Compound Name

SMILES String

CN1CCN(CCc2ccc(Nc3ncc4c(n3)n(cc(C(N)=O)c4=O)-c3ccc4CCCc4c3)cc2)CC1

CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O

CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(CC(O)=O)CC3)ncc2c1=O

CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

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

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

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

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

[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

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|

CC(C)(CO)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

CC(CO)(CO)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CNCCc4n3)nc12 |r,wU:4.7,wD:1.0,(4.13,-4.37,;3.73,-2.88,;4.82,-1.79,;4.42,-.3,;2.93,.09,;1.84,-.99,;2.24,-2.48,;2.53,1.58,;3.44,2.83,;4.97,2.99,;5.6,4.4,;4.69,5.64,;3.16,5.48,;2.53,4.07,;1.07,3.6,;-.26,4.37,;-1.6,3.6,;-1.6,2.06,;-2.93,1.29,;-2.93,-.25,;-1.6,-1.02,;-1.6,-2.56,;-2.93,-3.33,;-2.93,-4.87,;-4.26,-5.64,;-5.6,-4.87,;-5.6,-3.33,;-4.26,-2.56,;-4.26,-1.02,;-.26,1.29,;1.07,2.06,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(C)=O)nc12 |r,wU:4.7,wD:1.0,(4.13,-3.21,;3.73,-1.73,;4.82,-.64,;4.42,.85,;2.93,1.25,;1.84,.16,;2.24,-1.33,;2.53,2.74,;3.44,3.98,;4.97,4.14,;5.6,5.55,;4.69,6.8,;3.16,6.64,;2.53,5.23,;1.07,4.75,;-.26,5.52,;-1.6,4.75,;-1.6,3.21,;-2.93,2.44,;-2.93,.9,;-1.6,.13,;-1.6,-1.41,;-2.93,-2.18,;-2.93,-3.72,;-4.26,-4.49,;-5.6,-3.72,;-5.6,-2.18,;-4.26,-1.41,;-4.26,.13,;-4.26,-6.03,;-2.93,-6.8,;-5.6,-6.8,;-.26,2.44,;1.07,3.21,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCO)CCc4n3)nc12 |r,wU:4.7,wD:1.0,(4.13,-3.21,;3.73,-1.73,;4.82,-.64,;4.42,.85,;2.93,1.25,;1.84,.16,;2.24,-1.33,;2.53,2.74,;3.44,3.98,;4.97,4.14,;5.6,5.55,;4.69,6.8,;3.16,6.64,;2.53,5.23,;1.07,4.75,;-.26,5.52,;-1.6,4.75,;-1.6,3.21,;-2.93,2.44,;-2.93,.9,;-1.6,.13,;-1.6,-1.41,;-2.93,-2.18,;-2.93,-3.72,;-4.26,-4.49,;-4.26,-6.03,;-2.93,-6.8,;-1.6,-6.03,;-5.6,-3.72,;-5.6,-2.18,;-4.26,-1.41,;-4.26,.13,;-.26,2.44,;1.07,3.21,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCCO)CCc4n3)nc12 |r,wU:4.7,wD:1.0,(4.13,-3.21,;3.73,-1.73,;4.82,-.64,;4.42,.85,;2.93,1.25,;1.84,.16,;2.24,-1.33,;2.53,2.74,;3.44,3.98,;4.97,4.14,;5.6,5.55,;4.69,6.8,;3.16,6.64,;2.53,5.23,;1.07,4.75,;-.26,5.52,;-1.6,4.75,;-1.6,3.21,;-2.93,2.44,;-2.93,.9,;-1.6,.13,;-1.6,-1.41,;-2.93,-2.18,;-2.93,-3.72,;-4.26,-4.49,;-4.26,-6.03,;-2.93,-6.8,;-1.6,-6.03,;-.26,-6.8,;-5.6,-3.72,;-5.6,-2.18,;-4.26,-1.41,;-4.26,.13,;-.26,2.44,;1.07,3.21,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)CO)nc12 |r,wU:4.7,wD:1.0,(4.13,-3.21,;3.73,-1.73,;4.82,-.64,;4.42,.85,;2.93,1.25,;1.84,.16,;2.24,-1.33,;2.53,2.74,;3.44,3.98,;4.97,4.14,;5.6,5.55,;4.69,6.8,;3.16,6.64,;2.53,5.23,;1.07,4.75,;-.26,5.52,;-1.6,4.75,;-1.6,3.21,;-2.93,2.44,;-2.93,.9,;-1.6,.13,;-1.6,-1.41,;-2.93,-2.18,;-2.93,-3.72,;-4.26,-4.49,;-5.6,-3.72,;-5.6,-2.18,;-4.26,-1.41,;-4.26,.13,;-4.26,-6.03,;-5.6,-6.8,;-2.93,-6.8,;-1.6,-6.03,;-.26,2.44,;1.07,3.21,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)C(O)=O)nc12 |r,wU:4.7,wD:1.0,(4.13,-2.44,;3.73,-.96,;4.82,.13,;4.42,1.62,;2.93,2.02,;1.84,.93,;2.24,-.56,;2.53,3.51,;3.44,4.75,;4.97,4.91,;5.6,6.32,;4.69,7.57,;3.16,7.41,;2.53,6,;1.07,5.52,;-.26,6.29,;-1.6,5.52,;-1.6,3.98,;-2.93,3.21,;-2.93,1.67,;-1.6,.9,;-1.6,-.64,;-2.93,-1.41,;-2.93,-2.95,;-4.26,-3.72,;-5.6,-2.95,;-5.6,-1.41,;-4.26,-.64,;-4.26,.9,;-4.26,-5.26,;-5.6,-6.03,;-2.93,-6.03,;-1.6,-5.26,;-2.93,-7.57,;-.26,3.21,;1.07,3.98,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCC(F)(F)F)CCc4n3)nc12 |r,wU:4.7,wD:1.0,(4.13,-2.93,;3.73,-1.44,;4.82,-.35,;4.42,1.13,;2.93,1.53,;1.84,.44,;2.24,-1.04,;2.53,3.02,;3.44,4.26,;4.97,4.43,;5.6,5.83,;4.69,7.08,;3.16,6.92,;2.53,5.51,;1.07,5.03,;-.26,5.8,;-1.6,5.03,;-1.6,3.49,;-2.93,2.72,;-2.93,1.18,;-1.6,.41,;-1.6,-1.13,;-2.93,-1.9,;-2.93,-3.44,;-4.26,-4.21,;-4.26,-5.75,;-2.93,-6.52,;-2.93,-8.06,;-2.93,-9.6,;-4.47,-8.06,;-1.39,-8.06,;-5.6,-3.44,;-5.6,-1.9,;-4.26,-1.13,;-4.26,.41,;-.26,2.72,;1.07,3.49,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCS(C)(=O)=O)CCc4n3)nc12 |r,wU:4.7,wD:1.0,(4.13,-3.21,;3.73,-1.73,;4.82,-.64,;4.42,.85,;2.93,1.25,;1.84,.16,;2.24,-1.33,;2.53,2.74,;3.44,3.98,;4.97,4.14,;5.6,5.55,;4.69,6.8,;3.16,6.64,;2.53,5.23,;1.07,4.75,;-.26,5.52,;-1.6,4.75,;-1.6,3.21,;-2.93,2.44,;-2.93,.9,;-1.6,.13,;-1.6,-1.41,;-2.93,-2.18,;-2.93,-3.72,;-4.26,-4.49,;-4.26,-6.03,;-2.93,-6.8,;-1.6,-6.03,;-.26,-6.8,;-2.37,-4.69,;-.83,-4.69,;-5.6,-3.72,;-5.6,-2.18,;-4.26,-1.41,;-4.26,.13,;-.26,2.44,;1.07,3.21,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCF)CCc4n3)nc12 |r,wU:4.7,wD:1.0,(4.13,-3.21,;3.73,-1.73,;4.82,-.64,;4.42,.85,;2.93,1.25,;1.84,.16,;2.24,-1.33,;2.53,2.74,;3.44,3.98,;4.97,4.14,;5.6,5.55,;4.69,6.8,;3.16,6.64,;2.53,5.23,;1.07,4.75,;-.26,5.52,;-1.6,4.75,;-1.6,3.21,;-2.93,2.44,;-2.93,.9,;-1.6,.13,;-1.6,-1.41,;-2.93,-2.18,;-2.93,-3.72,;-4.26,-4.49,;-4.26,-6.03,;-2.93,-6.8,;-1.6,-6.03,;-5.6,-3.72,;-5.6,-2.18,;-4.26,-1.41,;-4.26,.13,;-.26,2.44,;1.07,3.21,)|

COCCN1CCc2nc(Nc3ncc4c5ccncc5n([C@H]5CC[C@H](C)CC5)c4n3)ccc2C1 |r,wU:22.22,wD:25.26,(-1.6,-9.11,;-2.93,-8.34,;-2.93,-6.8,;-4.26,-6.03,;-4.26,-4.49,;-5.6,-3.72,;-5.6,-2.18,;-4.26,-1.41,;-4.26,.13,;-2.93,.9,;-2.93,2.44,;-1.6,3.21,;-1.6,4.75,;-.26,5.52,;1.07,4.75,;2.53,5.23,;3.16,6.64,;4.69,6.8,;5.6,5.55,;4.97,4.14,;3.44,3.98,;2.53,2.74,;2.93,1.25,;4.42,.85,;4.82,-.64,;3.73,-1.73,;4.13,-3.21,;2.24,-1.33,;1.84,.16,;1.07,3.21,;-.26,2.44,;-1.6,.13,;-1.6,-1.41,;-2.93,-2.18,;-2.93,-3.72,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3cc4CNCCc4cn3)nc12 |r,wU:4.7,wD:1.0,(3.46,-4.37,;3.06,-2.88,;4.15,-1.79,;3.75,-.3,;2.27,.09,;1.18,-.99,;1.58,-2.48,;1.87,1.58,;2.77,2.83,;4.3,2.99,;4.93,4.4,;4.03,5.64,;2.49,5.48,;1.87,4.07,;.4,3.6,;-.93,4.37,;-2.26,3.6,;-2.26,2.06,;-3.6,1.29,;-3.6,-.25,;-2.26,-1.02,;-2.26,-2.56,;-.93,-3.33,;-.93,-4.87,;-2.26,-5.64,;-3.6,-4.87,;-3.6,-3.33,;-4.93,-2.56,;-4.93,-1.02,;-.93,1.29,;.4,2.06,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3cc4CN(CCO)CCc4cn3)nc12 |r,wU:4.7,wD:1.0,(3.46,-3.21,;3.06,-1.73,;4.15,-.64,;3.75,.85,;2.27,1.25,;1.18,.16,;1.58,-1.33,;1.87,2.74,;2.77,3.98,;4.3,4.14,;4.93,5.55,;4.03,6.8,;2.49,6.64,;1.87,5.23,;.4,4.75,;-.93,5.52,;-2.26,4.75,;-2.26,3.21,;-3.6,2.44,;-3.6,.9,;-2.26,.13,;-2.26,-1.41,;-.93,-2.18,;-.93,-3.72,;.4,-4.49,;.4,-6.03,;1.74,-6.8,;-2.26,-4.49,;-3.6,-3.72,;-3.6,-2.18,;-4.93,-1.41,;-4.93,.13,;-.93,2.44,;.4,3.21,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CNCC(C)c4n3)nc12 |r,w:26.28,wU:4.7,wD:1.0,(4.8,-4.37,;4.4,-2.88,;5.49,-1.79,;5.09,-.3,;3.6,.09,;2.51,-.99,;2.91,-2.48,;3.2,1.58,;4.11,2.83,;5.64,2.99,;6.26,4.4,;5.36,5.64,;3.83,5.48,;3.2,4.07,;1.74,3.6,;.4,4.37,;-.93,3.6,;-.93,2.06,;-2.26,1.29,;-2.26,-.25,;-.93,-1.02,;-.93,-2.56,;-2.26,-3.33,;-2.26,-4.87,;-3.6,-5.64,;-4.93,-4.87,;-4.93,-3.33,;-6.26,-2.56,;-3.6,-2.56,;-3.6,-1.02,;.4,1.29,;1.74,2.06,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CC(C)c4n3)C(C)=O)nc12 |r,w:26.28,wU:4.7,wD:1.0,(4.8,-3.21,;4.4,-1.73,;5.49,-.64,;5.09,.85,;3.6,1.25,;2.51,.16,;2.91,-1.33,;3.2,2.74,;4.11,3.98,;5.64,4.14,;6.26,5.55,;5.36,6.8,;3.83,6.64,;3.2,5.23,;1.74,4.75,;.4,5.52,;-.93,4.75,;-.93,3.21,;-2.26,2.44,;-2.26,.9,;-.93,.13,;-.93,-1.41,;-2.26,-2.18,;-2.26,-3.72,;-3.6,-4.49,;-4.93,-3.72,;-4.93,-2.18,;-6.26,-1.41,;-3.6,-1.41,;-3.6,.13,;-3.6,-6.03,;-2.26,-6.8,;-4.93,-6.8,;.4,2.44,;1.74,3.21,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCO)CC(C)c4n3)nc12 |r,w:29.31,wU:4.7,wD:1.0,(4.8,-3.21,;4.4,-1.73,;5.49,-.64,;5.09,.85,;3.6,1.25,;2.51,.16,;2.91,-1.33,;3.2,2.74,;4.11,3.98,;5.64,4.14,;6.26,5.55,;5.36,6.8,;3.83,6.64,;3.2,5.23,;1.74,4.75,;.4,5.52,;-.93,4.75,;-.93,3.21,;-2.26,2.44,;-2.26,.9,;-.93,.13,;-.93,-1.41,;-2.26,-2.18,;-2.26,-3.72,;-3.6,-4.49,;-3.6,-6.03,;-2.26,-6.8,;-.93,-6.03,;-4.93,-3.72,;-4.93,-2.18,;-6.26,-1.41,;-3.6,-1.41,;-3.6,.13,;.4,2.44,;1.74,3.21,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CNCC(O)c4n3)nc12 |r,w:26.28,wU:4.7,wD:1.0,(4.8,-4.37,;4.4,-2.88,;5.49,-1.79,;5.09,-.3,;3.6,.09,;2.51,-.99,;2.91,-2.48,;3.2,1.58,;4.11,2.83,;5.64,2.99,;6.26,4.4,;5.36,5.64,;3.83,5.48,;3.2,4.07,;1.74,3.6,;.4,4.37,;-.93,3.6,;-.93,2.06,;-2.26,1.29,;-2.26,-.25,;-.93,-1.02,;-.93,-2.56,;-2.26,-3.33,;-2.26,-4.87,;-3.6,-5.64,;-4.93,-4.87,;-4.93,-3.33,;-6.26,-2.56,;-3.6,-2.56,;-3.6,-1.02,;.4,1.29,;1.74,2.06,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCO)CC(O)c4n3)nc12 |r,w:29.31,wU:4.7,wD:1.0,(4.8,-3.21,;4.4,-1.73,;5.49,-.64,;5.09,.85,;3.6,1.25,;2.51,.16,;2.91,-1.33,;3.2,2.74,;4.11,3.98,;5.64,4.14,;6.26,5.55,;5.36,6.8,;3.83,6.64,;3.2,5.23,;1.74,4.75,;.4,5.52,;-.93,4.75,;-.93,3.21,;-2.26,2.44,;-2.26,.9,;-.93,.13,;-.93,-1.41,;-2.26,-2.18,;-2.26,-3.72,;-3.6,-4.49,;-3.6,-6.03,;-2.26,-6.8,;-.93,-6.03,;-4.93,-3.72,;-4.93,-2.18,;-6.26,-1.41,;-3.6,-1.41,;-3.6,.13,;.4,2.44,;1.74,3.21,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(C[C@@H](C)c4n3)C(C)=O)nc12 |r,wU:4.7,26.28,wD:1.0,(4.8,5.44,;4.4,6.93,;5.49,8.02,;5.09,9.51,;3.6,9.91,;2.51,8.82,;2.91,7.33,;3.2,11.39,;4.11,12.64,;5.64,12.8,;6.26,14.21,;5.36,15.45,;3.83,15.29,;3.2,13.89,;1.74,13.41,;.4,14.18,;-.93,13.41,;-.93,11.87,;-2.26,11.1,;-2.26,9.56,;-.93,8.79,;-.93,7.25,;-2.26,6.48,;-2.26,4.94,;-3.6,4.17,;-4.93,4.94,;-4.93,6.48,;-6.26,7.25,;-3.6,7.25,;-3.6,8.79,;-3.6,2.63,;-2.26,1.86,;-4.93,1.86,;.4,11.1,;1.74,11.87,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(C[C@H](C)c4n3)C(C)=O)nc12 |r,wU:4.7,wD:1.0,26.28,(4.8,-11.87,;4.4,-10.38,;5.49,-9.29,;5.09,-7.81,;3.6,-7.41,;2.51,-8.5,;2.91,-9.98,;3.2,-5.92,;4.11,-4.67,;5.64,-4.51,;6.26,-3.11,;5.36,-1.86,;3.83,-2.02,;3.2,-3.43,;1.74,-3.9,;.4,-3.13,;-.93,-3.9,;-.93,-5.44,;-2.26,-6.21,;-2.26,-7.75,;-.93,-8.52,;-.93,-10.06,;-2.26,-10.83,;-2.26,-12.37,;-3.6,-13.14,;-4.93,-12.37,;-4.93,-10.83,;-6.26,-10.06,;-3.6,-10.06,;-3.6,-8.52,;-3.6,-14.68,;-2.26,-15.45,;-4.93,-15.45,;.4,-6.21,;1.74,-5.44,)|

COc1cc2c(cn1)n([C@H]1CC[C@H](C)CC1)c1nc(Nc3ccc4CNCCc4n3)ncc21 |r,wU:9.9,wD:12.13,(4.41,6.97,;5.32,5.72,;4.69,4.32,;3.16,4.15,;2.53,2.75,;3.44,1.5,;4.97,1.66,;5.6,3.07,;2.53,.26,;2.93,-1.23,;4.42,-1.63,;4.82,-3.12,;3.73,-4.21,;4.13,-5.69,;2.24,-3.81,;1.84,-2.32,;1.07,.73,;-.26,-.04,;-1.6,.73,;-2.93,-.04,;-2.93,-1.58,;-1.6,-2.35,;-1.6,-3.89,;-2.93,-4.66,;-2.93,-6.2,;-4.26,-6.97,;-5.6,-6.2,;-5.6,-4.66,;-4.26,-3.89,;-4.26,-2.35,;-1.6,2.27,;-.26,3.04,;1.07,2.27,)|

COc1cc2c(cn1)n([C@H]1CC[C@H](C)CC1)c1nc(Nc3ccc4CN(CCc4n3)C(=O)CO)ncc21 |r,wU:9.9,wD:12.13,(4.41,8.12,;5.32,6.88,;4.69,5.47,;3.16,5.31,;2.53,3.9,;3.44,2.66,;4.97,2.82,;5.6,4.22,;2.53,1.41,;2.93,-.08,;4.42,-.48,;4.82,-1.96,;3.73,-3.05,;4.13,-4.54,;2.24,-2.65,;1.84,-1.17,;1.07,1.89,;-.26,1.12,;-1.6,1.89,;-2.93,1.12,;-2.93,-.42,;-1.6,-1.19,;-1.6,-2.73,;-2.93,-3.5,;-2.93,-5.04,;-4.26,-5.81,;-5.6,-5.04,;-5.6,-3.5,;-4.26,-2.73,;-4.26,-1.19,;-4.26,-7.35,;-5.6,-8.12,;-2.93,-8.12,;-1.6,-7.35,;-1.6,3.43,;-.26,4.2,;1.07,3.43,)|

OCC(=O)N1CCc2nc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)ccc2C1

CS(=O)(=O)CCNc1nccn2c(cnc12)-c1ccnc(NC2CCOCC2)n1

CNc1nccn2c(cnc12)-c1ccnc(Nc2ccccc2)n1

CNc1nccn2c(cnc12)-c1ccnc(n1)N1CCOCC1

C1CC(CCN1)Nc1nccn2c(cnc12)-c1ccnc(n1)N1CCOCC1

CNc1nccc(n1)-c1cnc2c(NC3CCNCC3)nccn12

OCCNc1nccn2c(cnc12)-c1ccnc(n1)N1CCOCC1

CC(C)Nc1nccc(n1)-c1cnc2c(NCCO)nccn12

CNc1nccc(n1)-c1cnc2c(NCCO)nccn12

CNc1nccc(n1)-c1cnc2c(NC(C)C)nccn12

CNc1nccc(n1)-c1cnc2c(NC)nccn12

CN1CCN(CC1)c1nccn2c(cnc12)-c1ccnc(NC(CN)c2ccccc2)n1

CN1CCN(CC1)c1nccn2c(cnc12)-c1ccnc(NC(CCN)c2ccccc2)n1

CN1CCN(CC1)c1nccn2c(cnc12)-c1cccc(NC(CN)c2ccccc2)n1

CN1CCN(CC1)c1nccn2c(cnc12)-c1cccc(NCc2ccccc2)n1

CN1CCN(CC1)c1nccn2c(cnc12)-c1ccnc(NCc2ccccc2)n1

CN1CCN(CC1)c1nccn2c(cnc12)-c1ccnc(NCc2ccccc2Cl)n1

CN1CCN(CC1)c1nccn2c(cnc12)-c1cccc(NC(CCN)c2ccccc2)n1

CN1CCN(CC1)c1nccn2c(cnc12)-c1ccnc(NCc2ccsc2)n1

CN1CCN(CC1)c1nccn2c(cnc12)-c1ccnc(NC(CCN)c2cccc(Cl)c2)n1

CN1CCN(CC1)c1nccn2c(cnc12)-c1cccc(NCc2ccccc2Cl)n1

CN1CCN(CC1)c1nccn2c(cnc12)-c1ccnc(NCc2cccc(Cl)c2)n1

N[C@H]1CC[C@@H](CC1)Nc1nccn2c(cnc12)-c1ccnc(NCc2cccc(Cl)c2)n1 |r,wU:1.0,wD:4.7,(-9.7,-3.06,;-8.93,-1.73,;-9.7,-.39,;-8.93,.94,;-7.39,.94,;-6.62,-.39,;-7.39,-1.73,;-6.62,2.27,;-5.08,2.27,;-4.31,3.61,;-2.77,3.61,;-2,2.27,;-2.77,.94,;-2.3,-.53,;-3.54,-1.43,;-4.79,-.53,;-4.31,.94,;-.96,-1.3,;-.96,-2.84,;.37,-3.61,;1.7,-2.84,;1.7,-1.3,;3.04,-.53,;4.37,-1.3,;5.7,-.53,;5.7,1.01,;7.04,1.78,;8.37,1.01,;8.37,-.53,;9.7,-1.3,;7.04,-1.3,;.37,-.53,)|

N[C@H]1CC[C@@H](CC1)Nc1nccn2c(cnc12)-c1ccnc(NCc2ccccc2)n1 |r,wU:1.0,wD:4.7,(-9.04,-3.06,;-8.27,-1.73,;-9.04,-.39,;-8.27,.94,;-6.73,.94,;-5.96,-.39,;-6.73,-1.73,;-5.96,2.27,;-4.42,2.27,;-3.65,3.61,;-2.11,3.61,;-1.34,2.27,;-2.11,.94,;-1.63,-.53,;-2.88,-1.43,;-4.12,-.53,;-3.65,.94,;-.3,-1.3,;-.3,-2.84,;1.04,-3.61,;2.37,-2.84,;2.37,-1.3,;3.7,-.53,;5.04,-1.3,;6.37,-.53,;6.37,1.01,;7.7,1.78,;9.04,1.01,;9.04,-.53,;7.7,-1.3,;1.04,-.53,)|

CN1CCN(CC1)c1nccn2c(cnc12)-c1ccnc(NC(CCN)c2ccsc2)n1

C(CN1CCOCC1)Nc1nccn2c(cnc12)-c1ccnc(NCc2ccccc2)n1

N[C@H]1CC[C@@H](CC1)Nc1nccn2c(cnc12)-c1cccc(NCc2ccccc2)n1 |r,wU:1.0,wD:4.7,(-9.04,-3.06,;-8.27,-1.73,;-9.04,-.39,;-8.27,.94,;-6.73,.94,;-5.96,-.39,;-6.73,-1.73,;-5.96,2.27,;-4.42,2.27,;-3.65,3.61,;-2.11,3.61,;-1.34,2.27,;-2.11,.94,;-1.63,-.53,;-2.88,-1.43,;-4.12,-.53,;-3.65,.94,;-.3,-1.3,;-.3,-2.84,;1.04,-3.61,;2.37,-2.84,;2.37,-1.3,;3.7,-.53,;5.04,-1.3,;6.37,-.53,;7.7,-1.3,;9.04,-.53,;9.04,1.01,;7.7,1.78,;6.37,1.01,;1.04,-.53,)|

CN1CCN(CC1)c1nccn2c(cnc12)-c1ccnc(NC(CN)c2ccsc2)n1

NCCC(Nc1nccc(n1)-c1cnc2c(N[C@H]3CC[C@H](N)CC3)nccn12)c1ccccc1 |r,wU:20.21,wD:17.17,(6.37,-4.38,;6.37,-2.84,;5.04,-2.07,;5.04,-.53,;3.7,.24,;2.37,-.53,;2.37,-2.07,;1.04,-2.84,;-.3,-2.07,;-.3,-.53,;1.04,.24,;-1.63,.24,;-2.88,-.66,;-4.12,.24,;-3.65,1.71,;-4.42,3.04,;-5.96,3.04,;-6.73,1.71,;-8.27,1.71,;-9.04,.38,;-8.27,-.96,;-9.04,-2.29,;-6.73,-.96,;-5.96,.38,;-3.65,4.38,;-2.11,4.38,;-1.34,3.04,;-2.11,1.71,;6.37,.24,;7.7,-.53,;9.04,.24,;9.04,1.78,;7.7,2.55,;6.37,1.78,)|

NCC(Nc1nccc(n1)-c1cnc2c(N[C@H]3CC[C@H](N)CC3)nccn12)c1ccccc1 |r,wU:19.20,wD:16.16,(6.37,-3.61,;5.04,-2.84,;5.04,-1.3,;3.7,-.53,;2.37,-1.3,;2.37,-2.84,;1.04,-3.61,;-.3,-2.84,;-.3,-1.3,;1.04,-.53,;-1.63,-.53,;-2.88,-1.43,;-4.12,-.53,;-3.65,.94,;-4.42,2.27,;-5.96,2.27,;-6.73,.94,;-8.27,.94,;-9.04,-.39,;-8.27,-1.73,;-9.04,-3.06,;-6.73,-1.73,;-5.96,-.39,;-3.65,3.61,;-2.11,3.61,;-1.34,2.27,;-2.11,.94,;6.37,-.53,;7.7,-1.3,;9.04,-.53,;9.04,1.01,;7.7,1.78,;6.37,1.01,)|

CN1CCN(CC1)c1nccn2c(cnc12)-c1ccnc(NC(CN)c2cccc(Cl)c2)n1

NCC(Nc1cccc(n1)-c1cnc2c(N[C@H]3CC[C@H](N)CC3)nccn12)c1ccccc1 |r,wU:19.20,wD:16.16,(6.37,-3.61,;5.04,-2.84,;5.04,-1.3,;3.7,-.53,;2.37,-1.3,;2.37,-2.84,;1.04,-3.61,;-.3,-2.84,;-.3,-1.3,;1.04,-.53,;-1.63,-.53,;-2.88,-1.43,;-4.12,-.53,;-3.65,.94,;-4.42,2.27,;-5.96,2.27,;-6.73,.94,;-8.27,.94,;-9.04,-.39,;-8.27,-1.73,;-9.04,-3.06,;-6.73,-1.73,;-5.96,-.39,;-3.65,3.61,;-2.11,3.61,;-1.34,2.27,;-2.11,.94,;6.37,-.53,;7.7,-1.3,;9.04,-.53,;9.04,1.01,;7.7,1.78,;6.37,1.01,)|

NCCC(Nc1cccc(n1)-c1cnc2c(N[C@H]3CC[C@H](N)CC3)nccn12)c1ccccc1 |r,wU:20.21,wD:17.17,(7.7,-2.84,;6.37,-3.61,;5.04,-2.84,;5.04,-1.3,;3.7,-.53,;2.37,-1.3,;2.37,-2.84,;1.04,-3.61,;-.3,-2.84,;-.3,-1.3,;1.04,-.53,;-1.63,-.53,;-2.88,-1.43,;-4.12,-.53,;-3.65,.94,;-4.42,2.27,;-5.96,2.27,;-6.73,.94,;-8.27,.94,;-9.04,-.39,;-8.27,-1.73,;-9.04,-3.06,;-6.73,-1.73,;-5.96,-.39,;-3.65,3.61,;-2.11,3.61,;-1.34,2.27,;-2.11,.94,;6.37,-.53,;7.7,-1.3,;9.04,-.53,;9.04,1.01,;7.7,1.78,;6.37,1.01,)|

N[C@H]1CC[C@@H](CC1)Nc1nccn2c(cnc12)-c1cccc(NCc2cccc(Cl)c2)n1 |r,wU:1.0,wD:4.7,(-9.04,-3.06,;-8.27,-1.73,;-9.04,-.39,;-8.27,.94,;-6.73,.94,;-5.96,-.39,;-6.73,-1.73,;-5.96,2.27,;-4.42,2.27,;-3.65,3.61,;-2.11,3.61,;-1.34,2.27,;-2.11,.94,;-1.63,-.53,;-2.88,-1.43,;-4.12,-.53,;-3.65,.94,;-.3,-1.3,;-.3,-2.84,;1.04,-3.61,;2.37,-2.84,;2.37,-1.3,;3.7,-.53,;5.04,-1.3,;6.37,-.53,;7.7,-1.3,;9.04,-.53,;9.04,1.01,;7.7,1.78,;7.7,3.32,;6.37,1.01,;1.04,-.53,)|

N[C@H]1CC[C@@H](CC1)Nc1nccn2c(cnc12)-c1ccnc(NCc2ccccc2Cl)n1 |r,wU:1.0,wD:4.7,(-9.04,-3.06,;-8.27,-1.73,;-9.04,-.39,;-8.27,.94,;-6.73,.94,;-5.96,-.39,;-6.73,-1.73,;-5.96,2.27,;-4.42,2.27,;-3.65,3.61,;-2.11,3.61,;-1.34,2.27,;-2.11,.94,;-1.63,-.53,;-2.88,-1.43,;-4.12,-.53,;-3.65,.94,;-.3,-1.3,;-.3,-2.84,;1.04,-3.61,;2.37,-2.84,;2.37,-1.3,;3.7,-.53,;5.04,-1.3,;6.37,-.53,;6.37,1.01,;7.7,1.78,;9.04,1.01,;9.04,-.53,;7.7,-1.3,;7.7,-2.84,;1.04,-.53,)|

N[C@H]1CC[C@@H](CC1)Nc1nccn2c(cnc12)-c1cccc(NCc2ccsc2)n1 |r,wU:1.0,wD:4.7,(-8.89,-3.06,;-8.12,-1.73,;-8.89,-.39,;-8.12,.94,;-6.58,.94,;-5.81,-.39,;-6.58,-1.73,;-5.81,2.27,;-4.27,2.27,;-3.5,3.61,;-1.96,3.61,;-1.19,2.27,;-1.96,.94,;-1.48,-.53,;-2.73,-1.43,;-3.97,-.53,;-3.5,.94,;-.15,-1.3,;-.15,-2.84,;1.18,-3.61,;2.52,-2.84,;2.52,-1.3,;3.85,-.53,;5.19,-1.3,;6.52,-.53,;7.98,-1,;8.89,.24,;7.98,1.49,;6.52,1.01,;1.18,-.53,)|

N[C@H]1CC[C@@H](CC1)Nc1nccn2c(cnc12)-c1cccc(NCc2ccccc2Cl)n1 |r,wU:1.0,wD:4.7,(-9.04,-3.06,;-8.27,-1.73,;-9.04,-.39,;-8.27,.94,;-6.73,.94,;-5.96,-.39,;-6.73,-1.73,;-5.96,2.27,;-4.42,2.27,;-3.65,3.61,;-2.11,3.61,;-1.34,2.27,;-2.11,.94,;-1.63,-.53,;-2.88,-1.43,;-4.12,-.53,;-3.65,.94,;-.3,-1.3,;-.3,-2.84,;1.04,-3.61,;2.37,-2.84,;2.37,-1.3,;3.7,-.53,;5.04,-1.3,;6.37,-.53,;6.37,1.01,;7.7,1.78,;9.04,1.01,;9.04,-.53,;7.7,-1.3,;7.7,-2.84,;1.04,-.53,)|

N[C@H]1CC[C@@H](CC1)Nc1nccn2c(cnc12)-c1cccc(NCc2ccc(Cl)cc2)n1 |r,wU:1.0,wD:4.7,(-9.7,-3.06,;-8.93,-1.73,;-9.7,-.39,;-8.93,.94,;-7.39,.94,;-6.62,-.39,;-7.39,-1.73,;-6.62,2.27,;-5.08,2.27,;-4.31,3.61,;-2.77,3.61,;-2,2.27,;-2.77,.94,;-2.3,-.53,;-3.54,-1.43,;-4.79,-.53,;-4.31,.94,;-.96,-1.3,;-.96,-2.84,;.37,-3.61,;1.7,-2.84,;1.7,-1.3,;3.04,-.53,;4.37,-1.3,;5.7,-.53,;7.04,-1.3,;8.37,-.53,;8.37,1.01,;9.7,1.78,;7.04,1.78,;5.7,1.01,;.37,-.53,)|

N[C@H]1CC[C@@H](CC1)Nc1nccn2c(cnc12)-c1cccc(NCc2cccs2)n1 |r,wU:1.0,wD:4.7,(-8.89,-3.06,;-8.12,-1.73,;-8.89,-.39,;-8.12,.94,;-6.58,.94,;-5.81,-.39,;-6.58,-1.73,;-5.81,2.27,;-4.27,2.27,;-3.5,3.61,;-1.96,3.61,;-1.19,2.27,;-1.96,.94,;-1.48,-.53,;-2.73,-1.43,;-3.97,-.53,;-3.5,.94,;-.15,-1.3,;-.15,-2.84,;1.18,-3.61,;2.52,-2.84,;2.52,-1.3,;3.85,-.53,;5.19,-1.3,;6.52,-.53,;6.52,1.01,;7.98,1.49,;8.89,.24,;7.98,-1,;1.18,-.53,)|

Clc1ccccc1CNc1nccc(n1)-c1cnc2c(NCCN3CCOCC3)nccn12

Clc1cccc(CNc2nccc(n2)-c2cnc3c(NCCN4CCOCC4)nccn23)c1

NCCC(Nc1cccc(n1)-c1cnc2c(NCCN3CCOCC3)nccn12)c1cccc(Cl)c1

NCC(Nc1cccc(n1)-c1cnc2c(NCCN3CCOCC3)nccn12)c1cccc(Cl)c1

COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCOCC1 |w:14.14|

COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F

Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1

COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1

COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1

CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O

CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:26.28,(4.5,2.4,;4.5,.86,;3.17,.09,;1.79,.84,;.45,.07,;-.32,1.4,;.45,2.73,;-1.86,1.4,;.45,-1.47,;-.88,-2.24,;-2.22,-1.47,;-3.55,-2.24,;-4.88,-1.47,;-4.88,.07,;-3.55,.84,;-2.22,.07,;-6.22,.84,;-7.55,.07,;-8.88,.84,;-8.93,2.4,;-10.27,3.17,;-7.55,3.15,;-6.22,2.38,;1.79,-2.24,;3.12,-1.47,;4.45,-2.24,;5.79,-1.47,;7.12,-2.24,;8.45,-1.47,;8.45,.07,;9.79,.84,;7.12,.84,;5.79,.07,)|

CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:35.39,wD:32.35,(6.63,1.24,;6.63,-.3,;5.29,-1.07,;3.91,-.33,;2.58,-1.1,;1.81,.24,;2.58,1.57,;.27,.24,;2.58,-2.64,;1.24,-3.41,;-.09,-2.64,;-1.42,-3.41,;-2.76,-2.64,;-2.76,-1.1,;-1.42,-.33,;-.09,-1.1,;-4.09,-.33,;-5.42,-1.1,;-6.76,-.33,;-6.76,1.21,;-5.42,1.98,;-4.09,1.21,;-8.09,1.98,;-8.09,3.52,;-9.43,4.29,;-10.81,3.55,;-12.14,4.32,;-10.76,1.98,;-9.43,1.21,;3.91,-3.41,;5.24,-2.64,;6.58,-3.41,;7.91,-2.64,;9.25,-3.41,;10.58,-2.64,;10.58,-1.1,;11.91,-.33,;9.25,-.33,;7.91,-1.1,)|

CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:30.33,wD:27.29,(4.49,2.4,;4.49,.86,;5.99,.54,;3.15,.09,;1.77,.84,;.44,.07,;-.33,1.4,;.44,2.73,;-1.87,1.4,;.44,-1.47,;-.9,-2.24,;-2.23,-1.47,;-3.56,-2.24,;-4.9,-1.47,;-4.9,.07,;-3.56,.84,;-2.23,.07,;-6.23,.84,;-7.56,.07,;-8.9,.84,;-8.95,2.4,;-10.28,3.17,;-7.56,3.15,;-6.23,2.38,;1.77,-2.24,;3.11,-1.47,;4.44,-2.24,;5.77,-1.47,;7.11,-2.24,;8.44,-1.47,;8.44,.07,;9.77,.84,;7.11,.84,;5.77,.07,)|

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:39.43,wD:36.39,(6.59,1.24,;6.59,-.3,;5.26,-1.07,;3.88,-.33,;2.55,-1.1,;1.46,-.01,;1.85,1.48,;-.03,-.41,;2.55,-2.64,;1.21,-3.41,;-.12,-2.64,;-.12,-1.1,;-1.46,-.33,;-2.79,-1.1,;-4.12,-.33,;-5.46,-1.1,;-6.79,-.33,;-6.79,1.21,;-5.46,1.98,;-4.12,1.21,;-8.12,1.98,;-8.12,3.52,;-9.46,4.29,;-10.84,3.55,;-12.17,4.32,;-10.79,1.98,;-9.46,1.21,;-2.84,-2.67,;-1.46,-3.41,;-4.17,-3.44,;-5.5,-4.21,;-3.4,-4.77,;-4.94,-2.1,;3.88,-3.41,;5.21,-2.64,;6.55,-3.41,;7.88,-2.64,;9.21,-3.41,;10.55,-2.64,;10.55,-1.1,;11.88,-.33,;9.21,-.33,;7.88,-1.1,)|

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:33.36,wD:36.40,(6.63,1.24,;6.63,-.3,;5.29,-1.07,;3.91,-.33,;2.58,-1.1,;1.81,.24,;2.58,1.57,;.27,.24,;2.58,-2.64,;1.24,-3.41,;-.09,-2.64,;-.09,-1.1,;-1.42,-.33,;-2.76,-1.1,;-4.09,-.33,;-5.42,-1.1,;-6.76,-.33,;-6.76,1.21,;-5.42,1.98,;-4.09,1.21,;-8.09,1.98,;-8.09,3.52,;-9.43,4.29,;-10.81,3.55,;-12.14,4.32,;-10.76,1.98,;-9.43,1.21,;-2.81,-2.67,;-4.14,-3.44,;-1.42,-3.41,;3.91,-3.41,;5.24,-2.64,;6.58,-3.41,;7.91,-2.64,;7.91,-1.1,;9.25,-.33,;10.58,-1.1,;11.91,-.33,;10.58,-2.64,;9.25,-3.41,)|

CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:40.44,wD:37.40,(6.63,1.27,;6.63,-.27,;8.13,-.59,;5.29,-1.04,;3.91,-.3,;2.58,-1.07,;1.81,.27,;2.58,1.6,;.27,.27,;2.58,-2.61,;1.24,-3.38,;-.09,-2.61,;-.09,-1.07,;-1.42,-.3,;-2.76,-1.07,;-4.09,-.3,;-5.42,-1.07,;-6.76,-.3,;-6.76,1.24,;-5.42,2.01,;-4.09,1.24,;-8.09,2.01,;-8.09,3.55,;-9.43,4.32,;-10.81,3.58,;-12.14,4.35,;-10.76,2.01,;-9.43,1.24,;-2.81,-2.63,;-1.42,-3.38,;-4.14,-3.4,;-5.47,-4.17,;-3.37,-4.74,;-4.91,-2.07,;3.91,-3.38,;5.24,-2.61,;6.58,-3.38,;7.91,-2.61,;9.25,-3.38,;10.58,-2.61,;10.58,-1.07,;11.91,-.3,;9.25,-.3,;7.91,-1.07,)|

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1 |r,wU:36.40,wD:36.41,33.36,(3.3,-7.91,;3.3,-6.37,;1.97,-5.6,;.64,-6.37,;-.7,-5.6,;-2.03,-6.37,;-3.36,-5.6,;-2.03,-7.91,;-.7,-4.06,;-2.03,-3.29,;-2.03,-1.75,;-.7,-.98,;-.7,.56,;-2.03,1.33,;-2.03,2.87,;-.7,3.64,;-.7,5.18,;-2.03,5.95,;-3.36,5.18,;-3.36,3.64,;-2.03,7.49,;-3.36,8.26,;-3.36,9.8,;-2.03,10.57,;-2.03,12.11,;-.7,9.8,;-.7,8.26,;-3.36,.56,;-4.7,1.33,;-3.36,-.98,;.64,-3.29,;1.97,-4.06,;3.3,-3.29,;4.64,-4.06,;4.64,-5.6,;5.97,-6.37,;7.3,-5.6,;8.12,-6.91,;8.84,-5.65,;7.3,-4.06,;5.97,-3.29,)|

CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C(C)C)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:29.31,wD:32.35,(5.27,1.66,;5.27,.12,;3.94,-.65,;2.55,.09,;1.22,-.68,;.45,.65,;1.22,1.99,;-1.09,.65,;1.22,-2.22,;-.11,-2.99,;-1.45,-2.22,;-1.45,-.68,;-2.78,.09,;-4.11,-.68,;-5.45,.09,;-6.78,-.68,;-8.12,.09,;-8.16,1.66,;-6.78,2.4,;-5.45,1.63,;-9.5,2.43,;-10.83,1.66,;-9.5,3.97,;-4.16,-2.25,;-5.5,-3.02,;-2.78,-2.99,;2.55,-2.99,;3.89,-2.22,;5.22,-2.99,;6.56,-2.22,;6.56,-.68,;7.89,.09,;9.22,-.68,;10.56,.09,;9.22,-2.22,;7.89,-2.99,)|

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@](C)(O)CC1 |r,wU:36.41,wD:33.36,36.40,(3.43,-7.91,;3.43,-6.37,;2.09,-5.6,;.76,-6.37,;-.58,-5.6,;-1.91,-6.37,;-3.24,-5.6,;-1.91,-7.91,;-.58,-4.06,;-1.91,-3.29,;-1.91,-1.75,;-.58,-.98,;-.58,.56,;-1.91,1.33,;-1.91,2.87,;-.58,3.64,;-.58,5.18,;-1.91,5.95,;-3.24,5.18,;-3.24,3.64,;-1.91,7.49,;-3.24,8.26,;-3.24,9.8,;-1.91,10.57,;-1.91,12.11,;-.58,9.8,;-.58,8.26,;-3.24,.56,;-4.58,1.33,;-3.24,-.98,;.76,-3.29,;2.09,-4.06,;3.43,-3.29,;4.76,-4.06,;4.76,-5.6,;6.09,-6.37,;7.43,-5.6,;8.24,-6.91,;8.97,-5.65,;7.43,-4.06,;6.09,-3.29,)|

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCOCC1

CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(Cl)nc2C(N)=O)cc1C |r,wU:25.27,wD:22.23,(-12.05,4.35,;-10.72,3.58,;-9.34,4.32,;-8,3.55,;-8,2.01,;-9.34,1.24,;-10.67,2.01,;-6.67,1.24,;-6.67,-.3,;-5.33,-1.07,;-4,-.3,;-4,1.24,;-5.33,2.01,;-2.67,-1.07,;-1.33,-.3,;,-1.07,;,-2.61,;1.33,-3.38,;2.67,-2.61,;4,-3.38,;5.33,-2.61,;6.67,-3.38,;8,-2.61,;9.34,-3.38,;10.67,-2.61,;10.67,-1.07,;12,-.3,;9.34,-.3,;8,-1.07,;5.33,-1.07,;6.67,-.3,;4,-.3,;2.67,-1.07,;1.9,.27,;2.67,1.6,;.36,.27,;-1.33,-3.38,;-2.72,-2.63,;-4.05,-3.4,)|

CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1NC1CCOCC1

CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5

CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1NC1CCOCC1

CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1NC1CCOCC1

COc1cc(Nc2nc(NC3CCOCC3)c(nc2C(N)=O)C(C)C)ccc1N1CCN(C)CC1

CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1NC1CCOCC1

CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C3CCN(C)CC3)c(C)c2)nc1NC1CCOCC1

c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)C(N)CC(C)C)c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|

Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1

FC(F)(F)c1cnc2[nH]cc(Cc3ccc(NCc4ccc(nc4)C(F)(F)F)nc3)c2c1

COc1ncc(CNc2ccc(Cc3c[nH]c4ncc(cc34)C(F)(F)F)c(F)n2)cc1F

Clc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3)c2c1

Fc1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1

Fc1cc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc(c1)C(F)(F)F

Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(nc4)C(F)(F)F)nc3)c2c1

COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cn1

COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(OC)nc4)nc3F)c2c1

Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(nc4)C(F)(F)F)nc3F)c2c1

COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)cc4)nc3F)c2c1

COc1cnc2[nH]cc(Cc3ccc(NCc4ccccc4Cl)nc3F)c2c1

COc1ccnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)cc4)nc3F)c12

COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1

Fc1nc(NCc2ccc(Cl)cn2)ccc1Cc1c[nH]c2ncccc12

COc1cnc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cc1F

COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cn1

COc1ncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)cc1F

CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1c(F)ccc2[nH]ccc12

Cc1ccc2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1

CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(F)c2[nH]ccc12

CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(Cl)c2[nH]ccc12

COc1ccc(-c2nc(C(N)=O)c(o2)-c2ccc(cc2)N2CCNC(C)(C)C2)c2cc[nH]c12

Cc1cc(C)c2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1

Cc1cc(F)c2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1

Cc1c[nH]c2cccc(-c3nc(C(N)=O)c(o3)-c3ccc(cc3)N3CCNC(C)(C)C3)c12

CCc1ccc(-c2nc(C(N)=O)c(o2)-c2ccc(cc2)N2CCNC(C)(C)C2)c2cc[nH]c12

CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1cccc2[nH]ccc12

CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(c2[nH]ccc12)C(F)(F)F

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCC(=O)NO

COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1

COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1

C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O

COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1

COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1

COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

CCC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O

CCC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O

COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)\C=C\CN(C)C)cc4)c3n2)cc1

COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)\C=C\CN(C)C)c4)c3n2)cc1

COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(OC(=O)C=C)cc4)c3n2)cc1

CN(C)C\C=C\C(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2nc(ncc32)N2CCOCC2)no1

CN(C)CCOc1ccc2c(n1)sc1nc(cn21)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2nc(OCCN4CCNCC4)ccc32)no1

CN1CCN(CCOc2ccc3c(c2)sc2nc(cn32)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2nc(OCCCN4CCOCC4)ccc32)no1

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2nc(OCCN4C[C@@H]5C[C@H]4CN5)ccc32)no1 |r|

CN1C[C@@H]2C[C@H]1CN2CCOc1ccc2c(n1)sc1nc(cn21)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 |r|

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2nc(OCC4CCNCC4)ccc32)no1

CN1CCC(COc2ccc3c(n2)sc2nc(cn32)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1

CCN(CC)CCOc1ccc2c(n1)sc1nc(cn21)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2nc(OCCN4C[C@@H]5C[C@H]4CO5)ccc32)no1 |r|

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2nc(OCC4(N)CC4)ccc32)no1

CNC1(COc2ccc3c(n2)sc2nc(cn32)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1

CCNC1(COc2ccc3c(n2)sc2nc(cn32)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2nc(NCCN4CCOCC4)ccc32)no1

CN(CCN1CCOCC1)c1ccc2c(n1)sc1nc(cn21)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

CN(C)CCNc1ccc2c(n1)sc1nc(cn21)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

CCN(CC)CCNc1ccc2c(n1)sc1nc(cn21)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2nc(NCCN4C[C@@H]5C[C@H]4CO5)ccc32)no1 |r|

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2nc(ccc32)N2CCC(CC2)N2CCOCC2)no1

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

CN(C)C\C=C\C(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O

C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O

C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O

Clc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1

Clc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O

CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1

CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2ncc1=O

C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2ncc1=O

CCN(CC)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

CC(=O)Nc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

COc1ccc(cc1)-n1c2nc(Nc3cccc(NC(=O)C=C)c3)ncc2ncc1=O

COc1ccc(cc1)-n1c2nc(Nc3cccc(N)c3)ncc2ncc1=O

COc1ccc(cc1)-n1c2nc(Nc3ccc(NC(=O)C=C)cc3)ncc2ncc1=O

COc1ccc(cc1)-n1c2nc(Nc3ccc(N)cc3)ncc2ncc1=O

COc1cc(ccc1Nc1ncc2ncc(=O)n(-c3ccc(NC(=O)C=C)cc3)c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2ncc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1

CSc1nc(N)cc(Oc2ccc(cc2)-c2nnc(Nc3cccc(c3)C(F)(F)F)[nH]2)n1

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ncccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cnccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccncc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cccnc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CC[NH3+])c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCC[NH3+])c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCO)c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCN(C)C)c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCN(C)C)c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCN2CCCCC2)c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCN2CCOCC2)c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCC[NH+]2CC[NH+](C)CC2)c2ccccc12 |t:13,(1.93,-1.66,;3.42,-1.27,;3.82,.22,;2.73,1.31,;3.13,2.8,;4.61,3.2,;5.7,2.11,;7.19,2.51,;7.59,3.99,;5.3,.62,;6.39,-.47,;7.88,-.07,;2.36,4.13,;.82,4.13,;.34,5.6,;-.99,6.37,;1.59,6.5,;2.83,5.6,;4.17,6.37,;.05,2.8,;.52,1.33,;-.72,.43,;-.72,-1.11,;-2.06,-1.88,;-2.06,-3.42,;-3.39,-4.19,;-4.73,-3.42,;-6.06,-4.19,;-6.06,-5.73,;-7.88,-6.5,;-4.73,-6.5,;-3.39,-5.73,;-1.97,1.33,;-3.48,1.01,;-4.51,2.16,;-4.03,3.62,;-2.52,3.94,;-1.49,2.8,)|

Cn1cc(Nc2ncc(Cl)c(NC3COC4C(COC34)OCCO)n2)cn1

Cn1cc(Nc2ncc(Cl)c(NC3COC4C(COC34)NS(C)(=O)=O)n2)cn1

Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cccc2c(N)nccc12

CC(=O)N1CCC2(CCC(CC2)Nc2nc(Nc3cnn(C)c3)ncc2Cl)CC1

Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1

c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br

Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cnc2[nH]1

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCc3ccccc3)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(Oc3ccccc3)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(Oc3cccc(F)c3)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(Oc3ccc(OCc4ccccc4)cc3)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCc3cccc(Oc4ccccc4)c3)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OC3CCN(Cc4ccccc4)CC3)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCC#Cc3ccccc3)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(Oc3cccc(OCc4ccccc4)c3)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOc3ccccc3)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

C[N+]1([O-])CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

CN(C)C1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

CN(C)CCN(C)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

CN(C)CCCN(C)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

O=C(Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12)c1ccc(cc1)N1CCNCC1

CN(C)Cc1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

CN1CCC(CC1)Oc1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

CN(C1CCN(C)CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

O=C(Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12)c1ccc(cc1)N1CCOCC1

O=C(Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12)c1ccc(NCCN2CCOCC2)cc1

O=C(Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12)c1ccc(NC2CCOCC2)cc1

CN1CCC(CNc2ccc(cc2)C(=O)Nc2n[nH]c3cc(OCCOCc4ccccc4)ccc23)CC1

O=C(Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12)c1ccc(cc1)N1CC(C1)N1CCCC1

CN1CCN(CC1)c1cccc(c1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3F)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccc(F)cc3)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccc(cc3)C(F)(F)F)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3cccc(c3)C(F)(F)F)ccc12

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccncc3)ccc12

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3cc(OCCOCc4ccccc4)ccc23)c(F)c1

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OC\C=C\c3ccccc3)ccc12

COc1ccc(COCCOc2ccc3c(NC(=O)c4ccc(cc4)N4CCN(C)CC4)n[nH]c3c2)cc1

CN(C1CC[N+](C)([O-])CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12 |(3.97,5.33,;5.06,4.24,;6.55,4.64,;7.64,3.55,;9.13,3.95,;9.53,5.43,;11.01,5.03,;9.92,6.92,;8.44,6.52,;6.95,6.12,;4.66,2.75,;5.75,1.66,;5.36,.17,;3.87,-.22,;2.78,.86,;3.18,2.35,;3.47,-1.71,;1.98,-2.11,;4.56,-2.8,;3.79,-4.13,;4.69,-5.38,;3.79,-6.63,;2.32,-6.15,;.99,-6.92,;-.34,-6.15,;-1.68,-6.92,;-3.01,-6.15,;-4.34,-6.92,;-5.68,-6.15,;-7.01,-6.92,;-8.35,-6.15,;-8.35,-4.61,;-9.68,-3.84,;-11.01,-4.61,;-11.01,-6.15,;-9.68,-6.92,;-.34,-4.61,;.99,-3.84,;2.32,-4.61,)|

C[N+]1([O-])CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccc(cc3)C(F)(F)F)ccc12

CN(C)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

CN1CCC(CC1)Nc1ccccc1C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

CN1CCN(CC1)Oc1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12

CN1CCC(CC1)c1c(C)ccc(C(=O)Nc2n[nH]c3cc(OCCOCc4ccccc4)ccc23)c1N

O=C(Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12)c1cccc(c1)N1CCOCC1

CN(C)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(OCc3ccccc3)ccc12

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,)|

CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1

CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)cc1

COc1ccc2cc(cnc2c1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)cc1

FC(F)(F)C1(CC1)c1cc(NC(=O)Cc2ccc(cc2)-c2cnc3[nH]ccc3n2)no1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2cc(cnc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)cc1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1

Nc1nc2ccccc2nc1-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)cc1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)cc1

Cn1ccc2ncc(nc12)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)cc1

FC(F)(F)C1(CC1)c1cc(NC(=O)Cc2ccc(cc2)-c2cnc3ccsc3c2)no1

FC(F)(F)C1(CC1)c1cc(NC(=O)Cc2ccc(cc2)-c2cnc3cccnc3c2)no1

FC(F)(F)C1(CC1)c1cc(NC(=O)Cc2ccc(cc2)-c2cnc3ccncc3c2)no1

COc1cc(OC)c2cc(cnc2c1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)cc1

FC(F)(F)C1(CC1)c1cc(NC(=O)Cc2ccc(cc2)-c2cnc3[nH]cnc3n2)no1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

CC(O)c1n[nH]c2ncc(cc12)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)c(F)c1 |w:1.1|

COc1n[nH]c2ncc(cc12)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2cnc3[nH]c(cc3c2)C(=O)NCCO)no1

CNC(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1

CN(C)CCNC(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1

CN(C)CCCN(C)C(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1

CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2cnc3[nH]c(cc3c2)C(=O)NCCS(C)(=O)=O)no1

CN1CCC(CC1)NC(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1

OCc1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

CC(=O)OCCOc1cc2ncc(nc2cc1OCCOC(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

OCCOc1cc2ncc(nc2cc1OCCO)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

Fc1cc(ccc1CC(=O)Nc1cc(on1)C1(CC1)C(F)(F)F)-c1cnc2cc3OCCOc3cc2n1

COCCOc1cc2nc(cnc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OCCO)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCN(C)CC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCC(F)(F)C1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1Br)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1CC(O)CO)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |w:13.15|

COc1cc2nc(cnc2cc1NCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

CCOc1cc2ncc(cc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(cc2cc1OCCN1CC[C@H](O)[C@@H](F)C1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1 |r|

COc1cc2cc(cnc2cc1OCCO)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OC1CNC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OC1CN(C)C1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2cc(cnc2cc1OCCO)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)cc1

COc1cc2nc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(nn2C)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(no2)C2(C)CC2)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCOCC1(C)C)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2cnc3[nH]cc(c3c2)C2(O)COC2)no1

OCC1Cn2nc3ncc(cc3c2O1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |w:2.1|

CN1CCN(CC1)C(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1

CN(C)CCNC(=O)c1n[nH]c2ncc(cc12)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1

CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2cnc3[nH]nc(-n4nccn4)c3c2)no1

FC(F)COc1n[nH]c2ncc(cc12)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2cnc3[nH]nc(-n4ccnn4)c3c2)no1

FCCOc1n[nH]c2ncc(cc12)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

CCN1CCN(CCOc2cc3ncc(nc3cc2OC)-c2ccc(CC(=O)Nc3cc(on3)C3(CC3)C(F)(F)F)c(F)c2)CC1

OC(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

CS(=O)(=O)CCNC(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

CN(C)CCNC(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

Cn1cc(cn1)-c1n[nH]c2ncc(cc12)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1

CN(C)C1CCN(C1)C(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |w:3.2|

OC1CN(C1)C(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

Fc1cc(ccc1CC(=O)Nc1cc(on1)C1(CC1)C(F)(F)F)-c1cnc2[nH]c(cc2c1)C(=O)NC1CNC1

CN1CC(C1)NC(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

CC(C)(c1cc(NC(=O)Cc2ccc(cc2F)-c2cnc3[nH]nc(OCCOC(F)(F)F)c3c2)no1)C(F)(F)F

COc1cc2ncc(cc2c(OC)c1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(cc2c(OC)c1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1

CN(C)NC(=O)c1cc2cc(cnc2[nH]1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

CCOc1cc2ncc(nc2cc1OCC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

Fc1cc(ccc1CC(=O)Nc1cc(on1)C1(CC1)C(F)(F)F)-c1cnc2cc3OCOc3cc2n1

COCCOc1cc2ncc(nc2cc1OCCOC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1

OC[C@@H]1COc2cc3nc(cnc3cc2O1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |r|

OC[C@@H]1COc2cc3ncc(nc3cc2O1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |r|

COc1cc2nc(N)c(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(OC)c(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COCCOc1cc2ncc(nc2cc1OCCOC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COCCOc1cc2ncc(cc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2cc(cnc2cc1OCCOC(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2cc(cnc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2cc(cnc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCOC(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCO)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

CCOC(=O)c1nc2cc(OC)c(OC)cc2nc1-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(C(O)=O)c(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCCC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(C(N)=O)c(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCOC(=O)N(C)C)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(CO)c(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(c(Cl)c2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(nn2C)C(C)(C)C)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(nn2-c2ccccc2)C(C)(C)C)c(F)c1

COc1cc2ncc(-c3ccc(CC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c(F)c3)c(N=[N]#N)c2cc1OC

CCN1CC(C1)Oc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(c(N)c2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OC1COC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(-c3ccc(CC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c(F)c3)c(OC)c2cc1OC

COc1cc2nc(Cl)c(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OC1COC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OC1CNC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

CCN1CC(C1)Oc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OC1CN(C)C1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

CC(C)(c1cc(NC(=O)Cc2ccc(cc2F)-c2cnc3c(N)cccc3c2)no1)C(F)(F)F

COc1cc2nc(O)c(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(n[nH]2)C(C)(C)C)c(F)c1

CN(C)C(=O)COc1cc2ncc(nc2cc1OCC(=O)N(C)C)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1ccc2ncc(nc2n1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OCc1ccccc1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OCCN(C)C)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COCCOc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COCCOc1cc2nc(cnc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COCCOc1cc2nc(cnc2cc1OC)-c1ccc(CC(=O)Nc2cc(nn2C)C(C)(C)C)c(F)c1

COCCOc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(nn2C)C(C)(C)C)c(F)c1

COc1cc2nc(cnc2cc1OCc1ccccc1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1O)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCO)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN=[N+]=[N-])-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCNC(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(C)c(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OCCO)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(nn2C)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(nn2C(C)(C)C)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CC(C)OC(C)C1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |w:17.19,20.22|

CNCCOc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN(C)C(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COCCOc1cc2cc(cnc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(cc2cc1OCCO)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(cc2cc1OCCO)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(nn2C)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(n[nH]2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCC#N)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1O)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCn1cncn1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCC(=O)N(C)C)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COCCOc1cc2cc(cnc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(cc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(cc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OCCN1CC[C@H](O)C1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1 |r|

COc1cc2ncc(cc2cc1OCCN)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(cc2cc1OCCNC(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc3n(CCC3(C)C)n2)c(F)c1

COc1cc2nc(cnc2cc1OCCCO)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

CNCCOc1cc2nc(cnc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2cc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OCCN(C)C(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2cc(cnc2cc1OCCN1CC[C@@H](O)C1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1 |r|

COc1cc2cc(cnc2cc1OCCN(C)CCO)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2cc(cnc2cc1OCCNCCO)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC[C@@H](C)O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |r|

COc1cc2ncc(nc2cc1OCCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(cc2cc1OCCN)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(cc2cc1OCCNC(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(cc2cc1OCCN1CCC(O)CC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(cc2cc1OCCN1CCC(F)(F)CC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OC[C@@H](C)O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |r|

COc1cc2nc(cnc2cc1OCCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCn1cncn1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCn1cnnc1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OCCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OCCCNC(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C)cc1

COc1cc2nc(cnc2cc1OCCN1CCS(=O)(=O)CC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)cc1F

COc1cc2ncc(nc2cc1OC)-c1cc(F)c(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)cc1F

COc1cc2ncc(nc2cc1OC)-c1cc(F)c(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)cc1F

CC(=O)NCCOc1cc2ncc(nc2cc1OCCNC(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

CN(CCOc1cc2ncc(nc2cc1OCCN(C)C(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1)C(C)=O

COc1cc2nc(cnc2cc1OCCCS(C)(=O)=O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CC2CC(C1)O2)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CC2CC1CO2)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |w:19.20,17.19|

COc1cc2ncc(nc2cc1OC)-c1cc(F)c(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1cc(F)c(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OCCCN)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(nn2C)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OC)-c1cnc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)cc1

COc1cc2cc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1C(C)(O)CO)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |w:12.14|

COc1cc2ncc(nc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCOCC1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2ncc(nc2cc1OCC(O)CO)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |w:14.16|

COc1cc2nc(cnc2cc1OCCCNC(C)=O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCC(O)CO)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |w:14.16|

COc1cc2ncc(nc2cc1OCC(C)(C)O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCCOCC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCNCC1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCO[C@H](C)C1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |r|

COc1cc2nc(cnc2cc1OCCN1CCOC[C@@H]1C)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |r|

COc1cc2nc(cnc2cc1OCCN1CC2CCC(C1)O2)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1C2CCC1COC2)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCC(C)(C)O)-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1

COc1cc2nc(cnc2cc1OCCN1CCOC[C@H]1C)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |r|

COc1cc2nc(cnc2cc1OCCN1CCO[C@@H](C)C1)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1 |r|

COc1cc2nc(cnc2cc1OCC(C)(C)O)-c1ccc(CC(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)c(F)c1

Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 |r|

CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(C)CC3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3cccc(CN4CCCCC4)c3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(CO)cc3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3cccc(c3)N3CCNCC3)c2c1 |r|

O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1 |r|

O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCCC4)cc3)n[nH]c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(OCCN4CCOCC4)cc3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc4CCNCc4c3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CC3)C(C)C)c2c1 |r|

CCN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CC[C@@H](F)C6)cc5)n[nH]c4c3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CC[C@@H](C3)N(C)C)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N(C)CCN(C)C)c2c1 |r|

COCCN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(CN(C)C)cc4)n[nH]c3c2)c2ccccc12 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cccc(CN6CCOCC6)c5)n[nH]c4c3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cccc(CN(C)C)c5)n[nH]c4c3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3cccc(CN4CCOCC4)c3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)C#Cc3ccc(CN4CCOCC4)cc3)c2c1 |r|

CCc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3cccc(CN4CCOCC4)c3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1 |r|

O=C1Nc2ccccc2[C@]11CC1c1ccc2c(n[nH]c2c1)-c1ccc(CN2CCOCC2)cc1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)N5CCN(C)CC5)n[nH]c4c3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CC3)C3CCCC3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r|

COc1ccc(cc1OC)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCCCO1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCCCC1)[C@H]1CNC(=O)C1 |r|

COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCNCC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCC(F)(F)CC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cc2nn(C)cc2c(O[C@H](C)[C@@H]2CNC(=O)C2)n1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1)[C@H]1CNC(=O)C1 |r,wU:32.36,1.0,21.27,wD:18.20,(2.24,5.88,;.9,6.65,;-.43,5.88,;-.43,4.34,;.9,3.57,;.9,2.03,;-.43,1.26,;-1.76,2.03,;-3.23,1.55,;-4.13,2.8,;-5.67,2.8,;-3.23,4.04,;-1.76,3.57,;2.24,1.26,;3.78,1.26,;4.25,-.21,;3.01,-1.11,;1.76,-.21,;3.01,-2.65,;1.67,-3.42,;1.67,-4.96,;3.01,-5.73,;4.34,-4.96,;4.34,-3.42,;3.01,-7.27,;1.67,-8.04,;1.67,-9.58,;3.01,-10.35,;3.01,-11.89,;4.34,-9.58,;5.67,-10.35,;4.34,-8.04,;.9,8.19,;-.34,9.09,;.13,10.56,;1.67,10.56,;2.44,11.89,;2.15,9.09,)|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cc2nn(C)cc2c(=O)[nH]1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccn(C)n1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(CCC(F)(F)F)c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1n[nH]c2ccc(cc12)C#N)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(Cn2ccnc2C)cc1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)N1CCOCC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)N1CCN(C)CC1)[C@H]1CNC(=O)C1 |r|

CC(C)Oc1ccc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cn(C)nc2c1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc2n(C)ncc2c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cscn1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(N2CCN(C)CC2)c(c1)C(F)(F)F)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)N1CCCS1(=O)=O)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc2n(C)nc(N)c2c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(N2CCOCC2)c(c1)C(F)(F)F)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C(F)F)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(F)cn1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)C1CCN(C)CC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnc2ccc(cn12)C#N)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCNCC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCOCC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cc2cccc(Cl)c2[nH]1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCN(C)CC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(nc1)C1CC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(nc1)C(F)F)[C@H]1CNC(=O)C1 |r|

COc1cc(cc(OC)c1OC)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

COc1ccc2[nH]cc(-c3cc4nn(C)cc4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)c2c1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(C)s1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc2CCN(C)CCc2c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc2cc(C(=O)N(C)C)n(C)c2c1)[C@H]1CNC(=O)C1 |r|

COCCn1cc(cn1)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

CCn1cc(cn1)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

COc1ccc(cn1)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(cc1)C(F)(F)F)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(nc1)C(F)(F)F)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc2n(C)ncc2c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(C)c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCOCC1)[C@H]1CNC(=O)C1 |r|

CC(C)n1cc(cn1)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(nc1)N1CCOCC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(cc1)N1CCN(C)CC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cn(C)nc1C)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)[C@H]1CCOC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(N2CCCS2(=O)=O)c(C)c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc2cnn(C)c2c1)[C@H]1CNC(=O)C1 |r|

COc1cc(ccc1OC1CCOCC1)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)[C@@H]1CCOC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc2CCN(C)Cc2c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cc2cccc(Cl)c2[nH]1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cn(nc1C)C1CCOCC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(cc1)C1CCN(C)CC1)[C@H]1CNC(=O)C1 |r|

COc1cc(ccc1OC(C)C)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCN(C)CC1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cn(cn1)C(F)F)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r|

CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r|

CC(C)n1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r|

C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2nc(C)sc2c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)cnc2c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)c(C)nc2c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2nc(C)nc(C)c2c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2[nH]c(C)nc2c1)[C@H]1CNC(=O)C1 |r|

COc1cc(ccc1OC(F)(F)F)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

COc1cc(ccc1C(F)(F)F)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r|

C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2CCNCc2c1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2ncccc12)-c1ccccn1)[C@H]1CNC(=O)C1 |r|

CN1CCC(CC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

CS(=O)(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)N1CCNCC1 |r|

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CC#N |r|

CN(C)CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

CC(O)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

NC(=O)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

CC(C)C[C@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(F)(F)F |r|

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)S(=O)(=O)C(F)(F)F |r|

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)S(N)(=O)=O |r|

CN(C)CC(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |(5.63,-5.86,;4.54,-6.95,;4.93,-8.44,;3.05,-6.55,;1.96,-7.64,;2.36,-9.13,;.47,-7.24,;.07,-5.75,;-1.41,-5.36,;-1.81,-3.87,;-.72,-2.78,;.76,-3.18,;1.16,-4.66,;-1.49,-1.45,;-.59,-.2,;-1.49,1.05,;-.72,2.38,;.76,2.78,;1.16,4.27,;.07,5.36,;.47,6.84,;1.96,7.24,;3.05,6.15,;4.54,6.55,;4.93,8.04,;3.85,9.13,;2.36,8.73,;-1.41,4.96,;-1.81,3.47,;-2.96,.57,;-4.29,1.34,;-4.29,2.88,;-5.63,.57,;-5.63,-.97,;-4.29,-1.74,;-2.96,-.97,)|

CC(C)C[C@H](N)C(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:4.4,(5.68,-8.93,;4.19,-9.33,;4.59,-10.81,;2.7,-8.93,;2.31,-7.44,;3.39,-6.35,;.82,-7.04,;-.27,-8.13,;.42,-5.55,;.02,-4.07,;-1.47,-3.67,;-1.87,-2.18,;-.78,-1.09,;.71,-1.49,;1.11,-2.98,;-1.55,.24,;-.64,1.49,;-1.55,2.73,;-.78,4.07,;.71,4.47,;1.11,5.95,;.02,7.04,;.42,8.53,;1.91,8.93,;3,7.84,;4.48,8.24,;4.88,9.73,;3.79,10.81,;2.31,10.42,;-1.47,6.64,;-1.87,5.16,;-3.01,2.26,;-4.35,3.03,;-4.35,4.57,;-5.68,2.26,;-5.68,.72,;-4.35,-.05,;-3.01,.72,)|

CS(=O)(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:8.11,(3.79,-8.04,;2.31,-7.64,;1.91,-9.13,;2.7,-6.15,;.82,-7.24,;.42,-5.75,;1.51,-4.66,;1.11,-3.18,;-.38,-2.78,;-1.47,-3.87,;-1.07,-5.36,;-1.15,-1.45,;-.24,-.2,;-1.15,1.05,;-.38,2.38,;1.11,2.78,;1.51,4.27,;.42,5.36,;.82,6.84,;2.31,7.24,;3.39,6.15,;4.88,6.55,;5.28,8.04,;4.19,9.13,;2.7,8.73,;-1.07,4.96,;-1.47,3.47,;-2.61,.57,;-3.95,1.34,;-3.95,2.88,;-5.28,.57,;-5.28,-.97,;-3.95,-1.74,;-2.61,-.97,)|

N[C@H](CO)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

CC(C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

NCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4O)cc3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)c(O)c4)cc3)c2cc1OC

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)cc[n+]([O-])c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(O)=O)cc3)c2cc1OC

CCOC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl

CCNC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl

COc1ccc(\C=C\c2nc(NCCCN(C)C)c3cc(Cl)ccc3n2)cc1

COc1ccc(\C=C\c2nc(NCCCN3CCOCC3)c3cc(Cl)ccc3n2)cc1

CCN(CC)CCCNc1nc(\C=C\c2ccc(OC)cc2)nc2ccc(Cl)cc12

CCN(CC)CCCNc1nc(\C=C\c2ccc(OC)cc2)nc2ccc(F)cc12

COc1ccc(\C=C\c2nc(NCCCN(C)C)c3cc(F)ccc3n2)cc1

COc1ccc(\C=C\c2nc(NCCCN(C)C)c3cc(Br)ccc3n2)cc1

CCN(CC)CCCNc1nc(\C=C\c2ccc(OC)cc2)nc2ccc(Br)cc12

COc1ccc(\C=C\c2nc(NCCCN(C)C)c3ccccc3n2)cc1

CN(C)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccc(Br)cc12

CN(C)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccccc12

CCN(CC)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccccc12

CCN(CC)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccc(Br)cc12

CN(C)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccc(Cl)cc12

CCN(CC)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccc(Cl)cc12

CN(C)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccc(F)cc12

CCN(CC)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2ccc(F)cc12

CCN(CC)CCCNc1nc(\C=C\c2ccc(OC)cc2)nc2cc3ccccc3cc12

CN(C)CCCNc1nc(\C=C\c2ccc(F)cc2)nc2cc3ccccc3cc12

CN(C)CCCNc1nc(\C=C\c2ccc(F)c(F)c2)nc2ccc(Br)cc12

CN(C)CCNc1nc(\C=C\c2ccc(F)c(F)c2)nc2ccc(Br)cc12

CN(C)CCNc1nc(\C=C\c2ccc(F)cc2)nc2ccccc12

CCN(CC)CCNc1nc(\C=C\c2ccc(F)cc2)nc2ccccc12

COc1ccc(\C=C\c2nc(NCCCN)c3cc(Br)ccc3n2)cc1

COc1ccc(\C=C\c2nc(NCCCNC(C)=O)c3cc(Br)ccc3n2)cc1

CCN(CC)CCNc1nc(\C=C\c2ccc(SC)cc2)nc2ccccc12

CSc1ccc(\C=C\c2nc(NCCCN(C)C)c3ccccc3n2)cc1

CN(C)CCCNc1nc(\C=C\c2ccc(F)c(F)c2)nc2ccc(Cl)cc12

CN(C)CCNc1nc(\C=C\c2ccc(F)c(F)c2)nc2ccc(Cl)cc12

CN(C)CCCNc1nc(\C=C\c2cccs2)nc2cc3ccccc3cc12

COc1ccc(\C=C\c2nc(NCCCN)c3ccccc3n2)cc1

CCN(CC)CCCNc1nc(\C=C\c2cccs2)nc2cc3ccccc3cc12

CN(C)CCNc1nc(\C=C\c2cccs2)nc2cc3ccccc3cc12

CSc1ccc(\C=C\c2nc(NCCN(C)C)c3ccccc3n2)cc1

CN(C)CCNc1nc(\C=C\c2ccc(F)c(F)c2)nc2ccccc12

CCN(CC)CCNc1nc(\C=C\c2ccc(F)c(F)c2)nc2ccccc12

CC(C)c1ccc(\C=C\c2nc(NCCCN(C)C)c3ccccc3n2)cc1

CCN(CC)CCCNc1nc(\C=C\c2ccc(cc2)C(C)C)nc2ccccc12

CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3ccccc3n2)cc1

CN(C)CCCNc1nc(\C=C\c2cccs2)nc2ccc(Cl)cc12

CCN(CC)CCCNc1nc(\C=C\c2cccs2)nc2ccc(Cl)cc12

CN(C)CCNc1nc(\C=C\c2cccs2)nc2ccc(Cl)cc12

CCN(CC)CCNc1nc(\C=C\c2cccs2)nc2ccc(Cl)cc12

CN(C)CCCNc1nc(\C=C\c2cccs2)nc2ccccc12

CN(C)CCCNc1nc(\C=C\c2cccs2)nc2ccc(Br)cc12

CN(C)CCNc1nc(\C=C\c2cccs2)nc2ccccc12

CSc1ccc(\C=C\c2nc(NCCCN(C)C)c3cc(Cl)ccc3n2)cc1

CCN(CC)CCCNc1nc(\C=C\c2ccc(SC)cc2)nc2ccc(Cl)cc12

CCN(CC)CCNc1nc(\C=C\c2ccc(SC)cc2)nc2ccc(Cl)cc12

CSc1ccc(\C=C\c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1

CN(C)CCCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccccc12

CN(C)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccccc12

CCCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccccc12

CC(C)c1ccc(\C=C\c2nc(NCCCN(C)C)c3cc(Cl)ccc3n2)cc1

CCN(CC)CCCNc1nc(\C=C\c2ccc(cc2)C(C)C)nc2ccc(Cl)cc12

CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1

CCN(CC)CCNc1nc(\C=C\c2ccc(cc2)C(C)C)nc2ccc(Cl)cc12

CC(C)c1ccc(\C=C\c2nc(NCCCN(C)C)c3cc(F)ccc3n2)cc1

CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3cc(F)ccc3n2)cc1

CCN(CC)CCNc1nc(\C=C\c2ccc(cc2)C(C)C)nc2ccc(F)cc12

CN(C)CCCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12

CCN(CC)CCCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12

CN(C)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12

CCN(CC)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12

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](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)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](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(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,)|

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(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(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,)|

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,)|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)C#Cc3ccc(CN4CCOCC4)cc3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r|

COc1ccc(COc2ccc(Nc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1

COc1cnc2ccc(Nc3ccc(NCc4ccc(cc4)C(F)(F)F)nc3)c(C#N)c2n1

COc1ccc(COc2ccc(Nc3ccc4ncc(OC)nc4c3)cc2OC)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N(C)C)cc2OC)cc1

COc1ccc(COc2ccc(Oc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1

CNc1cnc2ccc(Nc3ccc(OCc4ccc(OC)cc4)c(OC)c3)c(C#N)c2n1

COc1ccc(COc2ccc(Nc3ccc4ncc(OCCN(C)C)nc4c3C#N)cc2OC)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(NC(C)C)nc4c3C#N)cc2OC)cc1

CCOc1ccc(COc2ccc(Nc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1

CNc1cnc2ccc(Nc3ccc(OCc4ccc(OC)cc4)c(OC)c3)cc2n1

COc1ccc(COc2ccc(Oc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cc1

COc1cnc2ccc(Nc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)c(C#N)c2n1

CCOc1cc(Oc2ccc3ncc(OC)nc3c2C#N)ccc1OCc1ccc(OC)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCN(C)CC3)cc2OC)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(OC(F)(F)F)cc1

CCc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cc1

CCOc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCC1CC1

COc1ccc(COc2ncc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2)cc1

COc1ccc(CNc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(F)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cccnc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc2OCCc2c1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccncc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1nccn1C

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(Cl)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cn1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cnccn1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cn2)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)c(F)c2)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(C)nc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cncn1C

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2F)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccccn1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cc1OC

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCNCC3)cc2OC)cn1

COc1ccc(COc2ccc(cc2OC)N(C)c2ccc3ncc(nc3c2C#N)N2CCOCC2)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cc(C)on1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCCC3)cc2OC)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2Cl)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(cc1)C#N

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cccc(c1)C#N

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCN(CCO)CC3)cc2OC)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCNCC2)ccc1OCc1ccc(C)nc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCC(CC3)OC(C)=O)cc2OC)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCC(C)CC3)cc2OC)cn1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)-n3ccnc3)cc2OC)cn1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCC(COC(C)=O)CC3)cc2OC)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCN(CC3)C(C)=O)cc2OC)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(nc1)C(F)(F)F

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCN(CCOC(C)=O)CC3)cc2OC)cn1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCN(CCO)CC3)cc2OC)cn1

COc1ccc(COc2ccc(Nc3ccc4ncc(NCCN5CCOCC5)nc4c3C#N)cc2OC)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(NC5CCN(Cc6ccccc6)CC5)nc4c3C#N)cc2OC)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCN(C)CC2)ccc1OCc1cccc(c1)C#N

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCCC3)cc2OC)cn1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCN(CC3)C(C)C)cc2OC)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc2OCOc2c1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCC(CC3)N(C)C)cc2OC)cn1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCC3)cc2OC)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCC(CC2)N(C)C)ccc1OCc1cccc(c1)C#N

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCC(CC3)N(C)C)cc2OC)cc1F

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCC3)cc2OC)cn1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCC2)ccc1OCc1cccc(c1)C#N

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccccc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCC(CC2)N(C)C)ccc1OCc1cccc(F)c1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCNCC3)cc2OC)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cccc(F)c1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCC#C

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cc1F

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)c(F)c1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCN(C)CC3)cc2OC)cn1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cc1C#N

COCCN1CCN(CC1)c1cnc2ccc(Nc3ccc(OCc4ccc(OC)nc4)c(OC)c3)c(C#N)c2n1

CCCc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cn1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(F)c(F)c1

COCCN1CCN(CC1)c1cnc2ccc(Nc3ccc(OCc4ccc(C)nc4)c(OC)c3)c(C#N)c2n1

CCc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cn1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCC(CC3)N3CCOCC3)cc2OC)cn1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(nc1)C(C)C

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(nc1)N(C)C

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cnn(C)c1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3)C(C)=C)cc2OC)cc1

COCc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cn1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)C(C)=C)cc2OC)cc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)C(C)C)cc2OC)cc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(CF)nc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(nc1)C(F)F

CCOc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cn1

COc1cc(Nc2ccc3ncc(nc3c2C#N)C2=CCOCC2)ccc1OCc1ccc(C)nc1 |t:20|

COc1cc(Nc2ccc3ncc(nc3c2C#N)C2CCOCC2)ccc1OCc1ccc(C)nc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(CN(C)C)nc1

CCn1cc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cn1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cnn(c1)C(C)C

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCN(CC3)C3CC3)cc2OC)cn1

COc1ccc(COc2ccc(Nc3ccc4ncc(OC(C)C)nc4c3C#N)cc2OC)cn1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(nc1)C1CC1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccoc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccco1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCC1CCCO1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(C)s1

COCc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)nc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccsc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cccs1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cnc(C)nc1

COc1cc(ccc1OCc1ccc(C)nc1)N(C)c1ccc2ncc(nc2c1C#N)N1CCOCC1

COc1cc(ccc1OCc1ccc(nc1)C1CC1)N(C)c1ccc2ncc(nc2c1C#N)N1CCOCC1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cnn(CCF)c1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)nc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N(C)C)ccc1OCc1ccc(C)nc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cnn(c1)C1CC1

COc1cc(Nc2ccc3ncc(nc3c2C(N)=O)N2CCOCC2)ccc1OCc1ccc(C)nc1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CC(C2)N(C)C)ccc1OCc1ccc(C)nc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N(C)C)cc2OC)cn1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CC(C)(C2)OC)ccc1OCc1ccc(C)nc1

COc1ccc(COc2ccc(Nc3ccc4ncc(nc4c3C#N)N(C)C)cc2OC)cc1C#N

COc1cnc2ccc(Nc3ccc(OCc4ccc(OC)c(c4)C#N)c(OC)c3)c(C#N)c2n1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1cnn(CC2CC2)c1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)cnc1OCc1ccc(C)nc1

COc1ccc(COc2ncc(Nc3ccc4ncc(nc4c3C#N)N3CCOCC3)cc2OC)cn1

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2C[C@H](C)O[C@H](C)C2)ccc1OCc1ccc(C)nc1 |r|

COc1cc(Nc2ccc3ncc(nc3c2C#N)N2CCOCC2)ccc1OCc1ccc(C)[n+]([O-])c1

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3)c12)C1CCCN(C1)C(=O)C(Br)=C

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C(Br)=C

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|

Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|

Nc1ncnc2n(C[C@@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

Nc1ncnc2n(C[C@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

Nc1ncnc2n(C[C@@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(Cl)ccc34)cc(c2)C2CC2)C[C@@H](C)N1

C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1

C[C@H]1CN(Cc2cc(Nc3ncc(F)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1

C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(CO)ccc34)cc(c2)C2CC2)C[C@@H](C)N1

COc1cc2c(c[nH]c2cc1C)-c1nc(Nc2cc(CN3C[C@H](C)N[C@H](C)C3)cc(c2)C2CC2)ncc1Cl

C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)c(O)cc34)cc(c2)C2CC2)C[C@@H](C)N1

C[C@H]1CN(Cc2cc(cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)c2O)C2CC2)C[C@@H](C)N1

C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)CC(C)(C)N1

C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@H](CO)N1

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccn(C)n1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccn(CCC(F)(F)F)n1)[C@H]1CNC(=O)C1 |r|

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C(F)F)[C@H]1CNC(=O)C1 |r|

COc1nn(C)cc1-c1[nH]c2ncc3c(c2c1-c1ccc2c(cnn2C)c1)n(C1CCOCC1)c(=O)n3C

[2H]C([2H])([2H])n1ncc2cc(-c3c(-c4cn(C)nc4OC)[nH]c4ncc5c(c34)n(C3CCOCC3)c(=O)n5C)ccc21

Cn1cc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C)c2)n([C@H]2CC[C@@H](CC#N)CC2)c(=O)n4C)cn1

COc1nn(C)cc1c3[nH]c2ncc7c(c2c3c5ccc4c(cnn4C)c5)n([C@H]6CC[C@@H](CC#N)CC6)c(=O)n7C

CN(C)C(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C)c2)n(C2CCCC2)c(=O)n4C)cc1

Cn1c(=O)n(C2CCCC2)c2c3c(-c4ccccc4)c(-c4ccc(CN5CCC(S(C)(=O)=O)CC5)cc4)[nH]c3ncc21

Cn1ncc2cc(-c3c(-c4ccc(CN5CCC(S(C)(=O)=O)CC5)cc4)[nH]c4ncc5c(c34)n(C3CCCC3)c(=O)n5C)ccc21

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)N6C7CCC6COC7)c(OC)c5)c(-c5cccc(F)c5)c4c32)C1

CCNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1F

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NCCCNc6ccccc6)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NC6CC6)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NC6CC6(F)F)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NC6CC6C(F)(F)F)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NCC(F)(F)F)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

CNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1F

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NC6(C(F)(F)F)CC6)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

COCCNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1F

COCCN(C)C(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1F

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)N6CCOCC6)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

CCNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1OC

COCCNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)N6CCOCC6)cc5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

CNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)N(C)C)cc5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

CCNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)N6CCC(F)(F)CC6)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

[2H]C([2H])([2H])N(Cc7ccc(c2[nH]c1ncc6c(c1c2c4ccc3OC(C)(C)Cc3c4)n([C@@H]5CC[C@@H](NC(=O)OC)C5)c(=O)n6C([2H])([2H])[2H])cc7)C([2H])([2H])[2H]

[2H]C([2H])([2H])n1c(=O)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c2c3c(-c4ccc5c(cnn5C(C)C)c4)c(-c4ccc(CN(C)C)cc4)[nH]c3ncc21

[2H]C([2H])([2H])N(Cc1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc(OCCOC)cc2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C([2H])([2H])[2H])cc1)C([2H])([2H])[2H]

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(CN(C)C)cc5)c(-c5ccc(F)cc5)c4c32)C1

[2H]C([2H])([2H])N(Cc1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(c2)COC3(C)C)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C([2H])([2H])[2H])cc1)C([2H])([2H])[2H]

[2H]C([2H])([2H])n1c(=O)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c2c3c(-c4ccc5c(c4)COC5(C)C)c(-c4ccc(C(=O)N(C)C)cc4)[nH]c3ncc21

COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1

COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1

COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1ccncc1

Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1

Cc1n[nH]c(C)c1-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1 |(-3.48,-.49,;-4.63,.54,;-6.13,.22,;-6.9,1.56,;-5.87,2.7,;-6.19,4.21,;-4.47,2.08,;-3.13,2.85,;-1.8,2.08,;-.47,2.85,;1,2.37,;1.9,3.62,;1,4.86,;-.47,4.39,;-1.8,5.16,;-3.13,4.39,;-4.47,5.16,;-4.47,6.7,;1.47,.91,;.44,-.24,;.92,-1.7,;2.43,-2.02,;3.46,-.88,;4.96,-1.2,;5.44,-2.66,;4.53,-3.91,;5.44,-5.16,;6.9,-4.68,;6.9,-3.14,;2.98,.59,)|

COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cnn(CCN2CCOCC2)c1

COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cc[nH]c1

Cc1noc(C)c1-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1 |(-3.48,-.49,;-4.63,.54,;-6.13,.22,;-6.9,1.56,;-5.87,2.7,;-6.19,4.21,;-4.47,2.08,;-3.13,2.85,;-1.8,2.08,;-.47,2.85,;1,2.37,;1.9,3.62,;1,4.86,;-.47,4.39,;-1.8,5.16,;-3.13,4.39,;-4.47,5.16,;-4.47,6.7,;1.47,.91,;.44,-.24,;.92,-1.7,;2.43,-2.02,;3.46,-.88,;4.96,-1.2,;5.44,-2.66,;4.53,-3.91,;5.44,-5.16,;6.9,-4.68,;6.9,-3.14,;2.98,.59,)|

COc1cc2ncc(-c3cccc(NC4CCCNC4)n3)n2cc1-c1cn[nH]c1

CN(C1CCNC1)c1cccc(n1)-c1cnc2cc(CO)c(cn12)-c1cn[nH]c1

COc1cc2ncc(-c3cccc(OC4CCNC4)n3)n2cc1-c1cn[nH]c1

COc1cc2ncc(-c3nc(NC4CCNC4)c(F)cc3F)n2cc1-c1cn[nH]c1

COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1OC

COc1cc(cn2c(cnc12)-c1cccc(NC2CCNC2)n1)-c1cn[nH]c1

COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1nnn[nH]1

COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1C#N

Clc1cn2c(cnc2cc1OCCN1CCOCC1)-c1cccc(NC2CCNC2)n1

C(CN1CCOCC1)Oc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1

Clc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1

COc1cc(Cl)cn2c(cnc12)-c1cccc(NC2CNC2)n1

C1CC(CN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1cn[nH]c1

C1NCC1Nc1cccc(n1)-c1cnc2ccc(cn12)-c1cn[nH]c1

Cn1cc(cn1)-c1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1

Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1

Fc1cc(F)c(nc1NC1CNC1)-c1cnc2ccc(Cl)cn12

C1NCC1Nc1cccc(n1)-c1cnc2ccccn12

Cc1ccc(nc1NC1CNC1)-c1cnc2ccc(Cl)cn12

Cc1ccc(NC2CNC2)nc1-c1cnc2ccc(Cl)cn12

COc1ccn2c(cnc2c1)-c1cccc(NC2CNC2)n1

CN(C1CCNCC1)c1cccc(n1)-c1cnc2ccc(Cl)cn12

Brc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1

Clc1ccc2ncc(-c3cc(Br)cc(NC4CNC4)n3)n2c1

Cc1cc(NC2CNC2)nc(c1)-c1cnc2ccc(Cl)cn12

CC(=O)N1CC(C1)Nc1cccc(n1)-c1cnc2ccc(Cl)cn12

Clc1ccc2ncc(-c3cccc(NC4CN(C4)C(=O)c4ccccc4)n3)n2c1

Clc1ccc2ncc(-c3cccc(NC4CN(C4)C(=O)CC#N)n3)n2c1

N#Cc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1

Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1

Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1

Cc1ccn2c(cnc2c1)-c1cccc(NC2CNC2)n1

Clc1cc2ncc(-c3cccc(NC4CNC4)n3)n2cc1Cl

Clc1ccn2c(cnc2c1)-c1cccc(NC2CNC2)n1

CCN1CCN(CC1)c1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1

COc1cc(NC2CNC2)nc(c1)-c1cnc2ccc(Cl)cn12

OCc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1C#C

C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3cn(c4cc(CO)ccc34)S(=O)(=O)c3ccc(C)cc3)cc(c2)C2CC2)C[C@@H](C)N1 |r|

COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1

COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1

COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCBr)c2c1

COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN)c2c1

COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCN(C)CC3)c2c1

COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCOCC3)c2c1

O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(cc12)C(O)=O

OC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCBr)c2c1

NCCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(cc12)C(O)=O

OC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1

CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccc(cc23)C(O)=O)CC1

[O-]C(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCOCC3)c2c1

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

O\N=C1\C(\Nc2ccc(O)cc\12)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O

CN1CCN(CCO\N=C2\C(\Nc3ccc(O)cc\23)=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)CC1

[O-][N+](=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1

[O-][N+](=O)c1ccc2NC(=O)\C(=C3/Nc4ccc(F)cc4/C/3=N\OCCN3CCNCC3)c2c1

CN1CCN(CCO\N=C2\C(\Nc3ccc(F)cc\23)=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)CC1

[O-][N+](=O)c1ccc2NC(=O)\C(=C3/Nc4ccc(F)cc4/C/3=N\OCCN3CCCCC3)c2c1

[O-][N+](=O)c1ccc2NC(=O)\C(=C3/Nc4ccc(F)cc4/C/3=N\OCCN3CCCC3)c2c1

Fc1ccc2N\C(\C(=N\OCCN3CCNCC3)\c2c1)=C1/C(=O)Nc2ccc(F)cc12

CN1CCN(CCO\N=C2\C(\Nc3ccc(F)cc\23)=C2\C(=O)Nc3ccc(F)cc23)CC1

Fc1ccc2N\C(\C(=N\OCCN3CCCCC3)\c2c1)=C1/C(=O)Nc2ccc(F)cc12

Fc1ccc2N\C(\C(=N\OCCN3CCCC3)\c2c1)=C1/C(=O)Nc2ccc(F)cc12

NC1CCN(CCO\N=C2\C(\Nc3ccc(F)cc\23)=C2\C(=O)Nc3ccc(F)cc23)CC1

Fc1ccc2N\C(\C(=N\OCCNC3CCNCC3)\c2c1)=C1/C(=O)Nc2ccc(F)cc12

Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCOCC3)c2c1

O=C1Nc2ccccc2\C1=C1\Nc2ccccc2\C\1=N/OCCN1CCNCC1

CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccccc23)CC1

O=C1Nc2ccccc2\C1=C1\Nc2ccccc2\C\1=N/OCCN1CCCCC1

O=C1Nc2ccccc2\C1=C1\Nc2ccccc2\C\1=N/OCCN1CCCC1

O=C1Nc2ccccc2\C1=C1\Nc2ccccc2\C\1=N/OCCNC1CCNCC1

Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1

CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccc(F)cc23)CC1

Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCCCC3)c2c1

Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCCC3)c2c1

Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCNC3CCNCC3)c2c1

Clc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1

CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccc(Cl)cc23)CC1

Brc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1

CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccc(Br)cc23)CC1

Ic1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1

CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccc(I)cc23)CC1

FC(F)(F)Oc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1

CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccc(OC(F)(F)F)cc23)CC1

COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1

COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCN(C)CC3)c2c1

CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1

Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CCC4)C3=O)nc2)ccn1

Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CCC(F)(F)CC4)C3=O)nc2)ccn1

Cc1nc(NC(=O)N2CCC3(CCC(F)(F)CC3)C2=O)ccc1Oc1ccnc(c1)-c1cnn(C)c1

Cc1nc(NC(=O)N2CCC3(CCC3)C2=O)ccc1Oc1ccnc(c1)-c1cnn(C)c1

Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CCCC(F)(F)C4)C3=O)nc2)ccn1

Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CCC(=O)C4)C3=O)nc2)ccn1

Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CN(C4)S(C)(=O)=O)C3=O)nc2)ccn1

COc1nc(C)ccc1-c1cnc2sc(nn12)N1CCC(N)(CO)CC1

COCCOc1cc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C

CCOc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1

COCCOc1cc(Cl)ccc1-c1cnc2sc(nn12)N1CCC(N)(CO)CC1

COc1cc(C)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1

CCOc1cc(F)ccc1-c1cnc2sc(nn12)N1CC[C@@](N)(CO)C1 |r|

COc1cc(Cl)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1

COc1cc(F)ccc1-c1cnc2sc(nn12)N1CC[C@](N)(CO)C1 |r|

COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1

COc1cc(F)ccc1-c1cnc2sc(nn12)N1CC[C@](O)(CN)C1 |r|

COCCOc1cc(Cl)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1

CCOc1cc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(F)(F)F

COc1cc(C)ccc1-c1cnc2sc(nn12)N1CCNC(CCO)C1

COc1nc(C)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1

COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C

COc1nc(ccc1-c1cnc2sc(nn12)N1C[C@@H]2OCC[C@@H](N)[C@@H]2C1)C(C)C |r|

COc1nc(ccc1-c1cnc2sc(nn12)N1C[C@H]2OCC[C@H](N)[C@H]2C1)C(C)C |r|

CCOc1nc(ccc1-c1cnc2sc(nn12)N1C[C@H]2OCC[C@H](N)[C@H]2C1)C(C)C |r|

CCOc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C

CCC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F

CC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F

CC(NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1

CCc1ccc(cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1)C(C)NC(=O)c1cccc(c1)C(F)(F)F

FC(F)(F)c1cccc(NC(=O)c2ccc(C3CC3)c(c2)-c2ccc3nc(Nc4cnn(c4)C4CC4)ncc3c2)c1

Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C

c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F

CC(C)(C)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|

CC(C)(C)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1

CC(C)(C)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|

CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|

CC1(CC1)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1

CC1(CC1)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1

CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1 |r|

CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1(C)CC1 |r|

CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|

CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|

CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1 |r|

CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCCC4(F)F)n3)n2c1 |r|

CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2c1 |r|

CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)n2c1 |r|

F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1(CC1)C(F)(F)F |r|

FC(F)(F)C1(CC1)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1

FC(F)(F)C1(CC1)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1

FC(F)(F)C1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|

F[C@H]1CCNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1(CC1)C(F)(F)F |r|

COc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|

CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(OC)cn12 |r|

COc1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|

F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(OC(F)(F)F)cn12 |r|

FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|

FC(F)Oc1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1

FC(F)Oc1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1

OC[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(OC(F)F)cn12 |r|

FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)F)n3)n2c1 |r|

Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|

COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(c1)C(F)F |r|

COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(c1)C1CC1 |r|

COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1 |r|

COc1cc2ncc(-c3cccc(N[C@H]4CCNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1 |r|

COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(CC(C)(C)O)c1 |r|

COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1 |r|

COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(c1)C1CC1 |r|

COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1

COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(F)(F)F)c1

COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(C)c1

COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(c1)C(F)F |r|

OCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1 |r|

CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|

CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|

COc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|

F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1CC1 |r|

FC(F)(F)[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1CC1 |r|

FC(F)[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1CC1 |r|

C1CC1c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|

FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|

CC1(C)CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F |r|

FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|

FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1 |r|

CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F |r|

FC(F)[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F |r|

C[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F |r|

FC(F)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1

FC(F)c1ccc2ncc(-c3cccc(NC4CC5(C4)CCNC5)n3)n2c1 |(-6.48,3.83,;-5.15,3.06,;-5.15,1.52,;-3.81,3.83,;-3.81,5.37,;-2.48,6.14,;-1.14,5.37,;.32,5.85,;1.23,4.6,;.32,3.36,;1.09,2.02,;0,.93,;.4,-.55,;1.89,-.95,;2.98,.14,;4.46,-.26,;5.23,-1.6,;4.14,-2.68,;5.23,-3.77,;6.32,-2.68,;3.99,-4.68,;4.46,-6.14,;6,-6.14,;6.48,-4.68,;2.58,1.62,;-1.14,3.83,;-2.48,3.06,)|

FC(F)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1

FC(F)c1ccc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2c1

CC(C)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|

CC(C)Oc1ccn2c(cnc2c1)-c1cc(F)cc(N[C@H]2CNC[C@@H]2F)n1 |r|

CC(C)Oc1ccn2c(cnc2c1)-c1nc(N[C@H]2CNC[C@@H]2F)c(F)cc1F |r|

CC(C)Oc1ccn2c(cnc2c1)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r|

CC(C)Oc1ccn2c(cnc2c1)-c1ccnc(N[C@H]2CNCC[C@@H]2F)n1 |r|

CC(C)Oc1ccn2c(cnc2c1)-c1cncc(N[C@H]2CNC[C@@H]2F)n1 |r|

CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1)C(F)(F)F |r|

CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@@H]2CNC[C@H]2F)n1)C(F)(F)F |r|

CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r|

CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1Cl |r|

NC(=O)c1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|

CNC(=O)c1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|

F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(OC3CC3)ccn12 |r|

FC(F)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|

COc1cc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2cc1C(C)(C)O |r|

CC(C)(O)c1cn2c(cnc2cc1CO)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r|

CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F |r|

CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F |r|

CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1)C(F)(F)F |r|

F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(OC(F)(F)F)ccn12 |r|

F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)-c1ncc[nH]1 |r|

F[C@H]1CCNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)-c1ncc[nH]1 |r|

FC(F)COc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|

CC(C)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|

CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1F |r|

CC1(CC1)c1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|

F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(Cl)ccn12 |r|

F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)C1CC1 |r|

Cn1cc(cn1)-c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|

CC(C)(O)Cn1cc(cn1)-c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|

F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)-c1cnn(c1)C1CC1 |r|

CC1(C)NCCC1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F

COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CCN(C)CC1

CCN1CCN(CC1)c1cnc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)cc1OC

COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CC2(COC2)C1

COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CC2(CNC2)C1

COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CCNC(C)(C)C1

CNC1CN(C1)c1cnc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)cc1OC

CCOc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CCN(C)CC1

CCOc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CCOCC1

CCOc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CC2CC(C1)N2

CC(C)n1cnc2ccc3cnc(Nc4cc(OCC5CC5)c(cn4)N4CCNCC4)nc3c12

COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1C2CCC1CNC2

COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CC2CCC1CN2

CC#CCOc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CCNCC1

CC(C)n1cnc2ccc3cnc(Nc4cc(Oc5ccccc5)c(cn4)N4CCNCC4)nc3c12

COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1NCC1COC(=O)N1C

COc1cc(Nc2ncc3cc(C)c4ncn(C(C)C)c4c3n2)ccc1N1CCOCC1

CCOc1cc(Nc2ncc3c(C)cc4ncn(C(C)C)c4c3n2)ncc1N1CCNCC1

CC(C)Oc1cc(Nc2ncc3ccc4ncn(C)c4c3n2)ncc1N1CCNCC1

CCOc1cc(Nc2ncc3ccc4ncn(CC)c4c3n2)ncc1N1CCN(CC)CC1

COc1cc(Nc2ncc3ccc4nc(C)n(C(C)C)c4c3n2)ncc1N1CCOCC1

CNN1CCN(CC1)C(=O)Nc1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

CN1CCN(Cc2cccc(c2)-c2cnc3[nH]cc(-c4cc(CNCCc5ccc(O)cc5)ccc4F)c3c2)CC1

CN1CCN(Cc2cccc(c2)-c2cnc3[nH]cc(-c4cc(CNCc5ccccc5)ccc4F)c3c2)CC1

CN1CCN(Cc2cccc(c2)-c2cnc3[nH]cc(-c4cc(NC(=O)Nc5ccccc5)ccc4F)c3c2)CC1

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)nccc2Cl)cc(n1)N1CCN(CCO)CC1

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

COc1ccc(-c2nn(-c3ccc4c(c3)CNCC4)c3c2cnc2ccccc23)cc1OC

COc1ccc(-c2nn(-c3ccc4c(c3)CCNC4)c3c2cnc2ccccc23)cc1OC

COc1ccc(-c2nn(-c3ccc4c(c3)CNC4)c3c2cnc2ccccc23)cc1OC

COc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4ccc5c(c4)CCCC5)c3c2c1

COC1=CC2c3c(c(C4=CC(OC)C(OC)C=C4)nn3C3C=C4CCNCC4=CC3)C=NC2C=C1

COC1=CC2c3c(c(C4=CC(OC)C(OC)C=C4)nn3C3C=C4CNCC4=CC3)C=NC2C=C1

CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3c(N)ncc4ccc(Cl)cc34)cc2C(F)(F)F)CC1

CC1C=CC(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)=CC1C#CC1=C2C=CC=NC2C(N)N=C1

CC1C=CC(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)=CC1C#Cc1cnc(N)c2ccccc12

CN(C)CC(O)CNC(=O)c1cccc(C#Cc2c(N)ncc3ccc(Cl)cc23)c1

Cc1ccc(C(=O)NCCN2CCCCC2)cc1C#Cc1c(N)ncc2ccc(Cl)cc12

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(CC(F)(F)F)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC4CC4)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(C4CC4)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3cnc(OCC(C)(F)F)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(CC4CC4)cn3)c(F)cc2C)s1

Cc1cc(F)c(C(=O)Nc2ccc(OC3CC3)cn2)cc1NC(=O)c1cnc(NC(=O)N2CCC2)s1

Cc1cc(F)c(C(=O)Nc2ccc(CC3CC3)cn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(OC(F)(F)F)cn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(OC(F)F)cn2)cc1NC(=O)c1cnc(N)s1

COCc1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)nc1

Cc1cc(F)c(C(=O)Nc2ccc(CC(F)(F)F)cn2)cc1NC(=O)c1cnc(N)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC4CC4)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(C(F)(F)F)cn3)c(F)cc2C)s1

CCOc1cnc(NC(=O)c2cc(NC(=O)c3cnc(C)s3)c(C)cc2F)cn1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(C(C)(F)F)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(C4CC4)nc3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC(F)F)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC(C)C)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ncc(C4CC4)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(CC(F)F)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(CC(F)(F)F)cn3)c(F)cc2Cl)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccn(C4CCC4)n3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccn(C(C)C)n3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccn(CC(C)C)n3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(C4(C(F)(F)F)CC4)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(CC(F)(F)F)cn3)c(C)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(COC(F)F)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3cncc(COC(F)F)c3)c(F)cc2C)s1

CCc1ccc(NC(=O)c2cc(NC(=O)c3cnc(C)s3)c(C)cc2F)nc1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3cnc(N4CCC[C@@H]4C)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3cnc(OCC(F)F)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3cnc(OC(F)(F)F)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3cnc(OCC(F)(F)F)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3cnc(CC4CC4)cn3)c(F)cc2C)s1

Cc1ncc(C(=O)Nc2cc(C(=O)Nc3cnc(N4CCC[C@@H]4C(F)(F)F)cn3)c(F)cc2C)s1

Cc1cc(F)c(C(=O)N[C@H]2CCOC2)cc1NC(=O)c1cnc(NC(=O)N2CCC2)s1

Cc1cc(F)c(C(=O)NCC2(F)CC2)cc1NC(=O)c1cnc(NC(=O)N2CCC2)s1

Cc1cc(F)c(C(=O)NCC2(F)CCC2)cc1NC(=O)c1cnc(NC(=O)N2CCC2)s1

Cc1cc(F)c(C(=O)N[C@H]2CCOC2)cc1NC(=O)c1cnc(NC(=O)N2CCOCC2)s1

COC(=O)Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC4CC4)cn3)c(F)cc2C)s1

Cc1cc(F)c(C(=O)Nc2ccc3c(n2)COCC3)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc3c(n2)CCOC3)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(O[C@H]3CCOC3)cn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(C3(C#N)CC3)cn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc3c(n2)COC3)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)NCC(F)(F)F)cc1NC(=O)c1cnc(N)s1

CO[C@H]1C[C@@H](NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)C1

Cc1cc(F)c(C(=O)N[C@H]2C[C@@H](F)C2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(OC3CC3)cn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(C3CC3)cn2)cc1NC(=O)c1cnc(N)s1

COc1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)nc1

Cc1cc(F)c(C(=O)Nc2ccccn2)cc1NC(=O)c1cnc(N)s1

Cc1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)nc1

Cc1cc(F)c(C(=O)Nc2ccc(OC3CCC3)cn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(C3CC3)nn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)N[C@H]2C[C@H]2F)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)N[C@@H]2C[C@@H]2F)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)N[C@H]2C[C@@H]2F)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccn(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(OC(C)C)cn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccn(CC(C)C)n2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(OCC3CC3)cn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(OC3(C)CC3)cn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccn(CC(F)F)n2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccn([C@@H]3CCOC3)n2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccn(C3CCOCC3)n2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(OC3CC3)c(C)n2)cc1NC(=O)c1cnc(N)s1

COCCn1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)n1

Cc1cc(F)c(C(=O)Nc2ccn(C3CCC3)n2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2cc3n(n2)CCC3)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccn(C(C)C)n2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccn(C3CC3)n2)cc1NC(=O)c1cnc(N)s1

Cc1cnc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)s1

Cc1cc(F)c(C(=O)Nc2cnn(C3CC3)c2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccn(C)n2)cc1NC(=O)c1cnc(N)s1

Cc1ncc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)s1

Cc1cc(F)c(C(=O)Nc2cnn(C)c2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccn(-c3ccccn3)n2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2cnn(C(C)C)n2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccn(-c3ccccc3)n2)cc1NC(=O)c1cnc(N)s1

CCn1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)n1

Cc1cc(F)c(C(=O)Nc2ccn(C(F)F)n2)cc1NC(=O)c1cnc(N)s1

CO[C@H]1C[C@@H](n2ccc(NC(=O)c3cc(NC(=O)c4cnc(N)s4)c(C)cc3F)n2)C1

CO[C@H]1C[C@H](n2ccc(NC(=O)c3cc(NC(=O)c4cnc(N)s4)c(C)cc3F)n2)C1

COc1ccnc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)c1

Cc1cc(F)c(C(=O)Nc2ccn([C@H]3CCOC3)n2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)NCC2(F)CCC2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)NCC2(F)CC2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)N[C@H]2CCOC2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(COC(C)C)cn2)cc1NC(=O)c1cnc(N)s1

CCOCc1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)nc1

COC(c1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)nc1)C1CC1

COCc1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(Cl)cc2F)nc1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ncc(C4CC4)cn3)c(F)cc2Cl)s1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3cnc(C4CC4)nc3)c(F)cc2Cl)s1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3cnc(C4CC4)cn3)c(F)cc2Cl)s1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(C(F)F)cn3)c(F)cc2Cl)s1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC(F)F)cn3)c(F)cc2Cl)s1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC4CC4)cn3)c(F)cc2Cl)s1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cn3)c(F)cc2F)s1

CCOc1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(F)cc2F)nc1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OCC(F)F)cn3)c(F)cc2F)s1

COCc1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(F)cc2F)nc1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(C(F)(F)F)cn3)c(F)cc2F)s1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(C(F)F)cn3)c(F)cc2F)s1

CC(C)Oc1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(F)cc2F)nc1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC(F)F)cn3)c(F)cc2F)s1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OCC(F)(F)F)cn3)c(F)cc2F)s1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC4CC4)cn3)c(F)cc2F)s1

Cc1cc(F)c(C(=O)Nc2ccc(C(F)F)cn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(OC(F)F)cc2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(OC3CC3)cc2)cc1NC(=O)c1cnc(N)s1

COc1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)cc1

Cc1cc(F)c(C(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cnc(N)s1

Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC4CC4)cn3)c(F)cc2Br)s1

Cc1cc(F)c(C(=O)Nc2ccc(OC3CC3)cn2)cc1NC(=O)c1cnc(NC(=N)C2CC2)s1

CC(=O)Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC4CC4)cn3)c(F)cc2C)s1

CC(=O)Nc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC4CC4)cn3)c(F)cc2C)s1

CNc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(OC4CC4)cn3)c(F)cc2C)s1

COCC1(c2ccc(NC(=O)c3cc(NC(=O)c4cnc(N)s4)c(C)cc3F)nc2)CC1

COCCc1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)nc1

Cc1cc(F)c(C(=O)Nc2ccc(COCC3CC3)cn2)cc1NC(=O)c1cnc(N)s1

CCc1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)nc1

CO[C@H](C)c1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)nc1

CO[C@@H](C)c1ccc(NC(=O)c2cc(NC(=O)c3cnc(N)s3)c(C)cc2F)nc1

Cc1cc(F)c(C(=O)Nc2ccc(OC3CC3)nn2)cc1NC(=O)c1cnc(N)s1

Cc1cc(F)c(C(=O)Nc2ccc(OC(C)C)nn2)cc1NC(=O)c1cnc(N)s1

COC1(c2ccc(NC(=O)c3cc(NC(=O)c4cnc(N)s4)c(C)cc3F)nc2)CC1

Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12 |r,w:4.3|

c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6

Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12

Clc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12

Cc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12

Oc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12

N#Cc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12

C1CCC(C1)n1c2nnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12

C[C@@H](CO)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r|

O[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(9.78,-56.01,;9.31,-54.55,;10.34,-53.41,;9.88,-51.94,;8.38,-51.63,;7.35,-52.76,;7.81,-54.22,;7.91,-50.17,;8.82,-48.92,;10.35,-48.76,;10.98,-47.35,;10.07,-46.1,;8.54,-46.26,;7.92,-47.66,;6.44,-48.14,;5.1,-47.37,;3.77,-48.15,;3.78,-49.68,;2.45,-50.46,;2.45,-52,;3.79,-52.76,;3.8,-54.31,;2.46,-55.09,;1.12,-54.32,;1.12,-52.77,;2.46,-56.63,;1.12,-57.4,;1.11,-58.93,;2.44,-59.71,;3.78,-58.94,;3.79,-57.4,;5.11,-50.45,;6.44,-49.69,)|

C1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12

CC1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |(35.98,-56.71,;35.51,-55.25,;34.01,-54.92,;33.54,-53.46,;34.57,-52.32,;36.08,-52.63,;36.55,-54.1,;34.1,-50.85,;35.01,-49.6,;36.54,-49.45,;37.17,-48.04,;36.26,-46.79,;34.73,-46.95,;34.11,-48.35,;32.64,-48.83,;31.29,-48.06,;29.97,-48.84,;29.98,-50.37,;28.65,-51.14,;28.65,-52.68,;29.99,-53.45,;29.99,-55,;28.66,-55.77,;27.32,-55,;27.33,-53.45,;28.66,-57.31,;27.32,-58.08,;27.31,-59.61,;28.64,-60.38,;29.98,-59.62,;29.99,-58.07,;31.31,-51.14,;32.63,-50.37,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(47.68,-57.06,;47.21,-55.59,;48.24,-54.45,;47.78,-52.99,;46.29,-52.68,;45.25,-53.81,;45.71,-55.26,;45.82,-51.22,;46.72,-49.97,;48.26,-49.81,;48.89,-48.4,;47.98,-47.15,;46.45,-47.31,;45.82,-48.71,;44.35,-49.19,;43,-48.42,;41.68,-49.2,;41.69,-50.73,;40.36,-51.51,;40.36,-53.05,;41.7,-53.81,;41.7,-55.37,;40.36,-56.14,;39.03,-55.37,;39.03,-53.82,;40.36,-57.68,;39.02,-58.45,;39.02,-59.98,;40.35,-60.76,;41.69,-59.99,;41.7,-58.45,;43.02,-51.51,;44.34,-50.74,)|

CC1(C)CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12

CC1(C)CCCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nc3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(34.74,-35.4,;34.27,-33.94,;35.31,-32.8,;34.84,-31.33,;33.33,-31.01,;32.3,-32.15,;32.77,-33.61,;32.86,-29.55,;33.77,-28.3,;35.3,-28.14,;35.93,-26.73,;35.02,-25.48,;33.49,-25.65,;32.87,-27.05,;31.4,-27.52,;30.05,-26.75,;28.73,-27.53,;28.74,-29.06,;27.41,-29.84,;27.41,-31.38,;28.74,-32.13,;28.75,-33.66,;27.42,-34.45,;26.08,-33.68,;26.08,-32.14,;27.42,-35.99,;26.09,-36.76,;26.1,-38.29,;27.43,-39.06,;28.76,-38.29,;28.76,-36.74,;30.07,-29.83,;31.39,-29.07,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(45.37,-36.01,;44.9,-34.54,;45.94,-33.4,;45.47,-31.93,;43.97,-31.61,;42.93,-32.75,;43.4,-34.21,;43.49,-30.15,;44.4,-28.9,;45.93,-28.74,;46.56,-27.34,;45.65,-26.08,;44.12,-26.25,;43.5,-27.65,;42.03,-28.12,;40.68,-27.36,;39.36,-28.13,;39.37,-29.66,;38.04,-30.44,;38.04,-31.98,;39.37,-32.73,;39.38,-34.27,;38.05,-35.05,;36.71,-34.28,;36.71,-32.74,;38.06,-36.59,;36.72,-37.36,;36.73,-38.89,;38.06,-39.67,;39.39,-38.89,;39.39,-37.35,;40.7,-30.43,;42.02,-29.67,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC(N)CC3)nc12 |r,wU:4.7,wD:1.0,(11.29,-49.99,;10.82,-48.52,;11.85,-47.38,;11.38,-45.91,;9.88,-45.59,;8.84,-46.74,;9.31,-48.2,;9.41,-44.13,;10.31,-42.88,;11.84,-42.73,;12.48,-41.32,;11.56,-40.07,;10.04,-40.23,;9.41,-41.63,;7.94,-42.1,;6.6,-41.34,;5.27,-42.12,;5.28,-43.65,;3.95,-44.42,;3.96,-45.96,;5.29,-46.72,;5.3,-48.25,;3.96,-49.03,;2.63,-48.27,;2.62,-46.73,;3.97,-50.58,;2.64,-51.35,;2.64,-52.89,;3.98,-53.66,;3.98,-55.2,;5.31,-52.88,;5.31,-51.34,;6.62,-44.42,;7.94,-43.65,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC(CC3)N(C)C)nc12 |r,wU:4.7,wD:1.0,(23.53,-50.28,;23.06,-48.82,;24.09,-47.68,;23.62,-46.2,;22.12,-45.89,;21.08,-47.03,;21.55,-48.49,;21.65,-44.42,;22.55,-43.17,;24.08,-43.02,;24.72,-41.61,;23.8,-40.36,;22.28,-40.52,;21.65,-41.92,;20.18,-42.4,;18.83,-41.63,;17.51,-42.41,;17.52,-43.94,;16.19,-44.71,;16.17,-46.25,;17.49,-47.02,;17.48,-48.55,;16.14,-49.31,;14.82,-48.53,;14.84,-47,;16.13,-50.84,;14.78,-51.59,;14.77,-53.13,;16.09,-53.92,;17.43,-53.16,;17.45,-51.62,;16.07,-55.46,;14.73,-56.21,;17.4,-56.24,;18.85,-44.71,;20.18,-43.94,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CC3)N(C)C)nc12 |r,wU:4.7,wD:1.0,(36.03,-51.17,;35.57,-49.71,;36.6,-48.56,;36.13,-47.09,;34.63,-46.77,;33.59,-47.92,;34.06,-49.38,;34.16,-45.31,;35.06,-44.06,;36.59,-43.9,;37.22,-42.5,;36.31,-41.25,;34.79,-41.41,;34.16,-42.81,;32.69,-43.28,;31.34,-42.52,;30.02,-43.3,;30.03,-44.83,;28.7,-45.6,;28.68,-47.13,;30,-47.91,;29.99,-49.43,;28.65,-50.19,;27.33,-49.41,;27.35,-47.88,;28.64,-51.73,;27.29,-52.48,;27.28,-54.01,;28.6,-54.8,;29.94,-54.05,;29.96,-52.5,;28.58,-56.34,;27.24,-57.1,;29.91,-57.13,;31.36,-45.6,;32.69,-44.83,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(N4CCC(CC4)N(C)C)c(F)n3)nc12 |r,wU:4.7,wD:1.0,(48.6,-50.76,;48.13,-49.29,;49.17,-48.15,;48.7,-46.68,;47.19,-46.36,;46.16,-47.5,;46.63,-48.96,;46.72,-44.9,;47.63,-43.65,;49.16,-43.49,;49.79,-42.08,;48.88,-40.83,;47.35,-40.99,;46.73,-42.4,;45.26,-42.87,;43.91,-42.1,;42.58,-42.88,;42.6,-44.41,;41.27,-45.19,;41.25,-46.72,;42.56,-47.49,;42.55,-49.02,;41.22,-49.78,;41.2,-51.31,;39.86,-52.07,;39.84,-53.6,;41.17,-54.39,;42.51,-53.63,;42.53,-52.09,;41.15,-55.93,;39.8,-56.68,;42.47,-56.72,;39.9,-49,;38.55,-49.76,;39.91,-47.47,;43.93,-45.18,;45.25,-44.42,)|

COc1nc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)ccc1N1CCC(CC1)N(C)C |r,wU:17.17,wD:20.21,(.78,-65.37,;2.1,-66.15,;3.44,-65.38,;3.44,-63.83,;4.77,-63.06,;4.76,-61.52,;6.09,-60.75,;6.08,-59.22,;7.4,-58.44,;8.75,-59.21,;10.22,-58.73,;10.84,-57.33,;12.37,-57.17,;13.28,-58.42,;12.65,-59.83,;11.12,-59.98,;10.21,-61.23,;10.69,-62.7,;12.2,-63.02,;12.67,-64.49,;11.63,-65.63,;12.1,-67.1,;10.13,-65.3,;9.66,-63.84,;8.74,-60.75,;7.42,-61.52,;6.1,-63.83,;6.11,-65.38,;4.77,-66.15,;4.77,-67.69,;3.43,-68.46,;3.43,-69.99,;4.76,-70.76,;6.09,-70,;6.1,-68.45,;4.75,-72.3,;3.41,-73.07,;6.08,-73.08,)|

C[C@@H](O)CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)nn1 |r,wU:28.29,1.0,wD:31.33,(19.97,-71.17,;19.95,-72.71,;21.28,-73.5,;18.61,-73.46,;17.29,-72.68,;15.94,-73.43,;17.3,-71.14,;15.98,-70.35,;16,-68.81,;17.34,-68.07,;18.67,-68.84,;18.65,-70.38,;17.35,-66.53,;18.69,-65.77,;18.7,-64.24,;17.39,-63.47,;17.4,-61.93,;18.73,-61.16,;18.72,-59.63,;20.05,-58.85,;21.39,-59.62,;22.86,-59.14,;23.49,-57.74,;25.02,-57.58,;25.93,-58.83,;25.3,-60.24,;23.77,-60.39,;22.86,-61.64,;23.33,-63.11,;24.84,-63.42,;25.31,-64.9,;24.27,-66.04,;24.74,-67.5,;22.76,-65.71,;22.3,-64.25,;21.39,-61.16,;20.07,-61.93,;16.05,-64.22,;16.03,-65.75,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCN(CC3)C(=O)CO)nc12 |r,wU:4.7,wD:1.0,(38.73,-67.78,;38.26,-66.31,;39.3,-65.17,;38.83,-63.7,;37.32,-63.38,;36.29,-64.52,;36.76,-65.98,;36.85,-61.92,;37.76,-60.67,;39.29,-60.51,;39.92,-59.1,;39.01,-57.85,;37.48,-58.01,;36.86,-59.41,;35.39,-59.89,;34.04,-59.12,;32.71,-59.9,;32.73,-61.43,;31.4,-62.21,;31.38,-63.74,;32.69,-64.51,;32.68,-66.04,;31.35,-66.8,;30.03,-66.02,;30.04,-64.49,;31.33,-68.34,;29.99,-69.09,;29.97,-70.62,;31.3,-71.41,;32.64,-70.65,;32.66,-69.11,;31.28,-72.95,;29.93,-73.7,;32.6,-73.73,;33.94,-72.98,;34.06,-62.2,;35.38,-61.43,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CS(C)(=O)=O)CC3)nc12 |r,wU:4.7,wD:1.0,(9.65,-57.17,;9.18,-55.71,;10.22,-54.56,;9.75,-53.09,;8.24,-52.78,;7.21,-53.92,;7.68,-55.38,;7.77,-51.31,;8.68,-50.06,;10.21,-49.91,;10.84,-48.5,;9.93,-47.25,;8.4,-47.41,;7.78,-48.81,;6.31,-49.28,;4.96,-48.52,;3.64,-49.3,;3.65,-50.83,;2.32,-51.6,;2.3,-53.14,;3.62,-53.91,;3.61,-55.44,;2.27,-56.2,;.95,-55.42,;.97,-53.89,;2.26,-57.75,;.92,-58.5,;.9,-60.03,;2.23,-60.82,;2.21,-62.36,;3.53,-63.15,;4.87,-62.4,;2.75,-64.47,;4.29,-64.47,;3.57,-60.07,;3.59,-58.52,;4.98,-51.6,;6.3,-50.83,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC4(CCS(=O)(=O)C4)CC3)nc12 |r,wU:4.7,wD:1.0,(21.52,-57.68,;21.05,-56.21,;22.09,-55.07,;21.62,-53.6,;20.11,-53.29,;19.08,-54.43,;19.55,-55.88,;19.64,-51.83,;20.55,-50.58,;22.08,-50.42,;22.71,-49.01,;21.8,-47.76,;20.27,-47.93,;19.65,-49.33,;18.18,-49.8,;16.83,-49.03,;15.51,-49.81,;15.52,-51.34,;14.19,-52.11,;14.18,-53.65,;15.49,-54.42,;15.48,-55.94,;14.14,-56.7,;12.82,-55.92,;12.84,-54.39,;14.13,-58.23,;12.79,-58.99,;12.77,-60.52,;14.09,-61.31,;12.83,-62.2,;13.28,-63.67,;14.83,-63.7,;14.81,-65.24,;16.31,-64.09,;15.33,-62.24,;15.44,-60.55,;15.46,-59.01,;16.85,-52.11,;18.17,-51.34,)|

C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC4(CCC(=O)N4)CC3)nc12 |r,wU:4.7,wD:1.0,(34.23,-57.43,;33.76,-55.97,;34.8,-54.83,;34.33,-53.35,;32.82,-53.04,;31.79,-54.18,;32.26,-55.64,;32.35,-51.57,;33.26,-50.32,;34.79,-50.17,;35.42,-48.76,;34.51,-47.51,;32.98,-47.67,;32.36,-49.07,;30.88,-49.55,;29.54,-48.78,;28.21,-49.56,;28.23,-51.09,;26.89,-51.86,;26.88,-53.4,;28.19,-54.17,;28.18,-55.7,;26.84,-56.46,;25.52,-55.68,;25.54,-54.15,;26.83,-57.99,;25.49,-58.74,;25.47,-60.28,;26.8,-61.07,;25.55,-61.97,;26.03,-63.44,;27.57,-63.44,;28.47,-64.69,;28.04,-61.97,;28.14,-60.31,;28.16,-58.77,;29.56,-51.86,;30.88,-51.09,)|

COc1nc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)ccc1N1CCC2(CCC(=O)N2)CC1 |r,wU:17.17,wD:20.21,(36.2,-55.73,;37.53,-56.52,;38.87,-55.76,;38.89,-54.23,;40.23,-53.48,;40.24,-51.95,;41.57,-51.18,;41.56,-49.64,;42.89,-48.87,;44.23,-49.63,;45.7,-49.16,;46.33,-47.76,;47.86,-47.59,;48.77,-48.84,;48.14,-50.25,;46.6,-50.41,;45.7,-51.66,;46.17,-53.12,;47.67,-53.44,;48.14,-54.91,;47.11,-56.05,;47.58,-57.52,;45.6,-55.72,;45.13,-54.26,;44.23,-51.18,;42.9,-51.95,;41.54,-54.25,;41.53,-55.78,;40.19,-56.54,;40.18,-58.07,;38.84,-58.83,;38.82,-60.36,;40.14,-61.15,;38.9,-62.06,;39.37,-63.52,;40.91,-63.52,;41.82,-64.77,;41.39,-62.06,;41.49,-60.4,;41.51,-58.85,)|

CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C

Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1

N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|

c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O

COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1

C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

Cl.CC1=CC(=O)N(Nc2nc(nc3scc(-c4ccc(OCCN5CCCCC5)cc4)c23)-c2cccs2)C1=O |t:1|

CC1=CC(=O)N(Nc2nc(nc3sccc23)-c2cccs2)C1=O |t:1|

CC1=CC(=O)N(Nc2nc(nc3scc(C)c23)-c2cccs2)C1=O |t:1|

CCOC(=O)Cc1csc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:18|

CC1=CC(=O)N(Nc2nc(nc3scc(-c4ccccc4)c23)-c2cccs2)C1=O |t:1|

CC1=CC(=O)N(Nc2nc(nc3scc(-c4cccc(O)c4)c23)-c2cccs2)C1=O |t:1|

CC1=CC(=O)N(Nc2nc(nc3scc(-c4ccc(O)cc4)c23)-c2cccs2)C1=O |t:1|

Cl.CC1=CC(=O)N(Nc2nc(nc3scc(-c4cccc(OCCN5CCCCC5)c4)c23)-c2cccs2)C1=O |t:1|

Cl.CC1=CC(=O)N(Nc2nc(nc3scc(-c4cccc(OCCN5CCOCC5)c4)c23)-c2cccs2)C1=O |t:1|

Cl.CN(C)CCOc1cccc(c1)-c1csc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:25|

Nc1ncnc2scc(-c3ccc4c(cccc4c3)C(=O)Nc3ccccc3)c12

CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1

COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C(F)(F)F)c(=O)cc4C)cc3F)ccnc2cc1OCCCN1CCOCC1

CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1

CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

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|

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)[N+]([O-])=O)c2cc1OC

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C#N)c2cc1OC

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)C)c2cc1OC

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Br)cc3)c2cc1OC

O=C(Nc1ccccc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1

FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1

CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O

O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1

CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C

COc1cc2c(Oc3ccc(NC(=O)c4nnn(c4C(F)(F)F)-c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1

Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O

COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|

COc1cc(O)c(C(=O)OCc2ccc(F)cc2)c(\C=C\CN2C(=O)C=CC2=O)c1 |c:26|

CC(C)OC(=O)c1c(O)cc(OCCN2CCOCC2)cc1CCCN1C(=O)C=CC1=O |c:30|

COc1cc(O)c(C(=O)OCc2ccc(Br)cc2)c(\C=C\CN2C(=O)C=CC2=O)c1 |c:26|

COc1cc(O)c(C(=O)OC(C)C)c(CCCN2C(=O)C=CC2=O)c1 |c:20|

CC(C)OC(=O)c1c(O)cc(OCCCN2CCOCC2)cc1\C=C\CN1C(=O)C=CC1=O |c:31|

COc1cc(OC(C)=O)c(C(=O)OC(C)C)c(\C=C\CN2C(=O)C=CC2=O)c1 |c:23|

COc1cc(O)c(C(=O)OC(C)C)c(\C=C\CN2C(=O)C=CC2=O)c1 |c:20|

COc1cc(O)c(C(=O)OCC2CCCCC2)c(\C=C\CN2C(=O)C=CC2=O)c1 |c:25|

COc1cc(O)c(C(=O)OC(C)C)c(\C=C\CNC(C)=O)c1

COc1cc(O)c(C(=O)OCC(C)c2ccccc2)c(\C=C\CN2C(=O)C=CC2=O)c1 |c:27|

CC(C)OC(=O)c1c(O)cc(OCCN2CCOCC2)cc1CCCNS(=O)(=O)C=C

CCN(CC)C\C=C\C(=O)NC\C=C\c1cc(OCCc2ccc(F)cc2)cc(O)c1C(=O)OC(C)C

COc1cc(O)c(C(=O)OC(C)C)c(\C=C\CNS(=O)(=O)C=C)c1

C\C=C\C(=O)NC\C=C\c1cc(OCCCN2CCOCC2)cc(O)c1C(=O)OC(C)C

CCN(CC)C\C=C\C(=O)NC\C=C\c1cc(OC)cc(O)c1C(=O)OC(C)C

CC(C)OC(=O)c1c(O)cc(OCCc2ccc(F)cc2)cc1\C=C\CNC(=O)C=C

CC(C)OC(=O)c1c(O)cc(OCCCN2CCOCC2)cc1\C=C\CNC(=O)C=C

COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1

CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F

O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1 |r,wU:1.0,wD:4.7,(50.22,-3.1,;51.55,-3.88,;52.88,-3.11,;54.21,-3.88,;54.21,-5.42,;52.88,-6.19,;51.55,-5.42,;55.54,-6.19,;56.88,-5.42,;56.88,-3.88,;58.21,-3.1,;59.54,-3.88,;61,-3.4,;61.91,-4.65,;61,-5.9,;61.76,-7.23,;60.97,-8.56,;61.73,-9.9,;63.27,-9.91,;64.05,-8.58,;65.59,-8.59,;66.35,-9.93,;67.89,-9.94,;65.57,-11.25,;67.03,-11.3,;63.29,-7.24,;59.54,-5.42,;58.21,-6.18,)|

O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1 |r,wU:1.0,wD:4.7,(12.63,-23.03,;13.97,-23.8,;15.3,-23.04,;16.63,-23.8,;16.63,-25.35,;15.3,-26.12,;13.97,-25.34,;17.96,-26.12,;19.3,-25.35,;19.3,-23.81,;20.63,-23.03,;21.95,-23.81,;23.42,-23.33,;24.33,-24.58,;23.42,-25.83,;24.18,-27.16,;23.39,-28.48,;24.15,-29.82,;25.69,-29.84,;26.47,-28.5,;25.71,-27.17,;28.01,-28.51,;28.77,-29.85,;28.79,-27.18,;29.55,-28.51,;21.95,-25.35,;20.63,-26.11,)|

CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1 |r,wU:4.3,wD:7.10,(51,-26.01,;51.77,-24.69,;50.23,-24.68,;51.78,-23.15,;53.11,-25.47,;54.44,-24.7,;55.77,-25.47,;55.77,-27.01,;54.44,-27.78,;53.11,-27.01,;57.1,-27.78,;58.44,-27.01,;58.44,-25.47,;59.76,-24.69,;61.09,-25.47,;62.56,-24.99,;63.46,-26.24,;62.56,-27.49,;63.31,-28.82,;62.53,-30.15,;63.28,-31.49,;64.82,-31.5,;65.61,-30.17,;64.85,-28.83,;67.15,-30.18,;67.91,-31.51,;67.92,-28.85,;68.68,-30.17,;61.09,-27.01,;59.76,-27.77,)|

CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1 |r,wU:4.3,wD:7.10,(.73,-52.37,;1.51,-51.04,;-.05,-51.03,;1.52,-49.51,;2.84,-51.82,;4.18,-51.06,;5.51,-51.82,;5.5,-53.37,;4.18,-54.14,;2.84,-53.36,;6.84,-54.14,;8.17,-53.37,;8.17,-51.83,;9.5,-51.05,;10.83,-51.83,;12.29,-51.35,;13.2,-52.6,;12.29,-53.84,;13.05,-55.17,;12.26,-56.5,;13.02,-57.84,;14.56,-57.86,;15.34,-56.52,;16.88,-56.53,;14.58,-55.19,;10.83,-53.37,;9.5,-54.13,)|

O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 |r|

O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2cn[nH]c2c1 |r|

O=C1Nc2ccccc2\C1=C\c1ccc2cn[nH]c2c1

COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1

CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cc1

Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)c(C)n1 |r|

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1 |r|

CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC(F)F)cc23)cc1 |r|

CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1 |r|

O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1

COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5)c(=O)c5ccccc45)cc3F)ccnc2cc1OCCCN1CCCC1

Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1

c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N

Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1

OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1

c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2

CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1

Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O

Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O

Fc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1

COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1

COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1

COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)cc1

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,)|

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,)|

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,)|

CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1

COc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C/c3cccs3)C(=O)Nc2c1

COc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C/c3ccccn3)C(=O)Nc2c1

COc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C/c3ccc(O)cc3)C(=O)Nc2c1

COc1ccc(cc1)C(=O)NC(=O)Nc1cccc2NC(=O)\C(=C/c3ccc[nH]3)c12

COc1ccc(cc1)C(=O)NC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1

COc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

O=C(NC(=O)c1ccccc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

Clc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

Clc1ccc(cc1Cl)C(=O)NC(=O)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

Fc1ccccc1C(=O)NC(=O)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

FC(F)(F)c1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

FC(F)(F)c1cc(ccc1Cl)C(=O)NC(=O)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

Cc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

COc1cc(OC)cc(c1)C(=O)NC(=O)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

CN(C)c1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

COc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C\c3[nH]c(C)c(C(O)=O)c3C)C(=O)Nc2c1

COc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C\c3[nH]c(C)cc3C)C(=O)Nc2c1

COc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C\c3[nH]c(C)c(c3C)-c3ccccc3)C(=O)Nc2c1

COc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C\c3ccc([nH]3)C(O)=O)C(=O)Nc2c1

COc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C\c3[nH]c(C)c(CC(O)=O)c3C)C(=O)Nc2c1

COc1ccc(cc1)C(=O)NC(=O)Nc1ccc2\C(=C\c3[nH]c(C)c(CCC(O)=O)c3C)C(=O)Nc2c1

COc1ccc(cc1)C(=O)NC(=O)Nc1cc2NC(=O)\C(=C/c3[nH]c(C)c(C(O)=O)c3C)c2cc1F

COc1ccc(cc1)C(=O)NC(=O)Nc1cc2NC(=O)\C(=C/c3[nH]c(C)c(CCC(O)=O)c3C)c2cc1F

COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)c(F)c1

COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(CCC(O)=O)c4C)C(=O)Nc3c2)c(F)c1

COc1ccc(C(=O)NC(=O)Nc2cc3NC(=O)\C(=C/c4[nH]c(C)c(C(O)=O)c4C)c3cc2F)c(F)c1

COc1ccc(C(=O)NC(=O)Nc2cc3NC(=O)\C(=C/c4[nH]c(C)c(CCC(O)=O)c4C)c3cc2F)c(F)c1

CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)NC(=O)c4ccc(OC)cc4F)ccc23)c1C

CCOC(=O)CCc1c(C)[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)NC(=O)c4ccc(OC)cc4F)ccc23)c1C

COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)N5CCN(C)CC5)c4C)C(=O)Nc3c2)c(F)c1

COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(CCC(=O)N5CCN(C)CC5)c4C)C(=O)Nc3c2)c(F)c1

COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)N5CCOCC5)c4C)C(=O)Nc3c2)c(F)c1

COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(CCC(=O)N5CCOCC5)c4C)C(=O)Nc3c2)c(F)c1

COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN(C)C)c4C)C(=O)Nc3c2)c(F)c1

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)NC(=O)c4ccc(OC)cc4F)ccc23)c1C

COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)c(F)c1

COc1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1 |t:13|

COC(=O)Cc1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1 |t:16|

CC1=CC(=O)N(Nc2nc(nc3sc(CO)c(C)c23)-c2cccs2)C1=O |t:1|

CC1=CC(=O)N(Nc2nc(nc3sc(C(N)=O)c(C)c23)-c2cccs2)C1=O |t:1|

CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(cc2)[N+]([O-])=O)-c2cccs2)C1=O |t:1|

CC1=CC(=O)N(Nc2nc(nc3sc(Cc4ccc(O)cc4)c(C)c23)-c2cccs2)C1=O |t:1|

CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2cccc(O)c2)-c2cccs2)C1=O |t:1|

CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(O)cc2)-c2cccs2)C1=O |t:1|

COc1ccc(cc1)-c1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1 |t:20|

COCc1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1 |t:14|

COC(=O)c1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1 |t:15|

CC1=CC(=O)N(Nc2nc(nc3scc(-c4ccccc4)c23)-c2ccc(N)cc2)C1=O |t:1|

Cl.C1CN(CCN1)c1nc(nc2scc(-c3cccs3)c12)-c1cccs1

CC1=CC(=O)N(Nc2nc(nc3scc(-c4cccs4)c23)-c2ccc(C)s2)C1=O |t:1|

CC1=CC(=O)N(Nc2nc(nc3scc(-c4cccs4)c23)-c2ccccc2)C1=O |t:1|

CC1=CC(=O)N(Nc2nc(nc3scc(-c4cccs4)c23)-c2cccs2)C1=O |t:1|

NNc1nc(nc2scc(-c3cccs3)c12)-c1cccs1

Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.34,-.85,;6.12,-.67,;5.04,-1.77,;3.68,-1.07,;3.89,.44,;5.4,.7,;2.26,-1.79,;2.13,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.36,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.58,3.76,;-2.94,3.04,;-2.99,1.5,;-1.68,.69,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.21,7.66,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.88,;3.52,6.58,;1.25,5.75,;-.25,6.14,)|

[H][C@]1(C(O)CO)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:12.14,1.0,TLB:2:1:8.7:10.11,THB:13:12:8.7:10.11,(-.64,1.55,;.13,.87,;1.58,1.51,;2.6,.82,;1.69,3.04,;2.79,3.59,;1.39,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.68,-3.13,;-6.25,-1.7,;-5.3,-.49,;-5.76,.65,;-3.58,-4.78,;-4.4,-6.04,;-3.43,-7.23,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.28,;-.83,-4.26,;-2.1,-5.13,)|

CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|

Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.33,-.85,;6.11,-.67,;5.4,.7,;3.88,.44,;3.68,-1.07,;5.04,-1.77,;2.26,-1.79,;2.12,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.35,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.2,7.65,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.87,;3.52,6.58,;1.24,5.75,;-.25,6.13,)|

Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.52,4.21,;2.78,5.56,;1.27,5.27,;1.1,3.76,;2.47,3.09,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

[H][C@]1(C(C)O)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:11.13,1.0,TLB:2:1:7.6:9.10,THB:12:11:7.6:9.10,(-.64,1.54,;.13,.87,;1.58,1.51,;1.76,2.72,;2.54,.74,;1.38,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.67,-3.13,;-6.25,-1.7,;-5.29,-.49,;-5.75,.65,;-3.58,-4.78,;-4.4,-6.03,;-3.42,-7.22,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.27,;-.83,-4.26,;-2.1,-5.13,)|

CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(3.45,3.56,;2.38,2.95,;1.05,3.73,;1.06,4.97,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)|

Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:14.16,wD:7.6,(3.73,4.94,;3.72,3.71,;4.78,3.08,;2.38,2.95,;1.05,3.73,;1.06,4.97,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.05,3.73,;2.38,2.95,;2.5,1.43,;4,1.09,;4.49,-.04,;4.79,2.42,;3.77,3.57,;4.03,4.78,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|

OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.15,wD:6.5,(3.73,4.94,;3.72,3.71,;4.79,4.32,;4.78,3.08,;2.38,2.95,;1.05,3.73,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;2.12,4.34,;1.93,3.21,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|

Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.1,3.76,;2.47,3.09,;3.52,4.21,;2.78,5.56,;1.27,5.27,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|

NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|

OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(15.61,-25.66,;14.11,-26.02,;13.05,-24.9,;13.67,-27.49,;14.73,-28.62,;14.29,-30.09,;12.8,-30.45,;11.74,-29.34,;12.83,-28.23,;13.22,-29.72,;12.18,-27.86,;11.12,-26.75,;9.63,-27.1,;9.19,-28.58,;7.69,-28.94,;6.63,-27.82,;7.06,-26.35,;8.56,-25.99,;9,-24.51,;7.25,-30.41,;8.2,-31.63,;7.32,-32.91,;5.84,-32.47,;4.53,-33.27,;3.18,-32.54,;3.14,-31,;1.79,-30.27,;4.45,-30.19,;5.8,-30.93,)|

FC(F)(F)c1cc(NC(=O)Nc2ccc3Oc4ncnc(Cl)c4NCc3c2)ccc1Cl

FC(F)(F)c1cc(NC(=O)Nc2ccc3Oc4ncnc(Cl)c4N=Cc3c2)ccc1Cl |c:24|

FC(F)(F)c1cc(NC(=O)Nc2ccc3Oc4nc(Cl)ncc4NCc3c2)ccc1Cl

Fc1ccc(cc1)-c1cnc2ccccn12

N#CCc1ccc(cc1)-c1cnc2cc(ccn12)-c1cccs1

Fc1ccc(cc1)-c1cnc2cc(ccn12)-c1cccs1

Fc1ccc(cc1C#N)-c1cnc2cc(ccn12)-c1ccco1

N#CCc1ccc(cc1)-c1cnc2cc(ccn12)-c1ccco1

Cc1ccc(cc1)-c1cnc2cc(ccn12)-c1ccco1

Fc1ccc(cc1)-c1cnc2cc(ccn12)-c1ccco1

Fc1ccc(cc1C#N)-c1cnc2cc(ccn12)-c1ccccc1

N#CCc1ccc(cc1)-c1cnc2cc(ccn12)-c1ccccc1

Cc1ccc(cc1)-c1cnc2cc(ccn12)-c1ccccc1

Fc1ccc(cc1)-c1cnc2cc(ccn12)-c1ccccc1

COc1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(CC#N)cc1

COc1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(C)cc1

COc1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(F)cc1

CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|

c1ccc(cc1)NC(=O)CCCCCCC(=O)NO

ONC(=O)CCCCCCCC(=O)N1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:15|

ONC(=O)CCCCCCC(=O)N1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:14|

ONC(=O)CCCCC(=O)N1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:12|

ONC(=O)CCCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:12|

ONC(=O)CCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:11|

ONC(=O)CCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:10|

ONC(=O)CCCCCCC(=O)N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:14|

ONC(=O)CCCCC(=O)N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:12|

ONC(=O)CCCCCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:12|

ONC(=O)CCCCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:11|

ONC(=O)CCCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:10|

COc1cc(cc(OC)c1OC)-c1cnc2c(snc2c1)N1CCOCC1

CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1

CN1CCN(CCCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1

CN1CCN(CC1)c1ccc(NC(=O)c2cc(c[nH]c2=O)-c2ccc3OCOc3c2)cc1

CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1

CC(C)(C)c1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(N)=O

CC(C)c1ccc(\C=C\C(=O)Nc2sc3CCCCc3c2C(N)=O)cc1

COc1ccc(OCC(=O)Nc2sc3CCCCc3c2C(N)=O)cc1

CC(=O)Nc1sc2CCCCc2c1C(N)=O

COc1ccc(cc1OC)C(=O)Nc1sc(C)c(C)c1C(N)=O

COc1ccc(cc1OC)C(=O)Nc1sccc1C(N)=O

Cc1ccc(\C=C\C(=O)Nc2sc3CCCCc3c2C(N)=O)o1

NC(=O)c1c(NC(=O)c2ccncc2)sc2CCCCc12

COc1ccc(cc1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O

COc1ccc(cc1OC)C(=O)Nc1sc2CCCCCc2c1C(N)=O

NC(=O)c1c(NC(=O)c2ccccc2)sc2CCCCc12

NC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2CCCCc12

Cc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(N)=O

NC(=O)c1c(NC(=O)CSc2ccccc2)sc2CCCCc12

COc1ccc(CCC(=O)Nc2sc3CCCCc3c2C(N)=O)cc1

NC(=O)c1c(NC(=O)\C=C\c2ccco2)sc2CCCCc12

COc1cc(OC)cc(c1)C(=O)Nc1sc2CCCCc2c1C(N)=O

NC(=O)c1c(NC(=O)c2ccc3OCOc3c2)sc2CCCCc12

NC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2CCCCc12

NC(=O)c1c(NC(=O)COc2ccccc2)sc2CCCCc12

COc1ccc(\C=C\C(=O)Nc2sc3CCCCc3c2C(N)=O)cc1OC

NC(=O)c1c(NC(=O)c2ccc(cc2)-c2ccccc2)sc2CCCCc12

CCC(=O)Nc1sc2CCCCc2c1C(N)=O

NC(=O)c1c(NC(=O)C2CCCCC2)sc2CCCCc12

NC(=O)c1c(NC(=O)\C=C\c2ccccc2)sc2CCCCc12

NC(=O)c1c(NC(=O)Cc2ccccc2)sc2CCCCc12

COc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(N)=O

CC(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(N)=O

Cc1ccccc1C(=O)Nc1sc2CCCCc2c1C(N)=O

NC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2CCCCc12

Cc1cccc(c1)C(=O)Nc1sc2CCCCc2c1C(N)=O

COc1ccccc1C(=O)Nc1sc2CCCCc2c1C(N)=O

COc1ccc(cc1OC)C(=O)Nc1sc2CCCCCCc2c1C(N)=O

COc1cccc(c1)C(=O)Nc1sc2CCCCc2c1C(N)=O

NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2CCCCc12

NC(=O)c1c(NC(=O)CCc2ccccc2)sc2CCCCc12

NC(=O)c1c(NC(=O)c2ccco2)sc2CCCCc12

Cc1ccc(cc1C)C(=O)Nc1sc2CCCCc2c1C(N)=O

NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2CCCCc12

CC(C)C(=O)Nc1sc2CCCCc2c1C(N)=O

COc1ccc(cc1OC)C(=O)Nc1sc2CCCc2c1C(N)=O

COc1ccc(\C=C\C(=O)Nc2sc3CCCCc3c2C(N)=O)cc1

C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1

NC(=O)c1c(NC(=O)c2cccnc2)sc2CCCCc12

NC(=O)c1c(NC(=O)c2ccccn2)sc2CCCCc12

COc1cc(cc(OC)c1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O

c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cccc(F)c2[nH]1

COc1cccc2[nH]c(cc12)C(=O)c1cc2ccccc2[nH]1

COc1cccc2cc([nH]c12)C(=O)c1cc2cc(O)ccc2[nH]1

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(O)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(Cl)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(F)ccc2[nH]1

Fc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1

COc1ccc2[nH]c(Cc3cc4cc(F)ccc4[nH]3)cc2c1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(Cl)cc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(F)cc2[nH]1

Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1

O=C(c1cc2ccccc2[nH]1)c1cc2cc(Oc3ccccc3)ccc2[nH]1

Fc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1

Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(F)ccc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Cl)cccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(Br)ccc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(F)cc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Br)cccc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(F)cccc2[nH]1

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1

CCc1cccc2cc([nH]c12)C(=O)c1cc2cc(O)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Cl)cccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(F)cccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(C)cccc2[nH]1

Fc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1

Cc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1

Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1

COc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1

Cc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(O)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(C)ccc2[nH]1

Cc1cc2ncc(nc2cc1C)-c1ccccc1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1

COc1ccc2[nH]c(Cc3cc4ccccc4[nH]3)cc2c1

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(C)cc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cccc(Cl)c2[nH]1

COc1ccc2cc([nH]c2c1)C(=O)c1cc2ccccc2[nH]1

O=C(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(F)ccc2[nH]1

OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|

N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccccc3)nn12

COc1cc(cnc1Cl)N1CCc2nc(NC(=O)NCCc3cn(CC(F)F)cn3)sc2C1

COc1cncc(n1)N1CCc2nc(NC(=O)NCCc3cn(CC(F)F)cn3)sc2C1

CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1

Cc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)s2)no1

CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)c3ccccc3)cc2)nc(C)n1

CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)OCc3ccccc3)cc2)nc(C)n1

CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1

CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(on3)C3CC3)cc2)nc(C)n1

CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCC(N)C3)s2)no1

CCCCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1

CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1

CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(C)on3)cc2)nc(C)n1

Cc1nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(n1)N1CCNCC1

CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(C)n1

Cc1nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccccc3)cc2)cc(n1)N1CCC(N)CC1

CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1

CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|

CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|

Oc1ccc2cc(oc2c1)C(=O)c1cc2ccc(O)cc2o1

COc1cccc2oc(cc12)C(=O)c1cc2c(OC)cccc2o1

COc1cccc2cc(oc12)C(=O)c1cc2cccc(OC)c2o1

COc1ccc2oc(cc2c1)C(=O)c1cc2cc(OC)ccc2o1

CC(=O)Oc1ccc2oc(cc2c1)C(=O)c1cc2cc(OC(C)=O)ccc2o1

O=C(c1cc2ccccc2o1)c1cc2ccccc2o1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2o1

Oc1cccc2cc(oc12)C(=O)c1cc2cccc(O)c2o1

COc1ccc2cc(oc2c1)C(=O)c1cc2ccc(OC)cc2o1

O=C(c1cc2ccccc2[nH]1)c1cc2ccccc2o1

Nc1ccc2oc(cc2c1)C(=O)c1cc2cc(N)ccc2o1

Oc1ccc2oc(cc2c1)C(=O)c1cc2cc(O)ccc2o1

CCOc1cccc2n(C)cc(C=c3c(=O)[nH][nH]\c3=c3/snnc3=C)c12 |w:12.11|

COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1

Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(CN3CCOCC3)c3[nH]nc(N)c23)c1

Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12

Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3n(CCN4CCOCC4)nc(N)c23)c1

CN(C)CCOc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)n[nH]c12

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(F)c3[nH]nc(N)c23)c1

Nc1n[nH]c2cccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12

Cc1cc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)ccc1F

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(OCCN3CCOCC3)c3[nH]nc(N)c23)c1

COCCOc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)n[nH]c12

Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12

COc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)n[nH]c12

CCc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3n(CCO)nc(N)c23)c1

Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12

CN1CCN(Cc2ccc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)c3c(N)n[nH]c23)CC1

Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(O)c4)cc3)c12

Nc1n[nH]c2cccc(-c3ccc(N)cc3)c12

COCCn1nc(N)c2c(cccc12)-c1ccc(NC(=O)Nc2cc(C)ccc2F)cc1

Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc2[nH]nc(N)c12

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(Br)c3[nH]nc(N)c23)c1

Nc1n[nH]c2cccc(-c3ccc(NC(=O)c4ccccc4)cc3)c12

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3n(C)nc(N)c23)c1

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(OCCN3CCCC3)c3[nH]nc(N)c23)c1

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(OCCN3CCCC3=O)c3[nH]nc(N)c23)c1

Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12

Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)cc1

Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)cc1F

Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12

CCN(CC)CCOc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)n[nH]c12

Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12

Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4CCCCC4)cc3)c12

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12

COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|

COC(=O)C(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

COCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

COCCOCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

CN1CCN(CC(=O)Nc2cccc-3c2Cc2c-3n[nH]c2-c2csc(c2)C#CCOc2ccccc2)CC1

CCOC(=O)CC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1

Clc1ccc(cc1)-n1ncc2CC(=O)Nc3ccccc3-c12

CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl