc1OC/C=CCNc1ncc(C(=O)N[C@H]3CC[C@H](C(=O)N4CCOCC4)CC3)c(n1)N2
CN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)c3cnc4nc3Nc3ccc(C#N)c(c3)OC/C=CCN4)CC2)CC1
CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(C#N)c(c2)OC/C=CCN3)CC1
CN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)c3cnc4nc3Nc3ccc(F)c(c3)OC/C=CCN4)CC2)CC1
CN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)c3cnc4nc3Nc3ccc(Cl)c(c3)OC/C=CCN4)CC2)CC1
Cc1ccc2cc1OC/C=CCNc1ncc(C(=O)N[C@H]3CC[C@H](C(=O)NC4CCN(C)CC4)CC3)c(n1)N2
COc1ccc2cc1OC/C=CCNc1ncc(C(=O)N[C@H]3CC[C@H](C(=O)NC4CCN(C)CC4)CC3)c(n1)N2
CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(F)c(c2)OC/C=CCN3)CC1
CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(Cl)c(c2)OC/C=CCN3)CC1
CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(C)c(c2)OC/C=CCN3)CC1
CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(OC)c(c2)OC/C=CCN3)CC1
C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
Cc1cc2cc(ccc2[nH]1)Oc3ccnc(n3)Nc4cccc(c4)CS(=O)(=O)NCCN(C)C
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N
OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)N[C@@H](CN5)C
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
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
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
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|
Fc1ccc2cc([nH]c2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r|
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3[nH]1)c1ccccc21 |r|
Fc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCCNC2)c2ccccc12 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(-8.83,-18.78,;-8.83,-20.32,;-7.5,-21.09,;-7.5,-22.63,;-6.17,-23.41,;-4.83,-22.64,;-4.83,-21.09,;-3.5,-20.32,;-2.17,-21.08,;-.69,-20.61,;.22,-21.86,;-.69,-23.12,;-.22,-24.58,;-1.25,-25.72,;-.77,-27.18,;-1.81,-28.32,;-3.31,-28,;-4.35,-29.14,;-3.78,-26.53,;-2.76,-25.39,;-2.17,-22.64,;-3.5,-23.41,;-.22,-19.14,;-1.25,-18.01,;-.78,-16.54,;.73,-16.22,;1.77,-17.36,;1.29,-18.82,;1.2,-14.75,;2.71,-14.44,;3.19,-12.98,;2.16,-11.83,;.65,-12.15,;.17,-13.62,)|
N[C@H]1CC[C@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(11.21,-28.56,;12.24,-27.41,;13.75,-27.74,;14.79,-26.59,;14.31,-25.14,;15.34,-24,;14.86,-22.53,;15.77,-21.28,;14.86,-20.02,;15.34,-18.56,;14.31,-17.42,;14.78,-15.96,;16.29,-15.63,;17.32,-16.78,;16.84,-18.24,;16.76,-14.17,;18.27,-13.85,;18.74,-12.39,;17.71,-11.25,;16.21,-11.56,;15.72,-13.03,;13.39,-20.5,;12.05,-19.74,;10.72,-20.51,;10.72,-22.05,;9.39,-22.82,;8.05,-22.05,;8.05,-20.51,;6.72,-19.74,;6.72,-18.2,;8.06,-17.44,;8.06,-15.9,;6.73,-15.13,;5.39,-15.9,;5.4,-17.44,;12.05,-22.82,;13.39,-22.05,;12.8,-24.81,;11.77,-25.95,)|
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(19.9,-18.03,;19.9,-19.57,;21.23,-20.34,;21.23,-21.88,;22.56,-22.65,;23.9,-21.88,;23.9,-20.34,;25.23,-19.57,;26.56,-20.33,;28.04,-19.85,;28.95,-21.11,;28.04,-22.36,;28.51,-23.83,;27.48,-24.97,;27.96,-26.43,;26.92,-27.57,;25.42,-27.25,;24.38,-28.39,;24.95,-25.78,;25.98,-24.64,;26.56,-21.88,;25.23,-22.65,;28.51,-18.39,;30.02,-18.07,;30.5,-16.61,;29.47,-15.46,;27.95,-15.79,;27.48,-17.25,;29.93,-14,;31.44,-13.68,;31.92,-12.22,;30.89,-11.08,;29.38,-11.39,;28.9,-12.86,)|
N[C@H]1CC[C@H](Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(-.82,-49.25,;.22,-48.11,;1.72,-48.43,;2.76,-47.29,;2.28,-45.83,;3.31,-44.69,;2.84,-43.22,;3.75,-41.97,;2.84,-40.71,;3.31,-39.25,;4.82,-38.93,;5.3,-37.47,;4.27,-36.32,;4.74,-34.86,;2.75,-36.65,;2.28,-38.11,;1.36,-41.19,;.03,-40.43,;-1.3,-41.2,;-1.3,-42.74,;-2.64,-43.51,;-3.97,-42.74,;-3.97,-41.2,;-5.3,-40.43,;-5.3,-38.89,;-3.96,-38.13,;-3.96,-36.59,;-5.29,-35.82,;-6.63,-36.59,;-6.63,-38.13,;.03,-43.51,;1.36,-42.74,;.78,-45.5,;-.25,-46.64,)|
CNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)C(C)C |r,wU:10.9,wD:13.13,(-8.33,1.58,;-7,.81,;-5.67,1.58,;-5.66,3.13,;-4.34,3.9,;-3,3.13,;-1.53,3.61,;-.61,2.36,;-1.52,1.1,;-1.05,-.36,;-2.08,-1.51,;-1.6,-2.96,;-2.64,-4.1,;-4.15,-3.78,;-5.18,-4.92,;-4.62,-2.31,;-3.59,-1.18,;-3,1.58,;-4.33,.81,;-1.05,5.08,;.46,5.4,;-2.08,6.22,)|
CNc1ncc2c(nn(C[C@@H]3CCCN3)c2n1)C(C)C |r|
CNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)C(C)=C |r,wU:10.9,wD:13.13,(43.28,2.05,;44.61,1.28,;45.94,2.05,;45.95,3.59,;47.27,4.36,;48.61,3.6,;50.08,4.08,;51,2.82,;50.08,1.57,;50.56,.11,;49.53,-1.04,;50.01,-2.49,;48.97,-3.64,;47.46,-3.31,;46.43,-4.45,;46.99,-1.85,;48.02,-.71,;48.61,2.05,;47.28,1.28,;50.56,5.54,;49.53,6.69,;52.06,5.86,)|
CNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)-c1ccccc1 |r,wU:10.9,wD:13.13,(55.74,2.99,;57.07,2.22,;58.4,2.99,;58.41,4.53,;59.73,5.3,;61.07,4.54,;62.54,5.02,;63.46,3.76,;62.55,2.51,;63.02,1.05,;61.99,-.1,;62.47,-1.55,;61.43,-2.69,;59.92,-2.37,;58.89,-3.51,;59.45,-.9,;60.48,.23,;61.07,2.99,;59.74,2.22,;63.02,6.48,;64.53,6.8,;65.01,8.26,;63.98,9.41,;62.47,9.08,;62,7.62,)|
CNc1ncc2c(nn(C[C@@H]3CC[C@H](O)CC3)c2n1)-c1ccccc1 |r,wU:10.9,13.13,(-9.72,-12.39,;-8.39,-13.17,;-7.06,-12.4,;-7.05,-10.85,;-5.73,-10.08,;-4.39,-10.85,;-2.92,-10.37,;-2,-11.62,;-2.92,-12.88,;-2.44,-14.34,;-3.47,-15.48,;-4.98,-15.15,;-6.01,-16.29,;-5.54,-17.76,;-6.57,-18.9,;-4.03,-18.08,;-2.99,-16.94,;-4.39,-12.4,;-5.72,-13.17,;-2.44,-8.9,;-.93,-8.59,;-.46,-7.12,;-1.49,-5.98,;-3,-6.31,;-3.47,-7.77,)|
CNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccccc1 |r,wU:10.9,wD:13.13,(2.58,-11.99,;3.91,-12.76,;5.24,-11.99,;5.25,-10.45,;6.57,-9.68,;7.91,-10.44,;9.38,-9.96,;10.3,-11.22,;9.38,-12.47,;9.86,-13.94,;8.83,-15.08,;9.31,-16.53,;8.27,-17.68,;6.76,-17.35,;5.73,-18.49,;6.29,-15.89,;7.32,-14.75,;7.91,-11.99,;6.58,-12.76,;9.86,-8.5,;11.37,-8.18,;11.84,-6.72,;10.81,-5.57,;9.3,-5.9,;8.83,-7.36,)|
CNc1ncc2c(nn(C[C@@H]3CC[C@H](N)CC3)c2n1)-c1ccccc1 |r,wU:10.9,13.13,(15.74,-11.88,;17.07,-12.65,;18.41,-11.88,;18.41,-10.33,;19.74,-9.56,;21.07,-10.33,;22.55,-9.85,;23.46,-11.1,;22.55,-12.36,;23.02,-13.82,;21.99,-14.96,;20.49,-14.63,;19.46,-15.77,;19.93,-17.24,;18.89,-18.38,;21.43,-17.56,;22.47,-16.42,;21.07,-11.88,;19.74,-12.65,;23.02,-8.38,;24.53,-8.07,;25.01,-6.6,;23.97,-5.46,;22.46,-5.79,;21.99,-7.25,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1cccc(OC)c1 |(38.73,-12.44,;40.06,-13.21,;41.39,-12.44,;41.4,-10.9,;42.72,-10.13,;44.06,-10.89,;45.53,-10.41,;46.45,-11.67,;45.53,-12.92,;46.01,-14.39,;44.98,-15.53,;43.47,-15.2,;42.44,-16.34,;42.91,-17.8,;41.88,-18.94,;44.42,-18.13,;45.46,-16.98,;44.06,-12.44,;42.73,-13.21,;46.01,-8.95,;44.98,-7.81,;45.45,-6.35,;46.96,-6.03,;47.99,-7.17,;49.5,-6.85,;50.53,-8,;47.52,-8.63,)|
CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1OC |(55.1,-12.21,;56.43,-12.98,;57.77,-12.21,;57.77,-10.67,;59.1,-9.9,;60.43,-10.66,;61.91,-10.18,;62.82,-11.44,;61.91,-12.69,;62.38,-14.15,;61.35,-15.3,;59.85,-14.97,;58.82,-16.11,;59.29,-17.57,;58.25,-18.71,;60.79,-17.9,;61.83,-16.75,;60.43,-12.21,;59.1,-12.98,;62.38,-8.72,;63.89,-8.4,;64.37,-6.94,;63.34,-5.79,;61.82,-6.12,;61.35,-7.58,;59.85,-7.91,;58.81,-6.77,)|
C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(45.25,-13.26,;43.74,-12.95,;43.27,-11.48,;42.72,-14.09,;41.21,-13.77,;40.18,-14.92,;40.73,-12.31,;39.23,-11.99,;38.75,-10.54,;39.78,-9.39,;41.28,-9.69,;41.76,-11.16,;39.29,-7.93,;40.2,-6.67,;41.74,-6.66,;42.5,-5.32,;41.72,-4,;44.04,-5.31,;44.81,-6.64,;46.35,-6.63,;47.13,-7.96,;47.11,-5.3,;46.33,-3.96,;47.08,-2.62,;44.79,-3.98,;39.28,-5.42,;37.81,-5.91,;36.47,-5.15,;35.14,-5.92,;35.14,-7.46,;33.81,-8.23,;32.48,-7.46,;32.49,-5.92,;31.16,-5.15,;29.82,-5.91,;29.82,-7.45,;31.15,-8.23,;28.48,-5.13,;27.71,-3.79,;29.25,-3.79,;27.16,-5.9,;36.48,-8.23,;37.82,-7.46,)|
CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)|
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
[O-][N+](=O)c1cc(c(Nc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
[O-][N+](=O)c1cc(c(Oc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
COc1ccc(Oc2nc(Cl)ccc2[N+]([O-])=O)cc1
Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1
COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O
COc1ccc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)cc1OC
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Fc1cc(NC(=O)c2cccn(-c3ccc(cc3)C(F)(F)F)c2=O)ccc1Oc1ncnc2nc[nH]c12
Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Fc1cccc(c1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
CCCCNc1ncc(c(NC[C@H]2CC[C@H](N)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(.58,-12.75,;1.91,-11.98,;3.24,-12.75,;4.58,-11.98,;5.91,-12.75,;7.24,-11.98,;8.58,-12.75,;9.92,-11.98,;9.91,-10.43,;8.58,-9.67,;8.57,-8.13,;7.23,-7.36,;7.23,-5.82,;5.91,-5.06,;5.89,-3.53,;7.23,-2.76,;7.22,-1.22,;8.57,-3.52,;8.57,-5.05,;7.25,-10.44,;11.24,-9.66,;12.57,-10.43,;13.9,-9.65,;13.9,-8.11,;12.55,-7.35,;11.23,-8.12,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCOCC2)cn1 |r,wU:11.10,wD:14.14,(58.28,-22.87,;59.62,-22.1,;60.95,-22.87,;62.28,-22.11,;63.62,-22.88,;64.95,-22.11,;66.29,-22.88,;67.62,-22.11,;67.62,-20.56,;66.28,-19.79,;66.28,-18.25,;64.94,-17.49,;63.62,-18.26,;62.28,-17.48,;62.28,-15.94,;60.94,-15.17,;63.61,-15.17,;64.94,-15.94,;64.95,-20.56,;68.95,-19.78,;70.28,-20.55,;71.61,-19.78,;71.6,-18.24,;72.93,-17.46,;74.27,-18.22,;74.27,-19.76,;75.6,-20.53,;76.93,-19.76,;76.93,-18.21,;75.59,-17.44,;70.26,-17.47,;68.93,-18.25,)|
OCCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(50.03,-56.64,;51.36,-57.41,;52.7,-56.64,;54.03,-57.41,;55.36,-56.64,;56.7,-57.41,;58.03,-56.64,;59.37,-57.41,;60.7,-56.64,;60.7,-55.09,;59.36,-54.33,;59.36,-52.79,;58.02,-52.02,;56.7,-52.79,;55.36,-52.02,;55.36,-50.48,;54.03,-49.7,;56.69,-49.71,;58.02,-50.47,;58.03,-55.1,;62.03,-54.32,;63.36,-55.09,;64.69,-54.31,;64.69,-52.77,;63.34,-52.01,;62.03,-52.78,)|
OCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:11.10,wD:14.14,(32.88,-56.7,;34.22,-55.94,;35.55,-56.71,;36.88,-55.94,;38.22,-56.71,;39.55,-55.94,;40.89,-56.71,;42.22,-55.94,;42.22,-54.39,;40.88,-53.62,;40.88,-52.08,;39.54,-51.32,;38.22,-52.09,;36.88,-51.32,;36.88,-49.77,;35.54,-49,;38.21,-49.01,;39.54,-49.77,;39.55,-54.4,;43.55,-53.61,;44.88,-54.38,;46.21,-53.61,;46.2,-52.07,;44.86,-51.3,;43.54,-52.08,)|
OCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:10.9,wD:13.13,(19.7,-54.36,;21.03,-55.13,;22.37,-54.36,;23.7,-55.13,;25.03,-54.36,;26.37,-55.14,;27.7,-54.36,;27.7,-52.81,;26.36,-52.05,;26.36,-50.51,;25.02,-49.74,;23.7,-50.51,;22.36,-49.74,;22.36,-48.2,;21.03,-47.43,;23.69,-47.43,;25.02,-48.2,;25.03,-52.82,;29.03,-52.04,;30.36,-52.81,;31.69,-52.04,;31.69,-50.49,;30.34,-49.73,;29.03,-50.5,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NCCc2ccccc2)ncc1-c1ccccn1 |r,wU:4.7,wD:1.0,(4.22,-46.58,;5.55,-47.35,;5.55,-48.89,;6.89,-49.66,;8.21,-48.89,;8.21,-47.35,;6.89,-46.58,;9.55,-49.66,;9.55,-51.2,;8.23,-51.97,;8.22,-53.51,;6.89,-54.28,;5.56,-53.51,;4.22,-54.28,;2.89,-53.51,;2.9,-51.97,;1.57,-51.2,;.23,-51.96,;.24,-53.51,;1.57,-54.28,;9.56,-54.28,;10.9,-53.51,;10.89,-51.96,;12.22,-51.19,;13.55,-51.96,;14.88,-51.18,;14.88,-49.64,;13.53,-48.88,;12.22,-49.65,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)ncc1-c1ccccn1 |r,wU:4.7,wD:1.0,(57.34,-36.38,;58.68,-37.15,;58.68,-38.69,;60.01,-39.47,;61.34,-38.7,;61.34,-37.15,;60.01,-36.38,;62.68,-39.46,;62.68,-41,;61.35,-41.77,;61.35,-43.32,;60.02,-44.09,;58.68,-43.31,;57.35,-44.08,;56.02,-43.31,;54.68,-44.08,;54.68,-45.62,;56.02,-46.39,;57.35,-45.62,;62.68,-44.09,;64.02,-43.32,;64.02,-41.76,;65.35,-40.99,;66.68,-41.76,;68.01,-40.99,;68,-39.45,;66.66,-38.68,;65.34,-39.45,)|
CCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:9.8,wD:12.12,(38.73,-32.11,;40.06,-31.34,;41.4,-32.12,;42.73,-31.35,;44.07,-32.12,;45.4,-31.35,;45.4,-29.8,;44.06,-29.03,;44.06,-27.49,;42.72,-26.73,;41.4,-27.5,;40.06,-26.72,;40.06,-25.18,;38.73,-24.41,;41.39,-24.41,;42.72,-25.18,;42.73,-29.8,;46.73,-29.02,;48.06,-29.79,;49.39,-29.02,;49.38,-27.48,;48.04,-26.71,;46.72,-27.48,)|
CNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:8.7,wD:11.11,(26.94,-31.28,;28.28,-32.05,;29.61,-31.28,;30.95,-32.06,;32.28,-31.28,;32.28,-29.73,;30.94,-28.97,;30.94,-27.43,;29.6,-26.66,;28.28,-27.44,;26.94,-26.66,;26.94,-25.12,;25.6,-24.35,;28.27,-24.35,;29.6,-25.12,;29.61,-29.74,;33.61,-28.96,;34.94,-29.73,;36.27,-28.96,;36.26,-27.41,;34.92,-26.65,;33.6,-27.42,)|
CSc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:8.7,wD:11.11,(15.82,-31.34,;17.16,-32.11,;18.49,-31.34,;19.82,-32.11,;21.16,-31.34,;21.16,-29.79,;19.82,-29.02,;19.82,-27.48,;18.48,-26.72,;17.15,-27.49,;15.82,-26.72,;15.82,-25.17,;14.48,-24.4,;17.15,-24.41,;18.48,-25.17,;18.49,-29.8,;22.49,-29.01,;23.82,-29.78,;25.15,-29.01,;25.14,-27.47,;23.8,-26.7,;22.48,-27.48,)|
CCCCNc1ncc(c(N[C@H]2C[C@H](O)C2)n1)-c1ccccn1 |r,wU:11.10,wD:13.13,(17.41,-20.14,;18.75,-19.37,;20.08,-20.14,;21.42,-19.37,;22.75,-20.14,;24.08,-19.37,;25.42,-20.14,;26.76,-19.37,;26.75,-17.82,;25.41,-17.06,;25.41,-15.52,;24.07,-14.75,;22.64,-15.31,;22.08,-13.88,;20.67,-13.26,;23.52,-13.32,;24.09,-17.83,;28.08,-17.05,;29.41,-17.82,;30.74,-17.04,;30.74,-15.5,;29.39,-14.74,;28.08,-15.51,)|
CCCCNc1ncc(c(N[C@@H]2CC[C@@H](O)C2)n1)-c1ccccn1 |r|
CCCCNc1ncc(c(N[C@H]2CC[C@H](CN)CC2)n1)-c1ccccn1 |r,wU:11.10,wD:14.14,(31.68,-9.79,;33.01,-9.02,;34.35,-9.79,;35.68,-9.02,;37.01,-9.8,;38.35,-9.03,;39.68,-9.8,;41.02,-9.03,;41.01,-7.48,;39.68,-6.71,;39.67,-5.17,;38.34,-4.41,;37.01,-5.18,;35.67,-4.4,;35.67,-2.86,;34.34,-2.09,;34.34,-.55,;37.01,-2.09,;38.34,-2.86,;38.35,-7.48,;42.34,-6.7,;43.68,-7.47,;45,-6.7,;45,-5.16,;43.65,-4.39,;42.34,-5.16,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](N)CC2)n1)-c1ccccn1 |r,wU:11.10,wD:14.14,(15.98,-7.45,;17.32,-6.68,;18.65,-7.45,;19.98,-6.68,;21.32,-7.45,;22.65,-6.69,;23.98,-7.46,;25.32,-6.68,;25.32,-5.13,;23.98,-4.37,;23.98,-2.83,;22.64,-2.06,;21.31,-2.84,;19.98,-2.06,;19.98,-.52,;18.64,.26,;21.31,.25,;22.64,-.52,;22.65,-5.14,;26.65,-4.36,;27.98,-5.13,;29.31,-4.36,;29.3,-2.81,;27.96,-2.05,;26.64,-2.82,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCCO)cn1 |r,wU:11.10,wD:14.14,(43.3,-58.78,;44.63,-58.01,;45.97,-58.78,;47.3,-58.01,;48.63,-58.78,;49.97,-58.01,;51.3,-58.78,;52.64,-58.01,;52.63,-56.46,;51.3,-55.7,;51.29,-54.16,;49.96,-53.39,;48.63,-54.16,;47.29,-53.39,;47.29,-51.84,;45.96,-51.07,;48.63,-51.08,;49.96,-51.84,;49.97,-56.47,;53.96,-55.68,;55.3,-56.46,;56.63,-55.68,;56.62,-54.14,;57.95,-53.36,;59.29,-54.13,;60.62,-53.35,;61.96,-54.11,;63.28,-53.34,;55.27,-53.38,;53.95,-54.15,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC2)cn1 |r,wU:11.10,wD:14.14,(20.96,-58.36,;22.3,-57.6,;23.63,-58.37,;24.96,-57.6,;26.3,-58.37,;27.63,-57.6,;28.96,-58.37,;30.3,-57.6,;30.3,-56.05,;28.96,-55.28,;28.96,-53.74,;27.62,-52.98,;26.29,-53.75,;24.96,-52.98,;24.96,-51.43,;23.62,-50.66,;26.29,-50.67,;27.62,-51.43,;27.63,-56.06,;31.63,-55.27,;32.96,-56.04,;34.29,-55.27,;34.28,-53.73,;35.61,-52.95,;36.95,-53.72,;38.28,-52.94,;39.81,-52.93,;39.04,-51.6,;32.94,-52.96,;31.61,-53.74,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCCC2)cn1 |r,wU:11.10,wD:14.14,(-.85,-56.03,;.49,-55.27,;1.83,-56.04,;3.16,-55.27,;4.49,-56.04,;5.83,-55.27,;7.16,-56.04,;8.5,-55.27,;8.49,-53.72,;7.16,-52.95,;7.15,-51.42,;5.82,-50.65,;4.49,-51.42,;3.16,-50.65,;3.15,-49.1,;1.82,-48.33,;4.49,-48.34,;5.82,-49.1,;5.83,-53.73,;9.83,-52.94,;11.16,-53.71,;12.49,-52.94,;12.48,-51.4,;13.81,-50.62,;15.15,-51.39,;16.48,-50.61,;17.81,-51.38,;19.14,-50.61,;19.14,-49.07,;17.8,-48.3,;16.46,-49.08,;11.14,-50.63,;9.81,-51.41,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(NC(=O)C2CCN(C)CC2)cn1 |r,wU:11.10,wD:14.14,(41.44,-46.25,;42.77,-45.48,;44.11,-46.25,;45.44,-45.48,;46.77,-46.25,;48.11,-45.48,;49.44,-46.25,;50.78,-45.48,;50.78,-43.93,;49.44,-43.17,;49.44,-41.63,;48.1,-40.86,;46.77,-41.63,;45.44,-40.86,;45.44,-39.32,;44.1,-38.54,;46.77,-38.55,;48.1,-39.31,;48.11,-43.94,;52.11,-43.16,;53.44,-43.93,;54.77,-43.15,;54.76,-41.61,;56.09,-40.83,;57.43,-41.6,;57.44,-43.14,;58.76,-40.82,;60.09,-41.59,;61.42,-40.82,;61.42,-39.28,;62.75,-38.51,;60.08,-38.51,;58.74,-39.29,;53.42,-40.85,;52.09,-41.62,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)NC1CCN(C)CC1 |r,wU:11.10,wD:14.14,(42.31,-47.3,;43.64,-46.53,;44.98,-47.3,;46.31,-46.53,;47.64,-47.3,;48.98,-46.53,;50.31,-47.3,;51.65,-46.53,;51.65,-44.98,;50.31,-44.22,;50.31,-42.68,;48.97,-41.91,;47.64,-42.68,;46.31,-41.91,;46.31,-40.36,;44.97,-39.59,;47.64,-39.6,;48.97,-40.36,;48.98,-44.99,;52.98,-44.2,;54.31,-44.98,;55.64,-44.2,;55.63,-42.66,;54.29,-41.9,;52.96,-42.67,;56.96,-41.88,;56.95,-40.34,;58.3,-42.65,;59.63,-41.87,;60.96,-42.64,;62.29,-41.87,;62.29,-40.33,;63.62,-39.56,;60.95,-39.56,;59.61,-40.34,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)S(=O)(=O)N1CCOCC1 |r,wU:11.10,wD:14.14,(17.06,-43.23,;18.4,-42.47,;19.73,-43.24,;21.06,-42.47,;22.4,-43.24,;23.73,-42.47,;25.07,-43.24,;26.4,-42.47,;26.4,-40.92,;25.06,-40.15,;25.06,-38.61,;23.72,-37.85,;22.4,-38.62,;21.06,-37.85,;21.06,-36.3,;19.73,-35.53,;22.39,-35.54,;23.72,-36.3,;23.73,-40.93,;27.73,-40.14,;29.06,-40.91,;30.39,-40.14,;30.39,-38.6,;29.04,-37.83,;27.72,-38.61,;31.72,-37.82,;32.48,-36.48,;30.94,-36.49,;33.05,-38.59,;33.05,-40.13,;34.38,-40.89,;35.71,-40.12,;35.71,-38.58,;34.37,-37.81,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN(C)C)cn1 |r,wU:11.10,wD:14.14,(-4.06,-43.37,;-2.72,-42.6,;-1.39,-43.37,;-.05,-42.6,;1.29,-43.37,;2.62,-42.6,;3.96,-43.37,;5.29,-42.6,;5.29,-41.05,;3.95,-40.29,;3.95,-38.75,;2.61,-37.98,;1.29,-38.75,;-.06,-37.98,;-.06,-36.44,;-1.39,-35.67,;1.29,-35.67,;2.61,-36.44,;2.63,-41.06,;6.62,-40.28,;7.95,-41.05,;9.28,-40.27,;9.27,-38.73,;10.6,-37.96,;11.94,-38.72,;13.26,-37.94,;11.95,-40.26,;7.93,-37.97,;6.6,-38.75,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCC(F)(F)CC2)cn1 |r,wU:11.10,wD:14.14,(52.92,-33.3,;54.26,-32.53,;55.59,-33.3,;56.93,-32.54,;58.26,-33.31,;59.59,-32.54,;60.93,-33.31,;62.26,-32.54,;62.26,-30.99,;60.92,-30.22,;60.92,-28.68,;59.58,-27.92,;58.26,-28.69,;56.92,-27.91,;56.92,-26.37,;55.59,-25.6,;58.26,-25.6,;59.58,-26.37,;59.6,-30.99,;63.59,-30.21,;64.92,-30.98,;66.25,-30.21,;66.25,-28.67,;67.58,-27.89,;68.91,-28.65,;68.91,-30.19,;70.24,-30.96,;71.58,-30.19,;72.35,-31.52,;73.12,-30.18,;71.57,-28.64,;70.23,-27.87,;64.9,-27.9,;63.58,-28.68,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cccc(CN2CCOCC2)n1 |r,wU:11.10,wD:14.14,(35.47,-32.95,;36.81,-32.18,;38.14,-32.95,;39.47,-32.19,;40.81,-32.96,;42.14,-32.19,;43.48,-32.96,;44.81,-32.19,;44.81,-30.64,;43.47,-29.87,;43.47,-28.33,;42.13,-27.57,;40.81,-28.34,;39.47,-27.56,;39.47,-26.02,;38.14,-25.25,;40.8,-25.25,;42.13,-26.02,;42.14,-30.64,;46.14,-29.86,;47.47,-30.63,;48.8,-29.86,;48.79,-28.32,;47.45,-27.55,;47.44,-26.01,;48.77,-25.23,;50.1,-26,;51.43,-25.22,;51.42,-23.68,;50.08,-22.92,;48.75,-23.69,;46.12,-28.33,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(CN2CCOCC2)ccn1 |r,wU:11.10,wD:14.14,(16.07,-32.76,;17.4,-31.99,;18.74,-32.76,;20.07,-31.99,;21.4,-32.76,;22.74,-31.99,;24.07,-32.77,;25.41,-31.99,;25.4,-30.44,;24.07,-29.68,;24.06,-28.14,;22.73,-27.37,;21.4,-28.15,;20.06,-27.37,;20.06,-25.83,;18.73,-25.06,;21.4,-25.06,;22.73,-25.83,;22.74,-30.45,;26.73,-29.67,;28.07,-30.44,;29.4,-29.67,;30.73,-30.43,;32.06,-29.66,;33.39,-30.43,;34.72,-29.66,;34.72,-28.12,;33.39,-27.35,;32.05,-28.12,;29.39,-28.12,;28.05,-27.36,;26.72,-28.14,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |r,wU:11.10,wD:14.14,(37.6,-21.62,;38.94,-20.85,;40.27,-21.62,;41.6,-20.85,;42.94,-21.62,;44.27,-20.86,;45.61,-21.63,;46.94,-20.85,;46.94,-19.3,;45.6,-18.54,;45.6,-17,;44.26,-16.23,;42.94,-17.01,;41.6,-16.23,;41.6,-14.69,;40.26,-13.92,;42.93,-13.92,;44.26,-14.69,;44.27,-19.31,;48.27,-18.53,;49.6,-19.3,;50.93,-18.53,;50.92,-16.98,;52.25,-16.21,;53.59,-16.97,;53.59,-18.51,;54.92,-19.27,;56.25,-18.5,;57.59,-19.27,;56.25,-16.96,;54.91,-16.19,;49.58,-16.22,;48.25,-17,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)N1CCN(C)CC1 |r,wU:11.10,wD:14.14,(13.34,-23.32,;14.67,-22.55,;16,-23.32,;17.34,-22.56,;18.67,-23.33,;20.01,-22.56,;21.34,-23.33,;22.68,-22.56,;22.67,-21.01,;21.34,-20.24,;21.33,-18.7,;20,-17.94,;18.67,-18.71,;17.33,-17.93,;17.33,-16.39,;16,-15.62,;18.67,-15.62,;20,-16.39,;20.01,-21.01,;24,-20.23,;25.33,-21,;26.66,-20.23,;26.66,-18.69,;25.31,-17.92,;23.99,-18.7,;27.99,-17.91,;29.31,-18.68,;30.64,-17.91,;30.64,-16.37,;31.97,-15.6,;29.3,-15.6,;27.97,-16.37,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(F)cn1 |r,wU:11.10,wD:14.14,(-.58,-23.28,;.77,-22.52,;2.11,-23.29,;3.44,-22.52,;4.77,-23.29,;6.11,-22.52,;7.44,-23.29,;8.78,-22.52,;8.77,-20.97,;7.44,-20.2,;7.43,-18.66,;6.1,-17.9,;4.77,-18.67,;3.44,-17.9,;3.43,-16.35,;2.1,-15.58,;4.77,-15.59,;6.1,-16.35,;6.11,-20.98,;10.11,-20.19,;11.44,-20.96,;12.77,-20.19,;12.76,-18.65,;14.09,-17.87,;11.42,-17.88,;10.09,-18.66,)|
CCCCNc1nccc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:11.10,wD:14.14,(64.45,-12.61,;65.79,-11.84,;67.12,-12.61,;68.46,-11.84,;69.79,-12.61,;71.12,-11.84,;72.46,-12.61,;73.79,-11.84,;73.79,-10.29,;72.45,-9.53,;72.45,-7.99,;71.11,-7.22,;69.79,-7.99,;68.45,-7.22,;68.45,-5.68,;67.12,-4.9,;69.79,-4.91,;71.11,-5.67,;71.12,-10.3,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(F)cc1 |r,wU:11.10,wD:14.14,(47.19,-12.18,;48.53,-11.41,;49.86,-12.18,;51.2,-11.41,;52.53,-12.18,;53.86,-11.41,;55.2,-12.19,;56.54,-11.41,;56.53,-9.86,;55.19,-9.1,;55.19,-7.56,;53.85,-6.79,;52.53,-7.56,;51.19,-6.79,;51.19,-5.25,;49.86,-4.48,;52.53,-4.48,;53.85,-5.25,;53.87,-9.87,;57.86,-9.09,;59.19,-9.86,;60.52,-9.08,;60.52,-7.54,;61.85,-6.77,;59.17,-6.78,;57.85,-7.56,)|
CCCCNc1ncc(-c2cccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(31.69,-11.71,;33.03,-10.94,;34.36,-11.71,;35.7,-10.95,;37.03,-11.72,;38.36,-10.95,;39.7,-11.72,;41.04,-10.95,;41.03,-9.4,;42.36,-8.62,;43.69,-9.39,;45.02,-8.62,;45.02,-7.08,;43.67,-6.31,;42.35,-7.09,;39.69,-8.63,;39.69,-7.09,;38.35,-6.33,;37.03,-7.1,;35.69,-6.32,;35.69,-4.78,;34.36,-4.01,;37.03,-4.01,;38.35,-4.78,;38.37,-9.4,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)N1CCOCC1 |r,wU:4.7,wD:1.0,(27.91,-50.35,;29.24,-51.12,;29.24,-52.66,;30.58,-53.43,;31.91,-52.66,;31.91,-51.12,;30.58,-50.35,;33.24,-53.43,;33.25,-54.97,;31.92,-55.74,;31.92,-57.28,;33.25,-58.05,;34.59,-57.28,;34.58,-55.73,;35.91,-54.96,;35.91,-53.42,;37.25,-55.72,;38.58,-54.95,;39.91,-55.72,;41.24,-54.94,;41.24,-53.4,;39.89,-52.64,;38.57,-53.42,;42.56,-52.62,;41.79,-51.28,;43.33,-51.28,;43.9,-53.39,;43.9,-54.92,;45.23,-55.68,;46.56,-54.91,;46.56,-53.37,;45.22,-52.6,;30.58,-58.05,;29.26,-57.27,;27.93,-58.03,;27.92,-59.57,;29.25,-60.35,;30.59,-59.58,)|
CN(C)c1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(5.16,-56.77,;6.49,-57.54,;6.49,-59.08,;7.82,-56.77,;9.16,-57.54,;10.5,-56.77,;10.49,-55.22,;11.82,-54.45,;11.81,-52.91,;13.16,-55.21,;14.49,-54.44,;15.82,-55.21,;17.15,-54.43,;17.14,-52.89,;15.8,-52.13,;14.48,-52.91,;18.47,-52.11,;17.7,-50.77,;19.24,-50.77,;19.81,-52.88,;19.81,-54.41,;21.14,-55.17,;22.47,-54.4,;22.47,-52.86,;21.13,-52.09,;9.16,-54.46,;9.15,-52.92,;7.82,-52.15,;6.49,-52.92,;5.15,-52.15,;5.15,-50.61,;3.82,-49.84,;6.49,-49.84,;7.82,-50.61,;7.83,-55.23,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(F)cc2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(51.68,-38.67,;53.01,-39.44,;53.01,-40.98,;54.35,-41.76,;55.67,-40.99,;55.67,-39.44,;54.35,-38.68,;57.01,-41.75,;57.01,-43.29,;55.69,-44.06,;55.68,-45.61,;54.35,-46.38,;53.02,-45.61,;51.68,-46.37,;50.36,-45.59,;49.03,-46.36,;49.02,-47.9,;47.68,-48.66,;50.35,-48.67,;51.69,-47.91,;57.02,-46.38,;58.35,-45.61,;58.35,-44.06,;59.68,-43.28,;59.67,-41.74,;61.02,-44.05,;62.35,-43.27,;63.68,-44.04,;65.01,-43.27,;65,-41.73,;63.66,-40.96,;62.33,-41.74,;66.33,-40.95,;65.56,-39.61,;67.1,-39.6,;67.67,-41.71,;67.67,-43.25,;69,-44.01,;70.33,-43.24,;70.33,-41.7,;68.99,-40.93,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NC2CCOCC2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(27.5,-38.82,;28.84,-39.59,;28.84,-41.13,;30.17,-41.9,;31.5,-41.13,;31.5,-39.58,;30.17,-38.82,;32.84,-41.9,;32.84,-43.44,;31.51,-44.21,;31.51,-45.75,;30.18,-46.52,;28.84,-45.75,;28.85,-44.21,;27.53,-43.44,;26.19,-44.2,;26.18,-45.74,;27.52,-46.52,;32.84,-46.52,;34.18,-45.75,;34.18,-44.2,;35.51,-43.43,;35.5,-41.89,;36.84,-44.19,;38.17,-43.42,;39.51,-44.19,;40.84,-43.41,;40.83,-41.87,;39.49,-41.11,;38.16,-41.89,;42.16,-41.09,;41.38,-39.75,;42.93,-39.75,;43.5,-41.86,;43.5,-43.39,;44.83,-44.16,;46.16,-43.38,;46.16,-41.84,;44.82,-41.07,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NC2CCCCC2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(3.66,-38.22,;4.99,-38.99,;4.99,-40.53,;6.33,-41.3,;7.65,-40.53,;7.65,-38.99,;6.32,-38.22,;8.99,-41.3,;8.99,-42.84,;7.66,-43.61,;7.66,-45.15,;6.33,-45.92,;4.99,-45.15,;4.99,-43.61,;3.67,-42.84,;2.33,-43.6,;2.33,-45.14,;3.66,-45.92,;8.99,-45.92,;10.33,-45.15,;10.33,-43.6,;11.66,-42.83,;11.65,-41.29,;12.99,-43.59,;14.32,-42.82,;15.66,-43.59,;16.99,-42.81,;16.98,-41.27,;15.63,-40.51,;14.31,-41.29,;18.31,-40.49,;17.53,-39.15,;19.08,-39.15,;19.65,-41.26,;19.64,-42.79,;20.97,-43.56,;22.31,-42.79,;22.3,-41.24,;20.96,-40.47,)|
CC(C)Nc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(51.96,-34.69,;53.29,-33.92,;53.29,-32.38,;54.62,-34.69,;55.96,-33.92,;57.29,-34.69,;58.63,-33.92,;58.62,-32.37,;59.95,-31.59,;59.95,-30.05,;61.29,-32.36,;62.62,-31.58,;63.95,-32.35,;65.28,-31.58,;65.28,-30.04,;63.93,-29.28,;62.61,-30.05,;66.61,-29.26,;65.83,-27.92,;67.38,-27.91,;67.95,-30.03,;67.94,-31.56,;69.27,-32.32,;70.61,-31.55,;70.6,-30.01,;69.26,-29.24,;57.29,-31.6,;57.28,-30.07,;55.95,-29.3,;54.62,-30.07,;53.29,-29.3,;53.28,-27.75,;51.95,-26.98,;54.62,-26.99,;55.95,-27.75,;55.96,-32.38,)|
OCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(24.63,-35.11,;25.96,-34.34,;27.3,-35.11,;28.63,-34.34,;29.96,-35.12,;31.3,-34.35,;32.63,-35.12,;33.97,-34.35,;33.96,-32.8,;35.29,-32.02,;35.29,-30.48,;36.63,-32.79,;37.96,-32.01,;39.29,-32.78,;40.62,-32.01,;40.62,-30.47,;39.27,-29.7,;37.95,-30.48,;41.95,-29.68,;41.17,-28.35,;42.72,-28.34,;43.28,-30.45,;43.28,-31.99,;44.61,-32.75,;45.94,-31.98,;45.94,-30.44,;44.6,-29.67,;32.63,-32.03,;32.62,-30.49,;31.29,-29.73,;29.96,-30.5,;28.62,-29.72,;28.62,-28.18,;27.29,-27.41,;29.96,-27.41,;31.29,-28.18,;31.3,-32.8,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NCCCC(F)(F)F)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(4.09,-26.59,;5.43,-27.36,;5.43,-28.9,;6.76,-29.68,;8.09,-28.9,;8.09,-27.36,;6.76,-26.59,;9.43,-29.67,;9.43,-31.21,;8.1,-31.98,;8.1,-33.53,;6.76,-34.29,;5.43,-33.52,;4.1,-34.29,;2.76,-33.52,;1.43,-34.29,;.1,-33.52,;1.43,-35.83,;.09,-35.05,;9.43,-34.3,;10.77,-33.52,;10.77,-31.97,;12.1,-31.2,;12.09,-29.66,;13.43,-31.96,;14.76,-31.19,;16.1,-31.96,;17.43,-31.19,;17.42,-29.64,;16.08,-28.88,;14.75,-29.66,;18.75,-28.86,;17.97,-27.52,;19.52,-27.52,;20.09,-29.63,;20.08,-31.17,;21.41,-31.93,;22.75,-31.16,;22.74,-29.62,;21.41,-28.84,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NCCC2CC2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(51.32,-15.73,;52.65,-16.5,;52.65,-18.04,;53.99,-18.82,;55.31,-18.05,;55.31,-16.5,;53.98,-15.73,;56.65,-18.81,;56.65,-20.35,;55.32,-21.12,;55.32,-22.67,;53.99,-23.44,;52.65,-22.66,;51.32,-23.43,;49.99,-22.66,;49.22,-21.33,;48.45,-22.66,;56.66,-23.44,;57.99,-22.67,;57.99,-21.12,;59.32,-20.34,;59.31,-18.8,;60.65,-21.11,;61.99,-20.33,;63.32,-21.1,;64.65,-20.33,;64.64,-18.79,;63.3,-18.02,;61.97,-18.8,;65.97,-18,;65.2,-16.67,;66.74,-16.66,;67.31,-18.77,;67.31,-20.31,;68.64,-21.07,;69.97,-20.3,;69.97,-18.76,;68.63,-17.99,)|
CCCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:30.31,wD:33.35,(23.85,-22.37,;25.18,-23.14,;26.52,-22.37,;27.85,-23.14,;29.18,-22.37,;30.52,-23.14,;31.85,-22.37,;33.19,-23.14,;34.52,-22.37,;34.52,-20.82,;35.85,-20.05,;35.84,-18.51,;37.18,-20.81,;38.52,-20.04,;39.85,-20.81,;41.18,-20.03,;41.17,-18.49,;39.83,-17.73,;38.5,-18.51,;42.5,-17.71,;41.73,-16.37,;43.27,-16.37,;43.84,-18.48,;43.84,-20.01,;45.17,-20.78,;46.5,-20.01,;46.5,-18.46,;45.16,-17.69,;33.18,-20.06,;33.18,-18.52,;31.84,-17.75,;30.52,-18.52,;29.18,-17.75,;29.18,-16.21,;27.84,-15.44,;30.51,-15.44,;31.84,-16.2,;31.85,-20.83,)|
CCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(2.34,-21.85,;3.67,-22.62,;5,-21.85,;6.34,-22.62,;7.67,-21.85,;9.01,-22.62,;10.34,-21.85,;10.34,-20.3,;11.67,-19.52,;11.66,-17.98,;13,-20.29,;14.34,-19.51,;15.67,-20.29,;17,-19.51,;16.99,-17.97,;15.65,-17.21,;14.32,-17.98,;18.32,-17.19,;17.55,-15.85,;19.09,-15.85,;19.66,-17.96,;19.66,-19.49,;20.99,-20.25,;22.32,-19.48,;22.32,-17.94,;20.98,-17.17,;9,-19.54,;9,-18,;7.66,-17.23,;6.34,-18,;5,-17.23,;5,-15.69,;3.67,-14.91,;6.33,-14.92,;7.66,-15.68,;7.67,-20.31,)|
CCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(50.31,-10.83,;51.65,-10.06,;52.98,-10.83,;54.31,-10.06,;55.65,-10.83,;56.98,-10.06,;56.98,-8.51,;58.31,-7.73,;58.3,-6.19,;59.65,-8.5,;60.98,-7.72,;62.31,-8.5,;63.64,-7.72,;63.64,-6.18,;62.29,-5.42,;60.97,-6.19,;64.96,-5.4,;64.19,-4.06,;65.73,-4.06,;66.3,-6.17,;66.3,-7.7,;67.63,-8.46,;68.96,-7.69,;68.96,-6.15,;67.62,-5.38,;55.64,-7.75,;55.64,-6.21,;54.3,-5.44,;52.98,-6.21,;51.64,-5.44,;51.64,-3.89,;50.31,-3.12,;52.98,-3.13,;54.3,-3.89,;54.31,-8.52,)|
CNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(28.37,-10.25,;29.71,-11.02,;31.04,-10.25,;32.37,-11.02,;33.71,-10.25,;33.7,-8.7,;35.04,-7.93,;35.03,-6.39,;36.37,-8.69,;37.7,-7.92,;39.03,-8.69,;40.36,-7.91,;40.36,-6.37,;39.01,-5.61,;37.69,-6.39,;41.69,-5.59,;40.91,-4.25,;42.46,-4.25,;43.02,-6.36,;43.02,-7.89,;44.35,-8.66,;45.68,-7.89,;45.68,-6.34,;44.34,-5.57,;32.37,-7.94,;32.37,-6.4,;31.03,-5.63,;29.7,-6.4,;28.37,-5.63,;28.37,-4.09,;27.03,-3.32,;29.7,-3.32,;31.03,-4.09,;31.04,-8.71,)|
Nc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.26,wD:28.30,(5.87,-10.2,;7.2,-9.43,;8.54,-10.21,;9.87,-9.43,;9.87,-7.88,;11.2,-7.11,;11.19,-5.57,;12.53,-7.87,;13.86,-7.1,;15.2,-7.87,;16.53,-7.1,;16.52,-5.56,;15.18,-4.79,;13.85,-5.57,;17.85,-4.77,;17.07,-3.44,;18.62,-3.43,;19.19,-5.54,;19.18,-7.08,;20.51,-7.84,;21.85,-7.07,;21.84,-5.53,;20.5,-4.76,;8.53,-7.12,;8.53,-5.58,;7.19,-4.82,;5.87,-5.59,;4.53,-4.81,;4.53,-3.27,;3.2,-2.5,;5.87,-2.5,;7.19,-3.27,;7.2,-7.89,)|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCc2ccncc2)n1
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:29.30,wD:32.34,(.04,-21.39,;1.37,-20.63,;2.71,-21.4,;4.04,-20.63,;5.37,-21.4,;6.71,-20.63,;8.04,-21.4,;9.38,-20.63,;9.37,-19.08,;10.7,-18.3,;10.7,-16.76,;12.04,-19.07,;13.37,-18.29,;14.71,-19.07,;16.03,-18.29,;16.03,-16.75,;14.68,-15.99,;13.36,-16.76,;17.36,-15.97,;16.58,-14.63,;18.13,-14.62,;18.7,-16.74,;18.69,-18.27,;20.02,-19.03,;21.36,-18.26,;21.35,-16.72,;20.01,-15.95,;8.04,-18.32,;8.03,-16.78,;6.7,-16.01,;5.36,-16.79,;4.03,-16.01,;4.03,-14.47,;2.69,-13.7,;5.36,-13.71,;6.69,-14.47,;6.71,-19.09,)|
CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N
CCCCNc1ncc(C(=O)NCc2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(1.93,-9.16,;3.26,-8.39,;4.6,-9.16,;5.93,-8.39,;7.26,-9.17,;8.6,-8.4,;9.93,-9.17,;11.27,-8.4,;11.26,-6.85,;12.59,-6.07,;12.59,-4.53,;13.93,-6.84,;15.26,-6.06,;16.6,-6.83,;16.6,-8.36,;17.93,-9.13,;19.27,-8.35,;20.6,-9.12,;19.26,-6.8,;17.92,-6.05,;9.93,-6.08,;9.92,-4.54,;8.59,-3.78,;7.25,-4.56,;5.92,-3.78,;5.92,-2.24,;4.58,-1.47,;7.25,-1.47,;8.58,-2.24,;8.6,-6.85,)|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(46.77,-58.29,;48.1,-57.52,;49.43,-58.29,;50.77,-57.52,;52.1,-58.3,;53.43,-57.53,;54.77,-58.3,;56.11,-57.53,;56.1,-55.98,;57.43,-55.2,;57.43,-53.66,;58.77,-55.97,;60.1,-55.19,;61.43,-55.96,;62.76,-55.19,;62.76,-53.65,;61.41,-52.88,;60.09,-53.66,;64.09,-52.87,;64.85,-51.53,;63.31,-51.54,;65.42,-53.63,;65.42,-55.17,;66.75,-55.93,;68.08,-55.16,;68.08,-53.62,;66.74,-52.85,;54.76,-55.21,;54.76,-53.67,;53.42,-52.91,;52.09,-53.69,;50.75,-52.91,;50.75,-51.37,;49.42,-50.6,;52.09,-50.6,;53.42,-51.37,;53.44,-55.98,)|
CCCCNc1ncc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(21.61,-58.16,;22.95,-57.39,;24.28,-58.16,;25.61,-57.39,;26.95,-58.16,;28.28,-57.39,;29.62,-58.16,;30.95,-57.39,;30.95,-55.84,;32.28,-55.07,;32.27,-53.53,;33.61,-55.83,;34.95,-55.06,;36.28,-55.83,;37.61,-55.06,;37.6,-53.51,;38.93,-52.74,;40.27,-53.5,;40.27,-55.03,;41.6,-55.8,;42.93,-55.03,;42.93,-53.49,;41.59,-52.71,;36.26,-52.75,;34.93,-53.53,;29.61,-55.08,;29.61,-53.54,;28.27,-52.77,;26.94,-53.55,;25.6,-52.78,;25.6,-51.24,;24.27,-50.47,;26.94,-50.47,;28.26,-51.23,;28.28,-55.85,)|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-.47,-58.49,;.87,-57.72,;2.21,-58.49,;3.54,-57.72,;4.87,-58.49,;6.21,-57.72,;7.54,-58.49,;8.88,-57.72,;8.87,-56.17,;10.21,-55.4,;10.2,-53.86,;11.54,-56.16,;12.87,-55.39,;14.21,-56.16,;15.54,-55.38,;15.53,-53.84,;14.18,-53.08,;12.86,-53.86,;16.86,-53.07,;18.19,-53.83,;19.52,-53.06,;19.52,-51.52,;18.18,-50.75,;16.84,-51.53,;7.54,-55.41,;7.53,-53.87,;6.2,-53.1,;4.86,-53.88,;3.53,-53.11,;3.53,-51.57,;2.19,-50.8,;4.86,-50.8,;6.19,-51.56,;6.21,-56.18,)|
CCCCNc1ncc(C(=O)Nc2cccc(OC)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(37.13,-46.79,;38.46,-46.02,;39.8,-46.79,;41.13,-46.02,;42.46,-46.79,;43.8,-46.02,;45.13,-46.79,;46.47,-46.02,;46.46,-44.47,;47.79,-43.7,;47.79,-42.16,;49.13,-44.46,;50.46,-43.69,;50.45,-42.16,;51.77,-41.38,;53.12,-42.14,;53.12,-43.68,;54.46,-44.45,;55.79,-43.68,;51.79,-44.46,;45.13,-43.71,;45.12,-42.17,;43.79,-41.4,;42.45,-42.18,;41.12,-41.41,;41.12,-39.87,;39.78,-39.1,;42.45,-39.1,;43.78,-39.86,;43.8,-44.48,)|
CCCCNc1ncc(C(=O)NC2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(39.42,-35.6,;40.75,-34.83,;42.08,-35.6,;43.42,-34.83,;44.75,-35.6,;46.08,-34.83,;47.42,-35.6,;48.76,-34.83,;48.75,-33.28,;50.08,-32.51,;50.08,-30.97,;51.42,-33.27,;52.75,-32.5,;54.08,-33.27,;55.41,-32.5,;55.41,-30.96,;54.07,-30.19,;52.74,-30.96,;47.41,-32.52,;47.41,-30.98,;46.07,-30.21,;44.74,-30.99,;43.4,-30.22,;43.4,-28.67,;42.07,-27.9,;44.74,-27.91,;46.07,-28.67,;46.09,-33.29,)|
CCCCNc1ncc(C(=O)NC2CCN(CC2)c2ncccn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(19.76,-36.09,;21.1,-35.32,;22.43,-36.09,;23.76,-35.32,;25.1,-36.09,;26.43,-35.32,;27.76,-36.09,;29.1,-35.32,;29.1,-33.77,;30.43,-33,;30.42,-31.46,;31.76,-33.76,;33.09,-32.99,;34.43,-33.76,;35.76,-32.99,;35.76,-31.45,;34.42,-30.68,;33.08,-31.45,;37.09,-30.68,;38.42,-31.45,;39.75,-30.68,;39.75,-29.14,;38.41,-28.37,;37.08,-29.14,;27.76,-33.01,;27.76,-31.47,;26.42,-30.7,;25.09,-31.48,;23.75,-30.71,;23.75,-29.16,;22.42,-28.39,;25.08,-28.4,;26.41,-29.16,;26.43,-33.78,)|
CCCCNc1ncc(C(=O)NC2CCN(CC2)C(C)C)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.23,wD:26.27,(.87,-34.95,;2.2,-34.18,;3.54,-34.95,;4.87,-34.19,;6.21,-34.96,;7.54,-34.19,;8.87,-34.96,;10.21,-34.19,;10.21,-32.64,;11.54,-31.86,;11.53,-30.32,;12.87,-32.63,;14.2,-31.85,;15.54,-32.62,;16.86,-31.85,;16.87,-30.31,;15.53,-29.54,;14.19,-30.31,;18.2,-29.54,;19.53,-30.31,;18.2,-28,;8.87,-31.87,;8.87,-30.33,;7.53,-29.57,;6.2,-30.35,;4.86,-29.57,;4.86,-28.03,;3.52,-27.26,;6.19,-27.26,;7.52,-28.03,;7.54,-32.64,)|
CCCCNc1ncc(C(=O)N2CCC(N)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(54.73,-23.53,;56.06,-22.76,;57.39,-23.53,;58.73,-22.76,;60.06,-23.53,;61.4,-22.76,;62.73,-23.53,;64.07,-22.76,;64.06,-21.21,;65.39,-20.43,;65.39,-18.89,;66.73,-21.2,;66.73,-22.73,;68.06,-23.5,;69.39,-22.73,;70.73,-23.5,;69.39,-21.19,;68.05,-20.42,;62.73,-20.45,;62.72,-18.91,;61.39,-18.14,;60.05,-18.92,;58.72,-18.15,;58.71,-16.6,;57.38,-15.83,;60.05,-15.84,;61.38,-16.6,;61.4,-21.22,)|
CCCCNc1ncc(C(=O)NC2CCNCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(37.14,-23.53,;38.48,-22.76,;39.81,-23.53,;41.15,-22.76,;42.48,-23.53,;43.81,-22.76,;45.15,-23.53,;46.48,-22.76,;46.48,-21.21,;47.81,-20.43,;47.8,-18.9,;49.15,-21.2,;50.48,-20.42,;51.81,-21.2,;53.14,-20.43,;53.14,-18.89,;51.8,-18.12,;50.47,-18.89,;45.14,-20.45,;45.14,-18.91,;43.8,-18.14,;42.47,-18.92,;41.13,-18.15,;41.13,-16.6,;39.8,-15.83,;42.47,-15.84,;43.8,-16.6,;43.82,-21.22,)|
CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)N(C)CCCC
CCCCNC(=O)c1cnc(NCCCC)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:19.19,wD:22.23,(18.97,-21.28,;17.63,-20.52,;16.3,-21.29,;14.97,-20.53,;13.64,-21.3,;12.3,-20.54,;12.29,-19,;10.97,-21.31,;10.97,-22.86,;9.64,-23.63,;8.3,-22.86,;6.97,-23.63,;5.63,-22.86,;4.3,-23.63,;2.97,-22.86,;1.63,-23.63,;8.3,-21.32,;9.63,-20.55,;9.63,-19.01,;8.29,-18.24,;6.96,-19.02,;5.62,-18.25,;5.62,-16.71,;4.29,-15.93,;6.96,-15.94,;8.28,-16.7,)|
CCCCNc1ncc(NC(=O)c2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(54.17,-10.17,;55.5,-9.4,;56.83,-10.17,;58.17,-9.41,;59.5,-10.18,;60.83,-9.41,;62.17,-10.18,;63.51,-9.41,;63.5,-7.86,;64.83,-7.08,;66.17,-7.85,;66.17,-9.39,;67.5,-7.07,;68.83,-7.84,;70.16,-7.07,;70.16,-5.53,;71.49,-4.75,;68.81,-4.76,;67.49,-5.54,;62.17,-7.09,;62.16,-5.55,;60.82,-4.79,;59.5,-5.57,;58.16,-4.79,;58.16,-3.25,;56.83,-2.48,;59.5,-2.48,;60.82,-3.25,;60.84,-7.86,)|
CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(35.28,-9.93,;36.61,-9.16,;37.95,-9.93,;39.28,-9.16,;40.61,-9.93,;41.95,-9.17,;43.28,-9.94,;44.62,-9.17,;44.61,-7.61,;45.94,-6.84,;45.94,-5.3,;47.28,-7.6,;48.61,-6.83,;49.94,-7.6,;51.27,-6.83,;51.27,-5.29,;52.6,-4.51,;49.92,-4.52,;48.6,-5.3,;43.28,-6.85,;43.27,-5.31,;41.94,-4.55,;40.6,-5.33,;39.27,-4.55,;39.26,-3.01,;37.93,-2.24,;40.6,-2.24,;41.93,-3.01,;41.95,-7.62,)|
CCCCNc1ncc(NC(=O)c2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 |r,wU:22.22,wD:25.26,(18,-11.88,;19.34,-11.11,;20.67,-11.89,;22.01,-11.12,;23.34,-11.89,;24.67,-11.12,;26.01,-11.89,;27.35,-11.12,;27.34,-9.57,;28.67,-8.79,;30.01,-9.56,;30.01,-11.1,;31.34,-8.78,;32.67,-9.55,;34,-8.78,;34,-7.24,;35.33,-6.46,;32.65,-6.47,;31.33,-7.25,;26,-8.8,;26,-7.26,;24.66,-6.5,;24.66,-4.96,;23.33,-4.2,;23.33,-2.65,;24.67,-1.88,;24.67,-.34,;26,-2.65,;26,-4.19,;24.68,-9.57,)|
CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 |r,wU:22.22,wD:25.26,(.7,-12.07,;2.03,-11.3,;3.37,-12.07,;4.7,-11.3,;6.03,-12.07,;7.37,-11.31,;8.7,-12.08,;10.04,-11.3,;10.03,-9.75,;11.37,-8.98,;11.36,-7.44,;12.7,-9.74,;14.03,-8.97,;15.37,-9.74,;16.7,-8.97,;16.69,-7.43,;18.02,-6.65,;15.35,-6.66,;14.02,-7.44,;8.7,-8.99,;8.69,-7.45,;7.36,-6.68,;7.35,-5.14,;6.02,-4.38,;6.02,-2.83,;7.36,-2.06,;7.36,-.52,;8.69,-2.83,;8.69,-4.37,;7.37,-9.76,)|
CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl
CN1CCN(Cc2ccc(cc2)-c2cn([C@H]3CC[C@H](O)CC3)c3nc(NCCC4CC4)ncc23)CC1 |r,wU:15.15,wD:18.19,(49.98,-3.61,;48.47,-3.91,;47.97,-5.37,;46.47,-5.67,;45.46,-4.51,;43.95,-4.8,;43.47,-6.27,;44.49,-7.42,;44.02,-8.88,;42.51,-9.2,;41.48,-8.06,;41.96,-6.59,;42.03,-10.66,;42.94,-11.92,;42.03,-13.17,;42.5,-14.64,;44.01,-14.96,;44.48,-16.43,;43.45,-17.57,;43.92,-19.04,;41.94,-17.24,;41.47,-15.79,;40.55,-12.69,;39.22,-13.46,;37.89,-12.69,;36.55,-13.46,;35.22,-12.69,;33.89,-13.46,;32.55,-12.69,;31.79,-11.36,;31.02,-12.69,;37.89,-11.15,;39.22,-10.38,;40.55,-11.14,;45.94,-3.05,;47.46,-2.75,)|
CN1CCN(CC1)S(=O)(=O)c1ccc(-c2cn([C@H]3CC[C@H](O)CC3)c3nc(NCCC4CC4)ncc23)c(F)c1 |r,wU:17.17,wD:20.21,(16.24,-.82,;14.73,-1.12,;14.23,-2.57,;12.73,-2.87,;11.72,-1.71,;12.2,-.26,;13.72,.04,;10.21,-2.01,;8.72,-1.61,;9.81,-.52,;9.73,-3.48,;10.75,-4.63,;10.28,-6.08,;8.77,-6.4,;8.29,-7.87,;9.2,-9.12,;8.29,-10.37,;8.77,-11.84,;10.27,-12.16,;10.74,-13.63,;9.71,-14.77,;10.18,-16.24,;8.2,-14.44,;7.73,-12.99,;6.82,-9.89,;5.48,-10.66,;4.15,-9.89,;2.82,-10.66,;1.49,-9.89,;.15,-10.66,;-1.18,-9.89,;-1.95,-8.55,;-2.72,-9.89,;4.15,-8.35,;5.48,-7.58,;6.82,-8.34,;7.74,-5.26,;6.24,-5.58,;8.22,-3.8,)|
CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:12.11,wD:15.15,(-2.75,-7.06,;-1.43,-6.29,;-.1,-7.06,;1.25,-6.3,;2.58,-7.07,;3.91,-6.3,;3.91,-4.75,;5.24,-3.99,;6.57,-4.75,;8.05,-4.27,;8.96,-5.52,;8.05,-6.78,;8.53,-8.25,;10.03,-8.56,;10.5,-10.03,;9.47,-11.17,;9.94,-12.64,;7.96,-10.85,;7.49,-9.39,;6.57,-6.3,;5.24,-7.07,;8.53,-2.8,;10.04,-2.49,;10.51,-1.03,;9.49,.13,;7.98,-.2,;7.5,-1.67,;9.97,1.58,;8.48,1.99,;9.57,3.09,;11.48,1.89,;12.49,.74,;13.99,1.03,;14.49,2.48,;13.47,3.64,;11.96,3.35,)|
c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N
CNC(=O)c1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccccc3)nn12
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cn1cc(cn1)-c1cnc(Nc2cccc(Cn3nc(ccc3=O)-c3cnn(C)c3)c2)nc1
Fc1ccc(cc1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
COc1ccc(cc1)N(C)c1nc(NC2CCCC2)c2ccccc2n1
COc1ccc(cc1)N(C)c1nc(NCCCO)c2ccccc2n1
CCCNc1nc(nc2ccccc12)N(C)c1ccc(OC)cc1
CNc1nc(nc2ccccc12)N(C)c1ccc(OC)cc1
COc1ccc(cc1)N(C)c1nc(N2CCOCC2)c2ccccc2n1
COc1ccc(cc1)N(C)c1nc(NCC2CCOCC2)c2ccccc2n1
N#Cc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
Nc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C
Fc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
Oc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
OC(=O)c1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
OCCCNc1nc(Nc2ccc(cc2)C#N)nc2ccccc12
Nc1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1
OCCCNc1nc(Nc2ccc(F)cc2)nc2ccccc12
CCCNc1nc(Nc2ccc(F)cc2)nc2ccccc12
Fc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
Nc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
COc1ccc(Nc2nc(NC3CC3)c3ccccc3n2)cc1
COc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
CNc1nc(Nc2ccc(OC)cc2)nc2ccccc12
CCCNc1nc(Nc2ccc(OC)cc2)nc2ccccc12
COc1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1
COc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(O)CCCCCCCNc4ncc2c3n4)CC1
CN1CCN(Cc2ccc(cc2)-c2cn3CCC[C@H](N)C(=O)NCCCCCCNc4ncc2c3n4)CC1 |r|
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(NC(=O)N2CCOCC2)cc1
COc1ccc(cc1)-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCC(O)CCCCCCNc4ncc2c3n4)CC1
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(O)CCCCCNc4ncc2c3n4)CC1
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)C1CCOCC1
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccncc1
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(CN2CCOCC2)cc1
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCCNc4ncc2c3n4)CC1
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccccn1
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(O)CCCCCCCCNc4ncc2c3n4)CC1
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCCCNc4ncc2c3n4)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCCCNc4ncc2c3n4)CC1
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCC(O)CCCCCCCNc4ncc2c3n4)CC1
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCNc4ncc2c3n4)CC1
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccccc1
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1cccnc1
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(cc1)C(=O)N1CCOCC1
COc1cccc(c1)-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCNc4ncc2c3n4)CC1
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCC(O)CCCCCNc4ncc2c3n4)CC1
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(O)CCCCCCNc4ncc2c3n4)CC1
CN1CCN(Cc2ccc(cc2)-c2cn3CCC[C@H](N)C(=O)NCCCCCCCCNc4ncc2c3n4)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2cn3CCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(=O)NCCCCNc4ncc2c3n4)CC1
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(cc1)N1CCOCC1
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1 |r|
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCCCCCNc4ncc2c3n4)CC1 |r|
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
COc1ccccc1-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCC(O)CCCCCCCCNc4ncc2c3n4)CC1
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(F)cc1
COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4