1921 SMILES Strings for Alpha-1B adrenergic receptor

Compound Name
SMILES String
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)CCC2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)CCC1=O |(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.15,9.43,;-2.38,10.77,;-4.69,9.37,;-5.1,7.88,;-3.82,7.03,;-3.42,5.54,)|
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)C1
CC1(C)CC(=O)N(C2CCC(CC2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)C1 |(-6.78,6.79,;-5.69,7.88,;-6.78,8.97,;-4.97,9.24,;-3.43,9.3,;-2.66,10.63,;-2.62,7.99,;-1.08,7.99,;-.31,9.32,;1.23,9.32,;2,7.99,;1.23,6.65,;-.31,6.65,;3.54,7.99,;4.28,9.34,;5.82,9.39,;6.62,8.08,;5.89,6.72,;4.35,6.68,;8.16,8.08,;8.91,6.73,;10.45,6.7,;11.24,8.02,;10.5,9.37,;8.96,9.39,;11.29,10.68,;9.97,11.47,;12.06,12.02,;12.62,9.9,;-3.34,6.63,;-2.57,5.3,;-4.88,6.58,)|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)CCCC2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)CCCC1=O |(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.43,9.3,;-2.66,10.63,;-4.97,9.24,;-5.69,7.88,;-4.88,6.58,;-3.34,6.63,;-2.57,5.3,)|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3=C(CCCC3)C2=O)CC1 |t:22|
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2=C(CCCC2)C1=O |t:28,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-4.98,7.22,;-6.32,6.45,;-7.65,7.21,;-7.65,8.75,;-6.32,9.53,;-3.52,6.74,;-3.12,5.25,)|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3CC=CCC3C2=O)CC1 |c:24|
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2CC=CCC2C1=O |c:30,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-6.32,9.53,;-7.65,8.75,;-7.65,7.21,;-6.32,6.45,;-4.98,7.22,;-3.52,6.74,;-3.12,5.25,)|
CC1=C(C)C(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1|
CC1=C(C)C(=O)N(C2CCC(CC2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1,(-6.6,7.5,;-5.1,7.88,;-4.69,9.37,;-5.77,10.47,;-3.15,9.43,;-2.38,10.77,;-2.62,7.99,;-1.08,7.99,;-.31,9.32,;1.23,9.32,;2,7.99,;1.23,6.65,;-.31,6.65,;3.54,7.99,;4.28,9.34,;5.82,9.39,;6.62,8.08,;5.89,6.72,;4.35,6.68,;8.16,8.08,;8.91,6.73,;10.45,6.7,;11.24,8.02,;10.5,9.37,;8.96,9.39,;11.29,10.68,;9.97,11.47,;12.06,12.02,;12.62,9.9,;-3.82,7.03,;-3.82,5.49,)|
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
CNCC(O)c1ccc(O)c(O)c1
O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
COc1ccc(OC)c(c1)C(O)C(C)N
NCC(O)c1ccc(O)c(O)c1
Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
C[NH2+]C[C@H](O)c1cccc(O)c1
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
CC(C)NCC(O)c1ccc(O)c(O)c1
COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
COC(=O)C1C(C(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:36,t:33|
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Clc1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1
OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
OCC(CN1Cc2cccc(F)c2C1)N1CCC(CC1)c1noc2cc(F)ccc12
OCC(CN1Cc2ccc(Cl)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
Cc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12
OCC(CN1Cc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1noc2cc(F)ccc12
COc1ccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
COc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12
OCC(CN1Cc2ccccc2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12
OCC(CN1CCc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
CCCCCCOc1c(nsn1)C2=CCCN(C2)C
Fc1cccc2OC3CNCC3Oc12
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCCC2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Cc1cccc(c1C)[C@@H](C)c2cnc[nH]2
NC1=NC2(CO1)CCc1ccccc1C2 |t:1|
C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
COc1cccc2OCC3CN(CCCCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)CC3c12
CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
CCCNC1CCc2nc(N)sc2C1
CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
CCCN(CCC)CCc1cccc2NC(=O)Cc12
Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
Nc1nc2CCN(CC=C)CCc2s1
CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
C[NH+](C)C1CCc2cc(O)c(O)cc2C1
CNCCC(Oc1ccccc1C)c1ccccc1
NC(CSSCC(N)C(O)=O)C(O)=O
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
CSCC[C@H](C(=O)O)N
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
C(CS)[C@@H](C(=O)O)N
C([C@H](C(=O)O)N)S(=O)(=O)O
C([C@@H](C(=O)O)N)S
NC(CS(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCSC1=O |r|
C[C@@H](Cc1ccc2c(c1)OCO2)NC
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
COc1ccc(NC(=O)NC2CCC(CC2)N2CCN(CC2)c2ccccc2OC(C)C)c(OC)c1 |(-29.34,-4.62,;-29.34,-3.08,;-28.01,-2.31,;-28.01,-.77,;-26.67,,;-25.34,-.77,;-24.01,,;-22.67,-.77,;-21.34,,;-22.67,-2.31,;-21.34,-3.08,;-21.34,-4.62,;-20.01,-5.39,;-18.67,-4.62,;-18.67,-3.08,;-20.01,-2.31,;-17.34,-5.39,;-17.34,-6.93,;-16,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-16,-4.62,;-13.34,-7.7,;-13.34,-9.24,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-6.93,;-12,-5.39,;-10.67,-4.62,;-10.67,-3.08,;-9.34,-5.39,;-25.34,-2.31,;-24.01,-3.08,;-24.01,-4.62,;-26.67,-3.08,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1cc(F)ccc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-29.34,,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(Cl)cccc1Cl |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-26.67,1.54,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(F)cccc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-26.67,1.54,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccccc1Cl |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-25.34,-2.31,;-26.67,-3.08,;-28.01,-2.31,;-28.01,-.77,;-26.67,,;-26.67,1.54,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)c(F)c1 |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-26.67,-4.62,;-25.34,-2.31,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1cccc(Cl)c1 |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-26.67,-4.62,;-25.34,-2.31,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)NCc1cccc(F)c1 |(5.33,-12.32,;5.33,-13.86,;6.67,-14.63,;4,-14.63,;4,-16.17,;5.33,-16.94,;5.33,-18.48,;4,-19.25,;2.67,-18.48,;2.67,-16.94,;1.33,-16.17,;,-16.94,;-1.33,-16.17,;-1.33,-14.63,;,-13.86,;1.33,-14.63,;-2.67,-13.86,;-4,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-4,-11.55,;-2.67,-12.32,;-6.67,-11.55,;-8,-12.32,;-8,-13.86,;-9.34,-11.55,;-10.67,-12.32,;-12,-11.55,;-12,-10.01,;-13.34,-9.24,;-14.67,-10.01,;-14.67,-11.55,;-16,-12.32,;-13.34,-12.32,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(Cl)cc(Cl)cc1Cl |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-26.67,1.54,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
COc1ccccc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C |(-25.34,2.31,;-26.67,1.54,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,,;-22.67,-.77,;-21.34,,;-22.67,-2.31,;-21.34,-3.08,;-21.34,-4.62,;-20.01,-5.39,;-18.67,-4.62,;-18.67,-3.08,;-20.01,-2.31,;-17.34,-5.39,;-17.34,-6.93,;-16,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-16,-4.62,;-13.34,-7.7,;-13.34,-9.24,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-6.93,;-12,-5.39,;-10.67,-4.62,;-10.67,-3.08,;-9.34,-5.39,)|
COc1ccc(Cl)cc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C |(-24.01,-4.62,;-24.01,-3.08,;-25.34,-2.31,;-26.67,-3.08,;-28.01,-2.31,;-28.01,-.77,;-29.34,,;-26.67,,;-25.34,-.77,;-24.01,,;-22.67,-.77,;-21.34,,;-22.67,-2.31,;-21.34,-3.08,;-21.34,-4.62,;-20.01,-5.39,;-18.67,-4.62,;-18.67,-3.08,;-20.01,-2.31,;-17.34,-5.39,;-17.34,-6.93,;-16,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-16,-4.62,;-13.34,-7.7,;-13.34,-9.24,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-6.93,;-12,-5.39,;-10.67,-4.62,;-10.67,-3.08,;-9.34,-5.39,)|
CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(c1)S(N)(=O)=O
C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12 |r|
Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
COc1cc(CC(C)N)c(OC)cc1Br
CC(N)Cc1ccc2OCOc2c1
CNC(C)Cc1ccc2c(c1)OCO2
COc1cc(cc(c1OC)OC)CCN
COc1cc(CCN)c(OC)cc1Br
CN(C)CCc1c[nH]c2c1cccc2
CN(C)CCc1c[nH]c2c1c(ccc2)O
CN(C)CCc1c[nH]c2c1cc(cc2)OC
CCc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CC(C)N)cc1OC
CCOc1cc(OC)c(CC(C)N)cc1OC
COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
CC(C)N(CCc1c[nH]c2ccccc12)C(C)C
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
CCCN(CCC)CCc1c[nH]c2ccccc12
CCSc1cc(OC)c(CC(N)CC)cc1OC
CN(C)CCc1c[nH]c2cc(F)ccc12
CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
NCCc1c2CCOc2c(Br)c2CCOc12
COc1cc(CC(C)N)c(OC)cc1C
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(OC)c(OC)cc1CC(C)N
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
C[C@@H]1C[C@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
CCCN(CCC)C1CCc2cccc(O)c2C1
Oc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
[O-][N+](=O)c1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Cc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Clc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
COCOc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
C(COc1ccccn1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O
O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12 |r|
[H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)c1ccco1)c1nc(N)c2cc(OC)c(OC)cc2n1
[H][C@]12CCCC[C@@]1([H])N(CCN2C(=O)OCc1ccccc1)c1nc(N)c2cc(OC)c(OC)cc2n1 |r|
[H][C@]12CCCC[C@@]1([H])N(CCN2C(C)=O)c1nc(N)c2cc(OC)c(OC)cc2n1 |r|
[H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)OCc1ccccc1)c1nc(N)c2cc(OC)c(OC)cc2n1 |r|
COc1cc2c(cc1OC)nc(nc2N)N3CCN([C@@H]4[C@H]3CCCC4)C(=O)c5ccco5
[H][C@]12CCCC[C@@]1([H])N(CCN2C(=O)Cc1ccc2ccccc2c1)c1nc(N)c2cc(OC)c(OC)cc2n1 |r|
[H][C@]12CCCC[C@@]1([H])N(CCN2C(=O)COc1c(OC)cccc1C(C)C)c1nc(N)c2cc(OC)c(OC)cc2n1 |r|
[H][C@]12CCCC[C@@]1([H])N(CCN2C(=O)C(C)(C)C)c1nc(N)c2cc(OC)c(OC)cc2n1 |r|
[H][C@]12CCCC[C@@]1([H])N(CCN2C(=O)CCCCC)c1nc(N)c2cc(OC)c(OC)cc2n1 |r|
[H][C@]12CCCC[C@@]1([H])N(CCN2C(=O)c1ccco1)c1nc(N(CCC)CCC)c2cc(OC)c(OC)cc2n1 |r|
[H][C@@]12CCCC[C@]1([H])N(CCN2C(C)=O)c1nc(N)c2cc(OC)c(OC)cc2n1 |r|
[H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)c1ccco1)c1nc(N(CCC)CCC)c2cc(OC)c(OC)cc2n1 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C1COc2ccccc2O1 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC1=CC(=O)c2ccccc2C1=O |r,t:25|
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)[C@@H]1COc2ccccc2O1 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](N)C1 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@@H]1COc2ccccc2O1 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)[C@H]1COc2ccccc2O1 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)c1ccco1 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)c1ccco1 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](N)C1 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC1=CC(=O)c2ccccc2C1=O |r,t:25|
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@H]1COc2ccccc2O1 |r|
CC(=C)CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1
CC(NCCOc1cc(F)ccc1Cl)c1ccccc1S(C)(=O)=O
CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl
Fc1ccc(Cl)c(OCCNCc2cccc(Cl)c2)c1
CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl
CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl
Fc1ccc(Cl)c(OCCNC2CS(=O)(=O)c3ccccc23)c1
CNc1ccc2c(c1)[C@@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F
CNc1ccc2c(c1)[C@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F
CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N
Fc1ccc(Cl)c(OCCNC2CCS(=O)(=O)c3ccccc23)c1
CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl
CNc1ccc2c(c1)C(CCS2(=O)=O)NCCOc1cc(F)ccc1F
Clc1cccc(c1)N1CCN(CCc2ccc(COc3ccc4CCCCc4c3)cc2)CC1
COc1ccc(cc1)N1CCN(CCc2ccc(COc3ccc4CCCCc4c3)cc2)CC1
Cc1cccc(c1)N1CCN(CCc2ccc(COc3ccc4CCCCc4c3)cc2)CC1
Fc1ccc(cc1)N1CCN(CCc2ccc(COc3ccc4CCCCc4c3)cc2)CC1
C(Cc1ccc(COc2ccc3CCCCc3c2)cc1)N1CCC(CC1)c1ccccc1
c1cc(c(cc1[C@H](CN)O)O)O
CS(=O)(=O)Nc1c(ccc2c1CCC[C@@H]2C3=NCCN3)O
CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
CNC[C@H](O)c1cccc(O)c1 |r|
[H][C@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19|
COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
OC(CC=N)CC1CCN(CC1)c1ccccc1Oc1ccccc1
CO\C(O)=C1\C(C(C(=O)NCCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:37,t:34|
CC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc2OCOc2c1)C(O)=O |t:1,31|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)C#N |c:36,t:33|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)cc1 |c:36,t:33|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(c(OC)c1)[N+]([O-])=O |c:36,t:33|
CC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:3,8|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc2OCOc2c1 |c:36,t:33|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)c(c1)[N+]([O-])=O |c:29,t:26|
CO\C(O)=C1\C(C(C(=O)N(C)CCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:37,t:34|
CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
CNC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|
CCC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(CC)N1)c1ccc(cc1)[N+]([O-])=O)C(N)=O |t:2,32|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(C)cc1 |c:36,t:33|
CC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc2OCOc2c1)C(N)=O |t:1,31|
CO\C(O)=C1\C(C(C(=O)NCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:35,t:32|
CN(C)C(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:5,10|
CC1=C(C#N)C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc(cc1)[N+]([O-])=O |c:1,t:33|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(OC)cc1 |c:36,t:33|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)c(Cl)c1 |c:36,t:33|
CC(=O)C1=C(C)NC(C)=C(C1c1ccc2OCOc2c1)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:3,8|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc2ccccc2c1 |c:36,t:33|
CC(C)C1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(N1)C(C)C)c1ccc(cc1)[N+]([O-])=O)C(N)=O |c:33,t:3|
COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
CNC(=O)C1=C(C)NC(C)=C(C1c1ccc2OCOc2c1)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:29,t:26|
COc1cccc(OC)c1OCCNCC1Oc2ccccc2CC1c1ccccc1
COc1cccc(OC)c1OCCNCC1C(Cc2ccccc2C1=O)c1ccccc1
COc1cccc(OC)c1OCCNCC1=Cc2ccccc2OC1c1ccccc1 |t:16|
COc1cccc(OC)c1OCCNCC1C(Sc2ccccc2C1=O)c1ccccc1
COc1cccc(OC)c1OCCNCC1C(Oc2ccccc2C1=O)c1ccccc1
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
O[C@@H]1[C@@H](CC[C@H]1Oc1ccccc1)NC[C@H]1COc2ccccc2O1
O[C@H]1[C@H](CC[C@@H]1Oc1ccccc1)NC[C@H]1COc2ccccc2O1
O[C@@H]1[C@@H](CC[C@H]1Oc1ccccc1)NC[C@@H]1COc2ccccc2O1
O[C@H]1[C@H](CC[C@@H]1Oc1ccccc1)NC[C@@H]1COc2ccccc2O1
C[S+]([O-])c1ccccc1NCC1=NCCN1
CSc1c(F)cccc1NCC1=NCCN1 |t:12|
COc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:9|
CSc1ccc(Cl)cc1NCC1=NCCN1 |t:12|
CSc1ccc(C)cc1NCC1=NCCN1 |t:12|
CSc1ccc(F)cc1NCC1=NCCN1 |t:12|
CCS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:14|
CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 |t:14|
CCSc1ccccc1NCC1=NCCN1
COc1ccc(SC)c(NCC2=NCCN2)c1 |t:11|
CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 |t:15|
CS(=O)(=O)Nc1ccc(F)c(c1)[C@@H](O)CN
CC(C)Sc1ccccc1NCC1=NCCN1
CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 |t:14|
CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 |t:14|
CSc1cc(F)ccc1NCC1=NCCN1 |t:12|
CSc1ccc(cc1NCC1=NCCN1)C(F)(F)F |t:11|
CS(=O)(=O)c1ccc(cc1NCC1=NCCN1)C(F)(F)F |t:13|
Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8|
CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 |t:14|
O=S1(=O)CCCc2cccc(NCC3=NCCN3)c12 |t:13|
CSc1ccccc1NCC1=NCCN1 |t:11|
CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 |t:14|
CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 |t:14|
CCCS(=O)(=O)c1ccccc1NCC1=NCCN1
COc1cc2nc3CC(CNC(=O)c4ccccc4C(F)(F)F)CCc3c(N)c2cc1OC
COc1cc2nc3CC(CNC(=O)c4ccco4)CCc3c(N)c2cc1OC
COc1cc2nc3CC(CNC(=O)c4ccco4)Cc3c(N)c2cc1OC
COc1cc2nc3CC(CNCCOc4c(OC)cccc4OC)CCc3c(O)c2cc1OC
COc1cc2nc3CC(CNC(=O)c4ccco4)CCc3c(O)c2cc1OC
COc1cc2nc3CC(CNC(=O)c4cccc(c4)C(F)(F)F)CCc3c(N)c2cc1OC
COc1cc2nc3CC(CNC(=O)c4ccc(cc4)C(F)(F)F)CCc3c(N)c2cc1OC
COc1cc2nc3CC(CNCCOc4c(OC)cccc4OC)CCc3c(N)c2cc1OC
CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
CS(=O)(=O)Nc1cccc2C(CCCCc12)c1c[nH]cn1
CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
CN(c1cccc2C(CCCc12)c1c[nH]cn1)S(C)(=O)=O
COc1ccc(NS(C)(=O)=O)c2CCCC(c3c[nH]cn3)c12
CCS(=O)(=O)Nc1cccc2C(CN)CCCc12
CS(=O)(=O)Nc1cccc2C(=CCCc12)c1c[nH]cn1 |c:10|
CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C
CCS(=O)(=O)Nc1cccc2c1CCCC2(O)c1c[nH]cn1
Oc1cccc2C(CCCc12)c1c[nH]cn1
Cc1ccc(NS(C)(=O)=O)c2CCCC(c3c[nH]cn3)c12
CCCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
CC(N)C(O)c1ccccc1
CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)c1c[nH]cn1
CCS(=O)(=O)Nc1cc(cc2C(CCCc12)c1c[nH]cn1)C1CCCCC1
COc1ccc(OC)c(c1)C(O)CN
CC(c1c[nH]cn1)c1cccc(NS(C)(=O)=O)c1
CCS(=O)(=O)Nc1cccc2C(CCSc12)c1c[nH]cn1
COc1ccc2C(CCCc2c1NS(C)(=O)=O)c1c[nH]cn1
CS(=O)(=O)Nc1cccc2C(CCOc12)c1c[nH]cn1
CCS(=O)(=O)Nc1cccc2C(CCc12)c1c[nH]cn1
CCS(=O)(=O)Nc1cc(F)cc2C(CCCc12)c1c[nH]cn1
CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]c(C)n1
CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
Cn1cncc1C1CCCc2c(NS(C)(=O)=O)cccc12
COC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
CS(=O)(=O)Nc1ccc(Cl)c2C(CCCc12)c1c[nH]cn1
O=S(=O)(Nc1cccc2C(CCCc12)c1c[nH]cn1)C1CC1
CCS(=O)(=O)Nc1ccc2CCCC(c3c[nH]cn3)c2c1
CS(=O)(=O)Nc1ccc(F)c2C(CCCc12)c1c[nH]cn1
CCS(=O)(=O)Nc1cccc(CC2CN=CN2)c1 |c:14|
CCS(=O)(=O)Nc1cccc(c1)C1CCNC1
CCS(=O)(=O)Nc1cccc(NC2=NCCN2)c1 |t:12|
CS(=O)(=O)Nc1ccc(O)c2C(CCCc12)c1c[nH]cn1
O=S(=O)(Nc1cccc2C(CCCc12)c1c[nH]cn1)c1ccc2ccccc2c1
CN(C)S(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
CCS(=O)(=O)Nc1cc(Cl)cc2C(CCCc12)c1c[nH]cn1
CCS(=O)(=O)Nc1cccc(Sc2c[nH]cn2)c1
CCS(=O)(=O)Nc1cccc(c1)S(=O)(=O)c1c[nH]cn1
CC(C)S(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
CCS(=O)(=O)Nc1cccc(c1)-c1c[nH]cn1
Nc1cccc2C(CCCc12)c1c[nH]cn1
CS(=O)(=O)Nc1cccc2[C@@H](CCCc12)c1c[nH]cn1 |r|
FC(F)(F)C(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
FC(F)(F)CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
CCS(=O)(=O)Nc1cccc2C(OCc12)c1c[nH]cn1
CCS(=O)(=O)Nc1cccc2C(CNC)CCCc12
Cn1cnc(c1)C1CCCc2c(NS(C)(=O)=O)cccc12
CS(=O)(=O)Nc1cccc2C(CCCc12)C1=NCCN1 |t:17|
CCS(=O)(=O)Nc1cccc(CC2CCCN2)c1
O=C(C=Cc1ccccc1)N(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)Cc1cccnc1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)C=Cc1ccccc1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(c1)[N+]([O-])=O
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(cc1)[N+]([O-])=O
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+]([O-])=O
COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1
COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1
COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4sc3c2=O)CC1
COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Cc1nc2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccc(Cl)c(Cl)c1
COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4sc3c2=O)CC1
COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c4ccccc4[nH]c3c2=O)CC1
Clc1ccc(cc1Cl)N1CCN(CCn2c(=O)[nH]c3c4ccccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc3c2O)CC1
Cn1c2ccccc2c2n(C)c(=O)n(CCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)c(=O)c12
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
NC(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:17|
COc1ccc2C(CCCc2c1NS(C)(=O)=O)C1=NCCN1 |t:19|
COC(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
CCCS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:20|
CCS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:19|
CCS(=O)(=O)Nc1cccc2[C@@H](CCCc12)c1c[nH]cn1 |r|
Oc1ccc2C(CCCc2c1NS(=O)(=O)C(F)(F)F)C1=NCCN1 |t:21|
CN(c1c(O)ccc2C(CCCc12)C1=NCCN1)S(C)(=O)=O |t:15|
Oc1ccc2C(CCCc2c1NS(=O)(=O)c1ccccc1)C1=NCCN1 |t:24|
COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)c1ccc(Br)o1
COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)c1ccc(o1)C(C)=O
COc1ccc(o1)C(=O)N1CCN([C@H]2CCCC[C@H]12)c1nc(N)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)c1ccco1 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)c1ccc(C)o1
COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Clc1ccc(cc1)-n1cc(CCCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(COCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CCCCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(COCCCN2CCN(CC2)c2ccccc2)cn1
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 |r|
COc1ccc2CCNc2c1OCCNC[C@H]1COc2ccccc2O1
COc1ccc2CCOc2c1OCCNC[C@@H]1COc2ccccc2O1
COc1ccc2CCNc2c1OCCNC[C@@H]1COc2ccccc2O1
COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1
COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1
COc1ccc2CCOc2c1OCCNC[C@H]1COc2ccccc2O1
Fc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Clc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Brc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3[N+]#[C-])cc2)C(=O)c2ccccc12
FC(F)(F)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Fc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1
O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccn3)cc2)C(=O)c2ccccc12
O=C1N(Cc2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2)C(=O)c2ccccc12
Cc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccc(cc3)C#N)cc2)C(=O)c2ccccc12
COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
CC(=O)c1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Clc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
FC(F)(F)c1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Fc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3)cc2)C(=O)c2ccccc12
COc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Fc1cc(ccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1)C#N
COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9|
COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1
COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1
COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
COc1cc2nc(nc(N)c2cc1OC)N1CCN[C@@H](C1)C(=O)NC(C)(C)C
COc1cc2nc(nc(N)c2cc1OC)N1CCN[C@H](C1)C(=O)NC(C)(C)C
COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1
COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
O=C1c2ccccc2CCC11CCN(Cc2ccccc2)CC1
O=S1c2ccccc2CCC11CCN(Cc2ccccc2)CC1
C(N1CCC2(CC1)CCc1ccccc1O2)c1ccccc1
C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1
O=S1(=O)c2ccccc2CCC11CCN(Cc2ccccc2)CC1
C(COc1ccccc1)NC[C@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
C(COc1ccccc1)NC[C@@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCC[C@@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC[C@@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1CCOC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1COC(OC1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1
C(COC(c1ccccc1)c1ccccc1)NCCOc1ccccc1
COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCC1CCOC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNC[C@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCC[C@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
COc1ccccc1OCCNC[C@@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCCC1COC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC[C@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1
CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
CC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:13,t:16|
CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:15,t:18|
CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(C)(CC1)c1ccccc1 |c:4,t:1|
CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1 |c:15,t:18|
CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:29,t:26|
CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCCCC1 |c:4,t:1|
CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)Oc1ccccc1)c1ccccc1 |c:4,t:1|
COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCC#N)CC1)c1ccccc1 |c:14,t:17|
CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(O)(CC1)c1ccccc1 |c:4,t:1|
COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(O)=O)CC1)c1ccccc1 |c:14,t:17|
COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:17|
COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
CN(C)C(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
CNC(=O)C1C(C(C(=O)NCCCN2CCC(CN(C)C)(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OCCO)c1ccccc1 |c:4,t:1|
CCOC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
COCCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:17,t:20|
CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1)c1ccccc1 |c:15,t:18|
COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCO)CC1)c1ccccc1 |c:14,t:17|
CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1 |c:4,t:1|
CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
COc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
Clc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Fc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Cc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
Fc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12
Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1
Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
O=C1N(CCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)c2ccccc12
[O-][N+](=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1
O=C1N(CCCCN2CCC(CC2)n2c3cc4CCCCc4cc3oc2=O)S(=O)(=O)c2ccccc12
Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1
[O-][N+](=O)c1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
COC(=O)c1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
O=C1N(CCCCN2CCC(CC2)n2c3ccccc3oc2=O)S(=O)(=O)c2ccccc12
COc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
CS(=O)(=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1
CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
COc1ccccc1OCC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)Oc1c(OC)cccc1C(C)C
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCC(=O)c1ccccc1
COc1cccc(OC)c1OCC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccco1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC(=O)c1ccccc1
[H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC
CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1
C(Cc1cccc2ccccc12)N1CCC2(CC1)CCc1ccccc1O2
O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc12
C(Cc1cccc2ccccc12)N1CCC2(CC1)Oc1ccccc1C=C2 |c:29|
O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc12
COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4ccccn4)CC3)Oc2c1
O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc12
CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4cccc5ccccc45)CC3)Oc2c1
Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc12
Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
O=C1c2ccccc2CC11CCN(CCc2cccc3ccccc23)CC1
C(COc1ccccc1)NC[C@H]1OCCO[C@H]1c1ccccc1 |r|
C(COc1ccccc1)NCC1(COCCO1)c1ccccc1
COc1ccccc1OCCNCC1(COCCO1)c1ccccc1
C(COc1ccccc1)NC[C@H]1OCCO[C@@H]1c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@H]1OCCO[C@@H]1c1ccccc1 |r|
C(COc1ccccc1)NCC1OCCOC1(c1ccccc1)c1ccccc1
COc1cccc(OC)c1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CC2(COCCO2)c2ccccc2)CC1
COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1 |r|
COc1cccc(OC)c1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNC[C@H]1OCCO[C@@H]1c1ccccc1 |r|
COc1ccccc1N1CCN(CC2COCC(O2)(c2ccccc2)c2ccccc2)CC1
C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(C[C@H]2OCCO[C@@H]2c2ccccc2)CC1 |r|
COc1cccc(OC)c1OCCNC[C@H]1OCCO[C@H]1c1ccccc1 |r|
COc1cccc(OC)c1OCCNCC1(COCCO1)c1ccccc1
COc1ccccc1OCCNC[C@H]1OCCO[C@H]1c1ccccc1 |r|
COc1ccccc1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(C[C@H]2OCCO[C@H]2c2ccccc2)CC1 |r|
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|
COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:4|
COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2cccc(F)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OC(=O)Cc1ccccc21 |c:4|
COCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc21 |c:4|
COC(=O)C1C(N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1 |c:32|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(C)cc1)c1ccccc1C |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)C(=O)Oc1ccccc21 |c:4|
COC(=O)C1C(N(CC(=O)NCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1 |c:33|
CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2|
CCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)N1CCC(CC1)N1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
CCC1=C(C(N(C(=O)NCCC(C)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2|
CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2F)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC)c1ccccc1 |c:4|
COCC1=C(C(N(C(=O)NCCCN2CCC(C)(CC2)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OC(=O)c1ccccc21 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OCCc1ccccc21 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(F)cc1)c1ccc(F)cc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(C)(CC1)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CCCc3ccccc23)CC1 |c:4|
CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
COCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1cc(F)c(F)c(F)c1)C(=O)OC |t:3|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC(C)=O)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1O |c:4|
CCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1[N+]([O-])=O |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(=O)OC |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F |c:4|
CC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:3|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC |c:4|
CCOc1ccccc1N1CCN(CCCNC(=O)N2C(C(C(=O)OC)=C(C)NC2=O)c2ccc(F)c(F)c2)CC1 |t:26|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(OC)cc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1cc(F)c(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@H]1C)c1ccccc1[N+]([O-])=O |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@@H]1C)c1ccccc1[N+]([O-])=O |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)cc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C#N |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1cccc(c1)[N+]([O-])=O |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(cc1)C(C)=O |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1Cl |c:4|
CC(=O)C1=C(C)NC(=O)N(C1c1cc(F)c(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:3|
COCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1cc(F)c(F)cc1F)C(=O)OC |t:3|
CCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)cc1F)C(=O)OC |t:2|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(OC)cc1C |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1 |c:4|
COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
COC(=O)C1(CCN(CCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:15|
[O-][N+](=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3nonc3c2)CC1)c1ccccc1 |t:16|
COC(=O)C1(CCN(CCCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:17|
Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:36|
NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:16|
COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3OCOc3c2)CC1)c1ccccc1 |t:16|
Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:41|
CNC[C@@H](c1ccc(c(c1)O)O)O
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncncc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2CCC3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3c12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)[N+]([O-])=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C(N)=O)C[C@@H]3CCc12
COC(=O)c1ccc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2c1
COc1ccc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2n1
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(C#N)c56)c4=O)C[C@@H]3CCc12
COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cccc(Cl)c6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(Cl)ccc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cnccc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C(N)=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)C[C@@H]3CCc12
COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6[nH]c5c4=O)CC3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nccc(Cl)c6sc5c4=O)C[C@@H]3CCc12
COc1ccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc2c1
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(C)ccc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nccnc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(Cl)ccc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(Cl)cnc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2C3CN(CCCCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C(F)(F)F)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C(=O)N(C)C)C[C@@H]3CCc12
COc1cnc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2n1
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncc(nc6sc5c4=O)-c4ccccc4)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(C)c56)c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cccc(C#N)c6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(C)c(C)nc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C#N)C[C@@H]3CCc12
COc1ccc2CCC3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3c2c1
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nccc(OC)c6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6c(Cl)cccc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(OC)c56)c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cncnc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6oc5c4=O)CC3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccncc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C#N)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncc(C)nc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2C3CN(CCCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cccnc6sc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)C[C@@H]3CCc12 |r|
CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[C@@H](O)CN1CCN(CC1)c1ccccc1OC(C)C
CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)[N+]([O-])=O)CC1
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OC(C)C
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(Cl)cc2)CC1
CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccccc2)CC1
COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(F)cc2)CC1
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(Cl)c2)CC1
COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[C@H](O)CN1CCN(CC1)c1ccccc1OC(C)C
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(C)c2)CC1
COc1ccc(cc1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(Cl)c(Cl)c2)CC1
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)C(C)(C)C)CC1
CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1
CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1
COC(CNC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(F)c1)CN1CCN(CC1)c1ccccc1OC(C)C
CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1
CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1
Fc1ccc(N2CCN(CCNC(=O)CN3CCCCC3=O)CC2)c(OCC(F)(F)F)c1
CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1
CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(CC1)c1ccccc1OC(C)C
CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1
CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1
CC(C)Oc1ccccc1N1CCN(CC(=O)CC(=O)CN2CCCCC2=O)CC1
CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1
CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1
CC(C)Oc1ccccc1N1CCN(CC1)C=CCC(=O)CN1CCCCC1=O |w:16.17|
COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1
CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1
CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N)c1ccc(F)c(F)c1 |t:1|
COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccn1)c1ccc(F)c(F)c1 |t:3|
CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:27|
Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N |c:13|
CN1C(C)=C([C@H](N(C(C)=O)C1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |c:3|
Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)c1ccccn1 |c:13|
CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|
CN1[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C(C)N(C)C1=O)c1ccc(F)c(F)c1 |t:24|
Fc1ccc(cc1)C1(CCN(CCCNC(=O)C2C=NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1)C#N |c:19|
CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccn1)c1ccc(F)c(F)c1 |t:1|
CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1 |c:2|
COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N)c1ccc(F)c(F)c1 |t:3|
Fc1ccc(C2CCN(CCCNC(=O)C3[C@H](NC(=O)N=C3C(F)(F)F)c3ccc(F)c(F)c3)CC2)c(c1)C#N |c:20|
CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |c:2|
CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|
Fc1ccc(C2CCN(CCCNC(=O)C3C=NC(=O)N[C@@H]3c3ccc(F)c(F)c3)CC2)c(c1)C#N |c:16|
COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N)c1ccc(F)c(F)c1 |t:3|
CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|
CN1[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)C(C)=NC1=O)c1ccc(F)c(F)c1 |c:26|
CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1)c1ccc(F)c(F)c1 |t:1|
COC(=O)N1[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C(C)N(C)C1=O)c1ccc(F)c(F)c1 |t:27|
CN1[C@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C(C)N(C)C1=O)c1ccc(F)c(F)c1 |t:24|
Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C#N |c:13|
Fc1ccc(cc1)C1CCN(CCCNC(=O)C2[C@H](NC(=O)N=C2C(F)(F)F)c2ccc(F)c(F)c2)CC1 |c:23|
COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1)c1ccc(F)c(F)c1 |t:3|
CN1C(=O)N[C@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:27|
Fc1ccc(cc1)C1CCN(CCCNC(=O)C2C=NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 |c:19|
CN1C=C([C@H](N(C)C1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |c:2|
CN1C=C([C@@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1 |c:2|
Fc1ccc(cc1F)[C@H]1NC(=O)N=C(C1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N)C(F)(F)F |c:13|
CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N)c1ccc(F)c(F)c1 |t:1|
Fc1ccc(cc1F)[C@H]1NC(=O)N=C(C1C(=O)NCCCN1CCC(CC1)c1ccccn1)C(F)(F)F |c:13|
OC1(CCN(CCCNC(=O)C2C=NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1)c1ccc(F)cc1 |c:12|
CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |c:2|
CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1
O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(C1CCCCC1)c1ccccc1
Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C(F)(F)F)c1ccc(C)cc1
CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1cccc(F)c1
Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccn1)c1ccc(C)cc1
COC(=O)C1(CCN(CCNC(=O)CCc2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(Cl)cc1
COC(=O)C1(CCN(CCCNC(=O)CCc2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
COc1ccccc1C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)C#N
O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(C1CCCC1)c1ccccc1
CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)cc1
Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(c1ccccc1)c1ccccc1
COC(=O)C1(CCN(CCCNC(=O)C(C)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccccc1
Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1Cl)c1ccc(C)cc1
Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)c1ccccn1)c1ccc(C)cc1
Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1C)c1ccc(C)cc1
CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
COC(=O)C1(CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1)c1ccccc1
COC(=O)C1(CCN(CCCNC(=O)Cc2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C(N)=O)c1ccccc1)c1ccc(C)cc1
COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1)c1ccc(C)cc1
Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)c1ccccc1)c1ccc(C)cc1
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|
CC(CNC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(F)c(F)c1)CN1CCC(CC1)(C#N)c1ccccn1 |c:6|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:27|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2C#N)=C1C)c1ccc(F)c(F)c1 |c:30|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1F |t:1|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1 |t:1|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C#N |t:1|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccccc2C#N)=C1C)c1ccc(F)c(F)c1 |c:28|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |t:1|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccccc1C#N |t:1|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccn2)=C1C)c1ccc(F)c(F)c1 |c:28|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |t:1|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |t:1|
C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1 |t:16|
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nc(N)n2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1
C[C@H]1OC(=O)N([C@@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
C[C@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
C[C@@H]1OC(=O)N([C@@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
CC(C)(C)Nc1c(nc2ccccn12)-c1ccccc1
COc1ccc(-c2nc3ccccn3c2NCCN2CCOCC2)c(OC)c1
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(sc5c4=O)-c4ccccc4)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)cc(C)cc5c4=O)C[C@@H]3CCc12
COc1cc2CCN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)Cc2cc1OC
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5[nH]ccc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cscc5c4=O)C[C@@H]3CCc12
COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccc(Cl)c5c4=O)C[C@@H]3CCc12
COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(csc5c4=O)-c4ccccc4)C[C@@H]3CCc12
COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
COc1cc(N)c(cc1OC)C(=O)NCCN1C[C@@H]2CCc3c(OC)cccc3[C@@H]2C1
COc1cc2n(C)c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)c(C)ccc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5sccc5c4=O)C[C@@H]3CCc12
COc1cc2CCN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)C(=O)c2cc1OC
COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC
COc1sc2c([nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c2=O)c1C(C)C
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(ccc5c4=O)C#N)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccsc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)cccc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5nccnc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4cnc5cc(OC)c(OC)cc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccncc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cnccc5c4=O)C[C@@H]3CCc12
COc1sc2c([nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c2=O)c1C
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(NC(C)=O)ccc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccnc5c4=O)C[C@@H]3CCc12
COc1cc2CN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)C(=O)Nc2cc1OC
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(Cl)ccc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCN4CNc5cc(OC)c(OC)cc5C4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccc(C)c5c4=O)C[C@@H]3CCc12
COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1
COc1cc2CN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)CNc2cc1OC
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ncccc5c4=O)C[C@@H]3CCc12
COc1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)csc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)c(OC)ccc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(C)c(C)cc5c4=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(ccc5c4=O)[N+]([O-])=O)C[C@@H]3CCc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccccc5c4=O)C[C@@H]3CCc12
COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1
COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1
COc1ccccc1N1CCN(CC1)c1c(C(C)=O)c(nn(C)c1=O)-c1ccccc1
CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2F)c(=O)n(C)nc1-c1ccccc1
COc1ccccc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
COc1ccc(Cl)cc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1
COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
COc1ccc(Cl)cc1N1CCN(CCCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
Cc1ccc(cc1)C(O)(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
Cc1ccc(cc1)C1(CC(=O)N(CC(O)CN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
Cc1ccc(cc1)C1(OC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
Cc1ccc(cc1)C(O)(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
Cc1ccc(cc1)C1(CC(=S)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12
COc1cccc2C(CCCNCCOc3ccccn3)CCCc12
COc1cccc2c(CCCNCCOc3ccccn3)cccc12
COc1cccc2c(CCCN3CCN(CC3)c3ccccn3)cccc12
CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1
COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1
COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1
COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1
COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1
COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(CC2)c2ccccc2OC)s1
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1
COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1
COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1
COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1
OCc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1
O=C1CCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCCC3=O)co2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)co2)CC1
O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)co2)CC1
O=C1CCCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
CN1CCN=C1Cc1cccnc1 |c:4|
OC(=O)CCCc1cn(CCCCCN2CCN(CC2)c2ccccc2Cl)c2ccccc12
OC(=O)CCCc1cn(CCCCN2CCN(CC2)c2ccccc2Cl)c2ccccc12
COc1ccccc1N1CCN(CCCn2cc(CCCC(O)=O)c3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCn2cc(CCCC(O)=O)c3ccccc23)CC1
COc1ccccc1N1CCN(CCCCn2cc(CCCC(O)=O)c3ccccc23)CC1
OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C(N)=O)-c1ccccc1
Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCCCO[N+]([O-])=O)-c1ccccc1
Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-]
COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C#N)-c1ccccc1
COc1ccc2c3CCNCc3[nH]c2c1
COc1ccc2c(c1)[nH]c1c(C)nccc21
COc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(CC1)c1ccccc1
Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Fc1ccc(cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1)C(F)(F)F
Clc1ccc(Cl)c(c1)N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
[O-][N+](=O)c1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
Clc1ccccc1C1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(CC3)C(C)=O)CC2=O)CC1
CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
FC(F)(F)c1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1
Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1
Clc1ccc(Cl)c(c1)C1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)CC2=O)CC1
Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
CCC1(C)CC(=O)N(CCN2CCN(CC2)c2cc(Cl)ccc2Cl)C(=O)C1
Clc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1
CN(CCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
Clc1ccccc1N1CCCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1
COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CCC2=O)CC1
COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C1CC1
COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:16|
Brc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CCCC2=O)CC1
CC(CN1CCN(CC1)c1cc(Cl)ccc1Cl)N1C(=O)CC2(CCCC2)CC1=O
Brc1ccc(Br)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Fc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:16|
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N
Cc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:15|
Cc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)C2=O)CC1
Clc1ccc(C#N)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Cc1ccc(C)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCC3)CC2=O)CC1
Clc1ccc(I)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCN(C([2H])([2H])[2H])C(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCNC(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1
Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
[#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1
[#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1
C[C@H](N)Cn1ncc2ccc(O)cc12
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O |(16.25,-12.88,;15.48,-11.55,;13.94,-11.55,;16.25,-10.21,;15.48,-8.88,;13.95,-8.88,;13.18,-7.55,;13.94,-6.23,;15.48,-6.22,;16.25,-7.55,;17.79,-7.55,;18.56,-8.89,;20.09,-8.89,;20.87,-7.56,;20.1,-6.23,;18.55,-6.22,;22.41,-7.57,;23.17,-8.91,;24.71,-8.91,;25.49,-7.58,;24.72,-6.25,;23.18,-6.24,;27.03,-7.59,;27.92,-8.83,;27.44,-10.3,;29.38,-8.37,;30.71,-9.14,;32.05,-8.38,;32.05,-6.84,;30.72,-6.07,;30.73,-4.53,;29.39,-6.82,;27.93,-6.34,;27.46,-4.88,)|
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O |(15.23,-21.71,;14.46,-20.38,;12.92,-20.38,;15.23,-19.04,;14.46,-17.71,;12.92,-17.71,;12.15,-16.39,;12.91,-15.06,;14.46,-15.05,;15.23,-16.38,;16.76,-16.38,;17.53,-17.72,;19.07,-17.73,;19.84,-16.39,;19.08,-15.06,;17.53,-15.05,;21.38,-16.4,;22.15,-17.74,;23.69,-17.74,;24.46,-16.41,;23.7,-15.08,;22.16,-15.07,;26,-16.42,;26.91,-15.17,;26.44,-13.71,;28.37,-15.65,;29.7,-14.9,;31.03,-15.67,;31.02,-17.22,;32.35,-17.99,;32.34,-19.52,;31,-20.29,;29.67,-19.51,;29.68,-17.97,;28.36,-17.2,;26.9,-17.67,;26.42,-19.13,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccnc2C1=O |(-5.9,-44.57,;-6.67,-43.23,;-8.21,-43.23,;-5.9,-41.9,;-6.67,-40.57,;-8.21,-40.56,;-8.97,-39.24,;-8.21,-37.91,;-6.67,-37.91,;-5.9,-39.24,;-4.36,-39.24,;-3.6,-40.58,;-2.06,-40.58,;-1.29,-39.25,;-2.05,-37.91,;-3.6,-37.91,;.25,-39.26,;1.02,-40.59,;2.56,-40.6,;3.33,-39.27,;2.57,-37.93,;1.03,-37.93,;4.87,-39.28,;5.78,-38.03,;5.31,-36.56,;7.24,-38.51,;8.57,-37.75,;9.9,-38.52,;9.89,-40.07,;8.55,-40.83,;7.23,-40.05,;5.77,-40.52,;5.29,-41.98,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O |(-7.03,-31.98,;-7.8,-30.64,;-9.34,-30.64,;-7.03,-29.31,;-7.8,-27.98,;-9.33,-27.97,;-10.1,-26.65,;-9.34,-25.32,;-7.8,-25.32,;-7.03,-26.65,;-5.49,-26.65,;-4.72,-27.99,;-3.19,-27.99,;-2.41,-26.66,;-3.18,-25.32,;-4.73,-25.32,;-.87,-26.67,;-.11,-28,;1.43,-28.01,;2.21,-26.68,;1.44,-25.34,;-.1,-25.34,;3.75,-26.68,;4.65,-25.44,;4.18,-23.97,;6.11,-25.92,;7.45,-25.16,;8.77,-25.93,;8.77,-27.48,;10.09,-28.25,;10.08,-29.79,;8.74,-30.55,;8.73,-32.09,;7.41,-29.77,;7.43,-28.24,;6.1,-27.46,;4.64,-27.93,;4.16,-29.39,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O |(-6.31,-12.94,;-7.08,-11.61,;-8.62,-11.61,;-6.3,-10.28,;-7.07,-8.94,;-8.61,-8.94,;-9.38,-7.62,;-8.62,-6.29,;-7.07,-6.28,;-6.31,-7.61,;-4.77,-7.62,;-4,-8.95,;-2.47,-8.96,;-1.69,-7.63,;-2.46,-6.29,;-4,-6.28,;-.15,-7.63,;.62,-8.97,;2.16,-8.98,;2.93,-7.64,;2.17,-6.31,;.63,-6.3,;4.47,-7.65,;5.37,-6.4,;4.9,-4.94,;6.84,-6.89,;8.17,-6.13,;9.5,-6.9,;10.83,-6.13,;9.49,-8.45,;10.82,-9.22,;8.15,-9.21,;6.82,-8.43,;5.36,-8.9,;4.88,-10.36,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2c(C1=O)c(F)c(F)c(F)c2F |(15.49,-2.51,;14.72,-1.17,;13.18,-1.17,;15.49,.16,;14.72,1.5,;13.18,1.5,;12.42,2.82,;13.18,4.15,;14.72,4.15,;15.49,2.82,;17.03,2.82,;17.79,1.49,;19.33,1.48,;20.1,2.81,;19.34,4.15,;17.79,4.16,;21.64,2.81,;22.41,1.47,;23.95,1.46,;24.72,2.79,;23.96,4.13,;22.42,4.14,;26.26,2.79,;27.17,4.03,;26.69,5.5,;28.63,3.55,;28.62,2.01,;27.16,1.54,;26.68,.08,;29.94,1.23,;29.93,-.31,;31.28,1.99,;32.61,1.21,;31.29,3.54,;32.63,4.3,;29.96,4.31,;29.97,5.85,)|
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccncc2C1=O |(16.6,-44.54,;15.83,-43.21,;14.29,-43.21,;16.6,-41.88,;15.83,-40.54,;14.3,-40.54,;13.53,-39.22,;14.29,-37.89,;15.83,-37.88,;16.6,-39.21,;18.14,-39.22,;18.91,-40.55,;20.44,-40.56,;21.22,-39.23,;20.45,-37.89,;18.9,-37.88,;22.76,-39.23,;23.52,-40.57,;25.06,-40.58,;25.84,-39.25,;25.07,-37.91,;23.53,-37.9,;27.38,-39.25,;28.28,-38.01,;27.81,-36.54,;29.74,-38.49,;31.07,-37.73,;32.4,-38.5,;32.4,-40.05,;31.06,-40.81,;29.73,-40.03,;28.27,-40.5,;27.79,-41.96,)|
C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1
OC(=O)c1cc(-c2ccc(cc2)C2=CC3(CNC3)C2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F |t:13|
[H][C@]12CNC[C@]1([H])CC(O)(C2)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cc(Cl)ccc1F |wU:16.17,19.24,(-10.48,-40.6,;-8.94,-40.62,;-8.15,-39.3,;-8.19,-41.96,;-8.97,-43.29,;-10.51,-43.27,;-11.31,-44.6,;-10.53,-45.95,;-9,-45.96,;-8.22,-44.64,;-6.69,-44.65,;-5.92,-45.99,;-4.38,-46.01,;-3.61,-44.69,;-4.35,-43.35,;-5.89,-43.33,;-2.07,-44.71,;-1.32,-46.06,;.22,-46.08,;1,-44.76,;.26,-43.41,;-1.29,-43.38,;2.56,-44.79,;3.34,-43.46,;2.01,-42.68,;4.67,-44.22,;4.09,-42.12,;3.32,-40.8,;4.07,-39.46,;3.29,-38.13,;5.62,-39.44,;6.41,-40.77,;5.64,-42.11,;6.43,-43.44,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1F |wU:16.17,19.24,(16.96,-18.35,;16.18,-19.68,;14.64,-19.66,;16.93,-21.02,;16.14,-22.34,;14.61,-22.32,;13.82,-23.65,;14.58,-25,;16.12,-25.01,;16.9,-23.69,;18.43,-23.7,;19.19,-25.04,;20.73,-25.06,;21.51,-23.74,;20.76,-22.4,;19.22,-22.38,;23.04,-23.76,;23.8,-25.11,;25.33,-25.13,;26.12,-23.81,;25.37,-22.46,;23.83,-22.44,;27.68,-23.84,;28.45,-22.51,;27.12,-21.74,;29.78,-23.28,;29.21,-21.17,;28.44,-19.85,;29.19,-18.51,;30.74,-18.49,;31.52,-19.82,;30.76,-21.16,;31.54,-22.49,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1 |wU:16.17,19.24,(15.71,5.56,;14.93,4.23,;13.39,4.25,;15.68,2.89,;14.89,1.57,;13.35,1.58,;12.57,.26,;13.33,-1.09,;14.87,-1.1,;15.65,.22,;17.18,.2,;17.94,-1.14,;19.48,-1.15,;20.26,.17,;19.51,1.5,;17.97,1.52,;21.79,.15,;22.55,-1.2,;24.08,-1.22,;24.87,.1,;24.12,1.45,;22.58,1.47,;26.43,.07,;27.2,1.4,;25.87,2.17,;28.53,.63,;27.96,2.74,;29.51,2.75,;30.27,4.08,;29.49,5.41,;27.94,5.4,;27.19,4.06,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC1CC1 |wU:17.21,14.14,(8.73,5.18,;7.19,5.17,;6.43,3.83,;4.89,3.81,;4.14,2.47,;4.91,1.15,;6.46,1.16,;7.22,2.5,;8.76,2.51,;9.54,1.18,;4.15,-.19,;2.82,.59,;5.48,-.96,;3.37,-1.52,;1.82,-1.49,;1.03,-2.81,;-.51,-2.79,;-1.26,-1.44,;-.48,-.12,;1.07,-.14,;-2.8,-1.42,;-3.57,-2.74,;-5.11,-2.72,;-5.88,-1.38,;-5.08,-.06,;-3.54,-.08,;-7.41,-1.37,;-8.19,-2.69,;-9.72,-2.68,;-10.49,-1.33,;-9.7,-0,;-8.16,-.02,;-7.37,1.3,;-8.13,2.65,;-7.34,3.97,;-5.99,4.72,;-7.31,5.5,)|
COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC1CC1 |wU:16.20,13.13,(5.81,-13.89,;6.57,-12.55,;5.79,-11.22,;6.55,-9.88,;5.77,-8.56,;4.22,-8.57,;3.43,-7.25,;3.47,-9.91,;4.24,-11.23,;3.48,-12.57,;2.15,-11.8,;4.81,-13.34,;2.71,-13.9,;1.15,-13.87,;.36,-15.19,;-1.18,-15.17,;-1.93,-13.82,;-1.15,-12.5,;.4,-12.52,;-3.46,-13.8,;-4.24,-15.12,;-5.78,-15.1,;-6.54,-13.77,;-5.75,-12.45,;-4.21,-12.46,;-8.08,-13.75,;-8.86,-15.07,;-10.39,-15.06,;-11.15,-13.71,;-10.37,-12.39,;-8.83,-12.4,;-8.04,-11.08,;-8.8,-9.74,;-8.01,-8.41,;-6.66,-7.66,;-7.98,-6.88,)|
COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(9.38,-31.96,;7.85,-31.96,;7.07,-30.62,;7.83,-29.29,;7.07,-27.96,;5.53,-27.96,;4.75,-26.6,;4.78,-29.27,;5.54,-30.62,;4.77,-31.96,;3.44,-31.19,;6.11,-32.74,;4,-33.28,;2.44,-33.28,;1.67,-34.61,;.15,-34.61,;-.63,-33.28,;.15,-31.94,;1.68,-31.96,;-2.17,-33.28,;-2.94,-34.61,;-4.48,-34.61,;-5.26,-33.29,;-4.47,-31.95,;-2.93,-31.95,;-6.8,-33.29,;-7.57,-34.61,;-9.11,-34.61,;-9.88,-33.28,;-9.11,-31.94,;-7.57,-31.94,;-6.8,-30.6,;-7.58,-29.27,;-6.8,-27.93,;-9.11,-29.27,)|
COc1ccc(OC)c(c1)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,14.14,(5.06,-2.44,;4.28,-3.8,;5.06,-5.16,;6.59,-5.16,;7.36,-6.49,;6.59,-7.81,;7.37,-9.16,;8.89,-9.16,;5.07,-7.81,;4.31,-6.47,;4.3,-9.14,;2.97,-8.38,;5.64,-9.92,;3.53,-10.47,;1.97,-10.47,;1.2,-11.8,;-.33,-11.8,;-1.1,-10.47,;-.33,-9.13,;1.2,-9.15,;-2.65,-10.47,;-3.42,-11.81,;-4.96,-11.81,;-5.74,-10.47,;-4.96,-9.15,;-3.41,-9.15,;-7.28,-10.47,;-8.06,-11.8,;-9.59,-11.8,;-10.36,-10.47,;-9.59,-9.13,;-8.05,-9.13,;-7.28,-7.79,;-8.05,-6.46,;-7.28,-5.12,;-9.6,-6.46,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1F |wU:16.17,wD:19.24,(14.29,-4.12,;13.51,-5.45,;11.97,-5.43,;14.26,-6.79,;13.48,-8.12,;11.94,-8.1,;11.15,-9.42,;11.92,-10.77,;13.45,-10.78,;14.23,-9.46,;15.76,-9.48,;16.53,-10.82,;18.06,-10.84,;18.84,-9.51,;18.1,-8.18,;16.56,-8.16,;20.38,-9.54,;21.16,-8.21,;22.7,-8.23,;23.45,-9.58,;22.66,-10.9,;21.13,-10.88,;25.01,-9.61,;25.79,-8.28,;24.46,-7.5,;27.11,-9.05,;26.54,-6.94,;25.77,-5.62,;26.52,-4.28,;28.07,-4.26,;28.83,-2.92,;28.85,-5.59,;28.09,-6.93,;28.87,-8.26,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |wU:16.17,wD:19.24,(14.19,-37.24,;13.4,-38.56,;11.86,-38.54,;14.15,-39.9,;13.37,-41.23,;11.83,-41.21,;11.04,-42.53,;11.81,-43.88,;13.34,-43.89,;14.12,-42.57,;15.65,-42.59,;16.42,-43.93,;17.96,-43.95,;18.73,-42.62,;17.99,-41.29,;16.45,-41.27,;20.27,-42.65,;21.05,-41.32,;22.6,-41.34,;23.34,-42.69,;22.56,-44.01,;21.02,-43.99,;24.9,-42.72,;25.68,-41.39,;24.35,-40.62,;27.01,-42.16,;26.43,-40.06,;27.98,-40.05,;28.74,-38.71,;27.96,-37.38,;28.72,-36.04,;30.26,-36.02,;31.79,-36.02,;30.25,-34.48,;30.28,-37.56,;26.41,-37.4,;25.66,-38.74,)|
COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(7.58,-42.99,;8.35,-41.66,;7.58,-40.32,;8.35,-38.99,;7.58,-37.66,;6.04,-37.66,;5.27,-36.32,;5.27,-38.99,;6.04,-40.32,;5.27,-41.66,;3.94,-40.89,;6.6,-42.43,;4.5,-42.99,;2.96,-42.99,;2.19,-44.32,;.65,-44.32,;-.12,-42.99,;.65,-41.66,;2.19,-41.66,;-1.66,-42.99,;-2.44,-44.32,;-3.98,-44.32,;-4.75,-42.99,;-3.98,-41.66,;-2.44,-41.66,;-6.29,-42.99,;-7.06,-44.32,;-8.6,-44.32,;-9.37,-42.99,;-8.6,-41.66,;-7.06,-41.66,;-6.29,-40.32,;-7.06,-38.99,;-6.29,-37.66,;-8.6,-38.99,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)Cc1ccccc1 |wU:16.17,19.24,(-7.57,-30.94,;-8.35,-32.26,;-9.89,-32.24,;-7.6,-33.6,;-8.39,-34.93,;-9.92,-34.91,;-10.71,-36.24,;-9.95,-37.58,;-8.41,-37.59,;-7.63,-36.27,;-6.1,-36.29,;-5.34,-37.63,;-3.8,-37.65,;-3.02,-36.33,;-3.77,-34.99,;-5.31,-34.97,;-1.48,-36.35,;-.73,-37.69,;.8,-37.71,;1.59,-36.39,;.84,-35.05,;-.7,-35.02,;3.15,-36.43,;3.92,-35.1,;2.59,-34.32,;5.25,-35.86,;4.68,-33.76,;6.22,-33.74,;7,-35.07,;8.54,-35.06,;9.3,-33.72,;8.51,-32.39,;6.97,-32.41,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,14.14,(9.45,6.98,;7.93,6.98,;7.17,5.66,;5.62,5.66,;4.85,4.32,;5.62,3,;7.17,3,;7.93,4.32,;9.48,4.32,;10.24,3,;4.85,1.66,;3.52,2.44,;6.19,.9,;4.08,.34,;2.54,.34,;1.78,-.99,;.24,-.99,;-.52,.34,;.24,1.67,;1.77,1.67,;-2.05,.34,;-2.82,-.99,;-4.36,-.99,;-5.12,.35,;-4.36,1.67,;-2.82,1.67,;-6.67,.35,;-7.43,-1.02,;-8.98,-1.02,;-9.75,.33,;-8.98,1.67,;-7.43,1.67,;-6.67,3,;-7.44,4.33,;-6.67,5.67,;-8.98,4.33,)|
COc1ccc(OC)c(c1)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,wD:14.14,(28.05,-2.73,;27.27,-4.09,;28.06,-5.46,;29.59,-5.46,;30.35,-6.78,;29.59,-8.1,;30.36,-9.45,;31.89,-9.45,;28.06,-8.1,;27.31,-6.76,;27.29,-9.44,;25.96,-8.68,;28.64,-10.22,;26.53,-10.77,;24.96,-10.77,;24.2,-9.45,;22.67,-9.43,;21.9,-10.77,;22.66,-12.09,;24.2,-12.09,;20.35,-10.77,;19.58,-12.1,;18.03,-12.1,;17.26,-10.77,;18.04,-9.44,;19.58,-9.44,;15.72,-10.77,;14.94,-12.1,;13.4,-12.1,;12.64,-10.76,;13.4,-9.42,;14.94,-9.42,;15.71,-8.09,;14.95,-6.76,;15.72,-5.41,;13.4,-6.76,)|
COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(32.51,-20.49,;30.97,-20.49,;30.2,-19.15,;30.97,-17.83,;30.2,-16.49,;28.66,-16.49,;27.89,-15.15,;27.89,-17.83,;28.66,-19.15,;27.89,-20.49,;26.56,-19.72,;29.22,-21.26,;27.12,-21.83,;25.58,-21.83,;24.81,-20.49,;23.27,-20.49,;22.5,-21.83,;23.27,-23.15,;24.81,-23.15,;20.96,-21.83,;20.19,-23.15,;18.65,-23.15,;17.88,-21.83,;18.65,-20.49,;20.19,-20.49,;16.34,-21.83,;15.57,-23.15,;14.03,-23.15,;13.26,-21.83,;14.03,-20.49,;15.57,-20.49,;16.34,-19.15,;15.57,-17.83,;16.34,-16.49,;14.03,-17.83,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 |wU:16.17,19.24,(-7.75,-8.21,;-8.54,-9.53,;-10.08,-9.51,;-7.79,-10.88,;-8.57,-12.2,;-10.11,-12.18,;-10.9,-13.51,;-10.14,-14.86,;-8.6,-14.87,;-7.82,-13.55,;-6.29,-13.56,;-5.53,-14.9,;-3.99,-14.92,;-3.21,-13.6,;-3.95,-12.26,;-5.49,-12.24,;-1.67,-13.62,;-.92,-14.97,;.61,-14.99,;1.41,-13.67,;.65,-12.32,;-.89,-12.3,;2.96,-13.7,;3.74,-12.37,;2.41,-11.59,;5.06,-13.14,;4.5,-11.03,;6.05,-11.02,;6.8,-9.68,;6.02,-8.35,;6.78,-7.01,;4.47,-8.37,;3.69,-7.05,;3.72,-9.71,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1[N+]([O-])=O |wU:16.17,19.24,(17.2,-32,;16.41,-33.32,;14.87,-33.3,;17.16,-34.67,;16.38,-35.99,;14.84,-35.97,;14.05,-37.3,;14.81,-38.65,;16.35,-38.66,;17.13,-37.34,;18.66,-37.35,;19.42,-38.69,;20.96,-38.71,;21.74,-37.39,;20.99,-36.05,;19.45,-36.03,;23.28,-37.41,;24.03,-38.76,;25.56,-38.78,;26.36,-37.46,;25.6,-36.11,;24.06,-36.09,;27.91,-37.49,;28.69,-36.16,;27.36,-35.38,;30.01,-36.93,;29.44,-34.82,;28.67,-33.5,;29.42,-32.16,;30.97,-32.14,;31.75,-33.47,;30.99,-34.81,;31.78,-36.15,;31.02,-37.48,;33.32,-36.14,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 |wU:16.17,wD:19.24,(15.77,-6.17,;14.99,-7.5,;13.45,-7.48,;15.74,-8.84,;14.95,-10.16,;13.42,-10.14,;12.63,-11.47,;13.39,-12.82,;14.93,-12.83,;15.71,-11.51,;17.24,-11.53,;18,-12.86,;19.54,-12.88,;20.32,-11.56,;19.57,-10.22,;18.03,-10.21,;21.85,-11.58,;22.64,-10.26,;24.18,-10.28,;24.93,-11.63,;24.14,-12.95,;22.61,-12.93,;26.49,-11.66,;27.26,-10.33,;25.93,-9.56,;28.59,-11.1,;28.02,-8.99,;29.57,-8.98,;30.33,-7.64,;29.55,-6.32,;30.31,-4.97,;28,-6.33,;27.21,-5.01,;27.25,-7.67,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(F)c1 |wU:16.17,wD:19.24,(21.3,5.8,;20.52,4.47,;18.98,4.49,;21.27,3.13,;20.48,1.81,;18.95,1.82,;18.16,.5,;18.92,-.85,;20.46,-.86,;21.24,.46,;22.77,.44,;23.53,-.89,;25.07,-.91,;25.85,.41,;25.1,1.75,;23.56,1.76,;27.38,.39,;28.17,1.71,;29.71,1.69,;30.46,.34,;29.67,-.98,;28.14,-.96,;32.02,.31,;32.79,1.64,;31.46,2.41,;34.12,.87,;33.55,2.98,;32.78,4.3,;33.53,5.64,;35.08,5.65,;35.86,4.33,;37.4,4.34,;35.1,2.99,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1C#N |wU:16.17,19.24,(16.79,-6.82,;16.01,-8.14,;14.47,-8.12,;16.76,-9.49,;15.97,-10.81,;14.44,-10.79,;13.65,-12.12,;14.41,-13.46,;15.95,-13.48,;16.73,-12.15,;18.26,-12.17,;19.02,-13.51,;20.56,-13.53,;21.34,-12.21,;20.59,-10.87,;19.05,-10.85,;22.88,-12.23,;23.63,-13.57,;25.16,-13.6,;25.95,-12.27,;25.2,-10.93,;23.66,-10.9,;27.51,-12.31,;28.28,-10.98,;26.95,-10.2,;29.61,-11.74,;29.04,-9.64,;28.27,-8.32,;29.02,-6.98,;30.57,-6.96,;31.35,-8.29,;30.59,-9.63,;31.37,-10.95,;32.15,-12.28,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(c1)C(F)(F)F |wU:16.17,wD:19.24,(18.87,-4.58,;18.1,-5.92,;16.56,-5.92,;18.87,-7.25,;18.1,-8.58,;16.56,-8.59,;15.79,-9.92,;16.57,-11.26,;18.11,-11.25,;18.87,-9.92,;20.4,-9.92,;21.18,-11.24,;22.72,-11.24,;23.48,-9.91,;22.72,-8.58,;21.18,-8.59,;25.02,-9.91,;25.78,-8.58,;27.33,-8.58,;28.1,-9.92,;27.32,-11.25,;25.79,-11.25,;29.65,-9.93,;30.41,-8.59,;29.07,-7.83,;31.75,-9.34,;31.15,-7.24,;30.36,-5.93,;31.09,-4.58,;32.64,-4.54,;33.44,-5.86,;32.7,-7.21,;34.98,-5.83,;36.51,-5.8,;34.95,-4.29,;35.01,-7.36,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(C)c(Cl)c1 |wU:16.17,wD:19.24,(14.8,-27.45,;14.03,-28.79,;12.49,-28.79,;14.8,-30.12,;14.03,-31.47,;12.49,-31.47,;11.72,-32.8,;12.5,-34.13,;14.02,-34.13,;14.8,-32.8,;16.35,-32.8,;17.11,-34.13,;18.66,-34.13,;19.43,-32.8,;18.67,-31.47,;17.13,-31.47,;20.98,-32.8,;21.75,-31.46,;23.29,-31.47,;24.05,-32.8,;23.28,-34.13,;21.75,-34.13,;25.61,-32.8,;26.37,-31.47,;25.04,-30.71,;27.72,-32.25,;27.14,-30.14,;26.38,-28.79,;27.14,-27.47,;28.67,-27.47,;29.45,-26.11,;29.44,-28.79,;30.99,-28.79,;28.67,-30.14,)|
Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC1CC1 |wU:15.19,12.12,(6.61,-24.75,;5.83,-23.42,;6.59,-22.08,;5.8,-20.75,;4.26,-20.77,;3.47,-19.44,;3.51,-22.11,;4.28,-23.43,;3.52,-24.77,;2.19,-23.99,;4.85,-25.53,;2.74,-26.1,;1.19,-26.06,;.4,-27.39,;-1.14,-27.36,;-1.89,-26.02,;-1.11,-24.69,;.44,-24.72,;-3.43,-26,;-4.2,-27.32,;-5.74,-27.3,;-6.51,-25.96,;-5.71,-24.64,;-4.17,-24.66,;-8.04,-25.94,;-8.82,-27.27,;-10.35,-27.25,;-11.12,-25.91,;-10.33,-24.58,;-8.79,-24.6,;-8,-23.28,;-8.76,-21.93,;-7.97,-20.61,;-6.62,-19.85,;-7.94,-19.07,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(cc1)S(C)(=O)=O |wU:16.17,19.24,(-6.29,-27.2,;-7.06,-28.53,;-8.6,-28.53,;-6.29,-29.86,;-7.05,-31.19,;-8.6,-31.19,;-9.38,-32.53,;-8.6,-33.89,;-7.04,-33.89,;-6.29,-32.52,;-4.73,-32.52,;-3.96,-33.86,;-2.42,-33.86,;-1.65,-32.54,;-2.43,-31.19,;-3.98,-31.19,;-.13,-32.54,;.64,-33.87,;2.18,-33.87,;2.96,-32.54,;2.17,-31.19,;.64,-31.2,;4.49,-32.54,;5.26,-31.21,;3.93,-30.44,;6.6,-31.98,;6.03,-29.87,;7.59,-29.87,;8.36,-28.55,;7.59,-27.23,;6.03,-27.23,;5.27,-28.55,;8.37,-25.89,;9.14,-24.55,;9.71,-26.66,;7.05,-25.12,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)Cc1ccccc1 |wU:16.17,wD:19.24,(15.59,-29.47,;14.8,-30.79,;13.26,-30.77,;15.56,-32.13,;14.77,-33.46,;13.23,-33.44,;12.44,-34.77,;13.21,-36.11,;14.74,-36.12,;15.52,-34.8,;17.05,-34.82,;17.82,-36.16,;19.36,-36.18,;20.13,-34.86,;19.39,-33.52,;17.85,-33.5,;21.67,-34.88,;22.45,-33.55,;24,-33.58,;24.75,-34.92,;23.96,-36.24,;22.42,-36.22,;26.3,-34.96,;27.08,-33.63,;25.75,-32.85,;28.4,-34.39,;27.84,-32.29,;29.38,-32.27,;30.15,-33.6,;31.69,-33.59,;32.45,-32.25,;31.66,-30.92,;30.13,-30.94,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1 |wU:16.17,wD:19.24,(16.2,-15.13,;15.43,-16.47,;13.89,-16.47,;16.21,-17.8,;15.44,-19.13,;13.9,-19.14,;13.14,-20.48,;13.92,-21.81,;15.46,-21.8,;16.22,-20.47,;17.75,-20.46,;18.53,-21.79,;20.07,-21.78,;20.83,-20.45,;20.06,-19.12,;18.52,-19.13,;22.37,-20.44,;23.13,-19.11,;24.67,-19.11,;25.44,-20.44,;24.67,-21.77,;23.14,-21.78,;27,-20.45,;27.75,-19.11,;26.41,-18.35,;29.09,-19.85,;28.49,-17.75,;30.04,-17.72,;30.78,-16.37,;29.97,-15.05,;30.71,-13.7,;28.43,-15.1,;27.7,-16.45,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(C)c(Cl)c1 |wU:16.17,19.24,(-7.03,-29.03,;-7.8,-30.37,;-9.34,-30.37,;-7.03,-31.7,;-7.8,-33.04,;-9.33,-33.04,;-10.11,-34.37,;-9.33,-35.71,;-7.81,-35.71,;-7.03,-34.38,;-5.48,-34.38,;-4.71,-35.71,;-3.17,-35.71,;-2.4,-34.37,;-3.16,-33.05,;-4.7,-33.05,;-.85,-34.37,;-.08,-35.7,;1.45,-35.7,;2.22,-34.37,;1.46,-33.05,;-.08,-33.04,;3.78,-34.37,;4.54,-33.05,;3.21,-32.29,;5.89,-33.82,;5.31,-31.71,;4.55,-30.37,;5.31,-29.04,;6.84,-29.04,;7.62,-27.69,;7.61,-30.37,;9.16,-30.37,;6.84,-31.71,)|
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)[N+]([O-])=O |wU:15.19,12.12,(6.24,-24.33,;7.01,-22.99,;6.24,-21.67,;7.01,-20.33,;6.24,-18.99,;4.7,-18.99,;3.93,-20.33,;4.7,-21.67,;3.93,-22.99,;2.59,-22.22,;5.26,-23.76,;3.16,-24.33,;1.62,-24.33,;.85,-25.66,;-.69,-25.66,;-1.46,-24.33,;-.69,-22.99,;.85,-22.99,;-3,-24.33,;-3.78,-25.66,;-5.32,-25.66,;-6.09,-24.33,;-5.32,-22.99,;-3.78,-22.99,;-7.63,-24.33,;-8.4,-25.66,;-9.94,-25.66,;-10.71,-24.33,;-9.94,-22.99,;-8.4,-22.99,;-7.63,-21.67,;-8.4,-20.33,;-7.63,-18.99,;-9.94,-20.33,;3.93,-17.66,;4.7,-16.33,;2.39,-17.66,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1 |wU:16.17,wD:19.24,(17.84,-39.62,;17.05,-40.94,;15.51,-40.92,;17.8,-42.28,;17.02,-43.61,;15.48,-43.59,;14.69,-44.92,;15.45,-46.26,;16.99,-46.27,;17.77,-44.95,;19.3,-44.97,;20.06,-46.31,;21.6,-46.33,;22.38,-45.01,;21.63,-43.67,;20.09,-43.65,;23.92,-45.03,;24.7,-43.7,;26.24,-43.73,;27,-45.07,;26.2,-46.39,;24.67,-46.37,;28.55,-45.11,;29.33,-43.78,;27.99,-43,;30.65,-44.54,;30.08,-42.44,;29.31,-41.12,;30.06,-39.78,;31.61,-39.76,;32.39,-41.09,;31.63,-42.43,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1Cl |wU:16.17,19.24,(-7.91,-40.14,;-8.67,-41.47,;-10.21,-41.47,;-7.91,-42.8,;-8.67,-44.13,;-10.21,-44.13,;-10.98,-45.46,;-10.21,-46.8,;-8.67,-46.8,;-7.91,-45.46,;-6.37,-45.46,;-5.6,-46.8,;-4.06,-46.8,;-3.29,-45.46,;-4.06,-44.13,;-5.6,-44.13,;-1.75,-45.46,;-.99,-46.8,;.55,-46.8,;1.32,-45.46,;.55,-44.13,;-.99,-44.13,;2.86,-45.46,;3.63,-44.13,;2.3,-43.37,;4.95,-44.91,;4.39,-42.8,;3.63,-41.47,;4.39,-40.14,;5.93,-40.14,;6.7,-38.81,;6.7,-41.47,;5.93,-42.8,;6.7,-44.13,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1[N+]([O-])=O |wU:16.17,wD:19.24,(-5.99,-39.63,;-6.77,-40.96,;-8.31,-40.94,;-6.02,-42.3,;-6.81,-43.62,;-8.35,-43.61,;-9.13,-44.93,;-8.37,-46.28,;-6.83,-46.29,;-6.05,-44.97,;-4.52,-44.99,;-3.76,-46.32,;-2.22,-46.34,;-1.44,-45.02,;-2.19,-43.68,;-3.73,-43.67,;.09,-45.04,;.88,-43.72,;2.42,-43.74,;3.17,-45.09,;2.38,-46.41,;.85,-46.39,;4.73,-45.12,;5.5,-43.79,;4.17,-43.02,;6.83,-44.56,;6.26,-42.45,;5.49,-41.13,;6.24,-39.79,;7.79,-39.78,;8.57,-41.1,;7.81,-42.44,;8.59,-43.78,;7.83,-45.12,;10.13,-43.77,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |wU:16.17,19.24,(-7.62,-38.84,;-8.38,-40.15,;-9.91,-40.15,;-7.62,-41.49,;-8.37,-42.79,;-9.92,-42.79,;-10.69,-44.13,;-9.92,-45.47,;-8.38,-45.47,;-7.63,-44.08,;-6.09,-44.08,;-5.33,-45.39,;-3.81,-45.39,;-3.05,-44.07,;-3.82,-42.73,;-5.36,-42.73,;-1.53,-44.07,;-.79,-45.37,;.76,-45.37,;1.54,-44.02,;.76,-42.67,;-.76,-42.72,;3.04,-44.02,;3.81,-42.68,;2.48,-41.92,;5.12,-43.44,;4.58,-41.36,;6.1,-41.36,;6.87,-40.02,;6.1,-38.69,;6.86,-37.37,;8.39,-37.37,;9.91,-37.37,;8.39,-35.86,;8.39,-38.9,;4.54,-38.69,;3.77,-40.03,)|
COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:15.19,12.12,(2.34,4.24,;3.12,2.91,;4.66,2.93,;5.42,4.27,;6.96,4.29,;7.74,2.96,;6.99,1.62,;5.44,1.61,;4.68,.27,;3.35,1.04,;6,-.5,;3.9,-1.06,;2.35,-1.03,;1.55,-2.35,;.02,-2.33,;-.73,-.98,;.05,.34,;1.6,.32,;-2.27,-.96,;-3.04,-2.28,;-4.58,-2.26,;-5.35,-.93,;-4.55,.39,;-3.01,.38,;-6.88,-.91,;-7.66,-2.23,;-9.19,-2.22,;-9.96,-.87,;-9.17,.46,;-7.63,.44,;-6.84,1.76,;-7.6,3.1,;-6.81,4.43,;-9.14,3.12,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1Cl |wU:16.17,wD:19.24,(14.12,-38.4,;13.35,-39.73,;11.81,-39.73,;14.12,-41.06,;13.35,-42.39,;11.81,-42.39,;11.05,-43.72,;11.81,-45.06,;13.35,-45.06,;14.12,-43.72,;15.66,-43.72,;16.43,-45.06,;17.97,-45.06,;18.73,-43.72,;17.97,-42.39,;16.43,-42.39,;20.27,-43.72,;21.04,-42.39,;22.58,-42.39,;23.34,-43.72,;22.58,-45.06,;21.04,-45.06,;24.88,-43.72,;25.65,-42.39,;24.32,-41.62,;26.98,-43.17,;26.42,-41.06,;25.65,-39.73,;26.42,-38.4,;27.96,-38.4,;28.72,-37.06,;28.72,-39.73,;27.96,-41.06,;28.72,-42.39,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(cc1)S(C)(=O)=O |wU:16.17,wD:19.24,(16.69,-26.8,;15.92,-28.13,;14.38,-28.13,;16.69,-29.47,;15.93,-30.8,;14.37,-30.8,;13.6,-32.14,;14.38,-33.49,;15.93,-33.49,;16.69,-32.12,;18.25,-32.12,;19.01,-33.46,;20.55,-33.46,;21.32,-32.14,;20.55,-30.79,;19,-30.79,;22.85,-32.14,;23.62,-30.81,;25.15,-30.8,;25.93,-32.14,;25.16,-33.47,;23.62,-33.47,;27.47,-32.14,;28.24,-30.81,;26.91,-30.04,;29.57,-31.58,;29.01,-29.47,;30.57,-29.47,;31.33,-28.15,;30.57,-26.83,;29.01,-26.83,;28.25,-28.16,;31.35,-25.49,;32.12,-24.16,;32.69,-26.26,;30.02,-24.72,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(Cl)c1F |wU:16.17,wD:19.24,(16.9,6.91,;16.13,5.58,;14.59,5.58,;16.91,4.24,;16.14,2.92,;14.6,2.9,;13.84,1.56,;14.63,.22,;16.16,.24,;16.92,1.58,;18.46,1.58,;19.24,.27,;20.78,.28,;21.54,1.63,;20.77,2.94,;19.23,2.93,;23.08,1.63,;23.84,2.97,;25.38,2.97,;26.16,1.64,;25.39,.31,;23.86,.3,;27.7,1.64,;28.47,2.98,;27.13,3.75,;29.8,2.21,;29.24,4.31,;28.44,5.68,;29.23,7,;30.78,6.98,;31.53,5.64,;33.07,5.64,;30.75,4.31,;31.52,2.98,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1F |wU:16.17,19.24,(-9.41,-5.91,;-10.19,-7.23,;-11.73,-7.21,;-9.44,-8.57,;-10.23,-9.9,;-11.76,-9.88,;-12.57,-11.21,;-11.8,-12.55,;-10.25,-12.57,;-9.48,-11.24,;-7.95,-11.26,;-7.18,-12.6,;-5.64,-12.62,;-4.87,-11.3,;-5.61,-9.96,;-7.15,-9.94,;-3.33,-11.32,;-2.58,-12.66,;-1.04,-12.69,;-.26,-11.36,;-1,-10.02,;-2.55,-9.99,;1.3,-11.4,;2.08,-10.07,;.74,-9.29,;3.4,-10.83,;2.83,-8.72,;2.06,-7.41,;2.81,-6.07,;4.36,-6.05,;5.12,-4.71,;5.14,-7.38,;4.38,-8.72,;5.16,-10.05,)|
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)C(F)(F)F |wU:15.19,12.12,(7.8,-11.98,;8.57,-10.64,;7.8,-9.3,;8.57,-7.97,;7.8,-6.63,;6.26,-6.63,;5.49,-7.97,;6.26,-9.3,;5.49,-10.64,;4.15,-9.87,;6.82,-11.41,;4.72,-11.98,;3.17,-11.98,;2.41,-13.31,;.86,-13.31,;.09,-11.98,;.86,-10.64,;2.41,-10.64,;-1.45,-11.98,;-2.22,-13.31,;-3.77,-13.31,;-4.54,-11.98,;-3.77,-10.64,;-2.22,-10.64,;-6.08,-11.98,;-6.85,-13.31,;-8.4,-13.31,;-9.16,-11.98,;-8.4,-10.64,;-6.85,-10.64,;-6.08,-9.3,;-6.85,-7.97,;-6.08,-6.63,;-8.4,-7.97,;5.49,-5.3,;4.72,-3.96,;4.15,-6.07,;6.82,-4.52,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1 |wU:16.17,19.24,(-6.69,-15.88,;-7.46,-17.21,;-9,-17.22,;-6.68,-18.54,;-7.45,-19.88,;-8.99,-19.89,;-9.75,-21.22,;-8.97,-22.56,;-7.43,-22.55,;-6.67,-21.21,;-5.14,-21.21,;-4.36,-22.53,;-2.82,-22.53,;-2.06,-21.19,;-2.83,-19.87,;-4.37,-19.87,;-.52,-21.19,;.25,-22.52,;1.78,-22.52,;2.55,-21.19,;1.78,-19.85,;.24,-19.85,;4.11,-21.2,;4.86,-19.85,;3.52,-19.1,;6.2,-20.6,;5.6,-18.5,;7.15,-18.47,;7.89,-17.12,;7.08,-15.8,;7.82,-14.45,;5.54,-15.84,;4.81,-17.19,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(F)c1 |wU:16.17,19.24,(-6.39,4.8,;-7.18,3.48,;-8.72,3.5,;-6.42,2.13,;-7.21,.81,;-8.75,.83,;-9.53,-.5,;-8.77,-1.84,;-7.24,-1.85,;-6.46,-.53,;-4.93,-.55,;-4.16,-1.89,;-2.62,-1.91,;-1.85,-.59,;-2.59,.75,;-4.13,.77,;-.31,-.61,;.44,-1.95,;1.97,-1.98,;2.77,-.65,;2.01,.69,;.47,.72,;4.32,-.69,;5.1,.64,;3.77,1.42,;6.42,-.12,;5.86,1.98,;5.08,3.3,;5.83,4.64,;7.38,4.66,;8.16,3.33,;9.7,3.34,;7.4,1.99,)|
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)[N+]([O-])=O |wU:15.19,wD:12.12,(29.55,-22.35,;30.32,-21.01,;29.55,-19.68,;30.32,-18.35,;29.55,-17.01,;28.01,-17.01,;27.24,-18.35,;28.01,-19.68,;27.24,-21.01,;25.9,-20.24,;28.57,-21.78,;26.47,-22.35,;24.93,-22.35,;24.16,-21.01,;22.62,-21.01,;21.85,-22.35,;22.62,-23.68,;24.16,-23.68,;20.31,-22.35,;19.53,-23.68,;17.99,-23.68,;17.22,-22.35,;17.99,-21.01,;19.53,-21.01,;15.68,-22.35,;14.91,-23.68,;13.37,-23.68,;12.6,-22.35,;13.37,-21.01,;14.91,-21.01,;15.68,-19.68,;14.91,-18.35,;15.68,-17.01,;13.37,-18.35,;27.24,-15.67,;28.01,-14.35,;25.7,-15.67,)|
COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(30.24,-.06,;31.01,1.28,;30.24,2.61,;31.01,3.95,;30.24,5.28,;28.7,5.28,;27.93,6.61,;27.93,3.95,;28.7,2.61,;27.93,1.28,;26.59,2.05,;29.26,.51,;27.16,-.06,;25.62,-.06,;24.85,1.28,;23.31,1.28,;22.54,-.06,;23.31,-1.39,;24.85,-1.39,;21,-.06,;20.22,-1.39,;18.68,-1.39,;17.91,-.06,;18.68,1.28,;20.22,1.28,;16.37,-.06,;15.6,-1.39,;14.06,-1.39,;13.29,-.06,;14.06,1.28,;15.6,1.28,;16.37,2.61,;15.6,3.95,;16.37,5.28,;14.06,3.95,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(c1)C(F)(F)F |wU:16.17,19.24,(-7.37,-6.15,;-8.14,-7.48,;-9.68,-7.48,;-7.37,-8.81,;-8.14,-10.15,;-9.67,-10.15,;-10.44,-11.49,;-9.66,-12.82,;-8.13,-12.81,;-7.36,-11.48,;-5.83,-11.48,;-5.05,-12.81,;-3.51,-12.8,;-2.75,-11.47,;-3.52,-10.15,;-5.06,-10.15,;-1.22,-11.47,;-.45,-12.81,;1.09,-12.81,;1.86,-11.48,;1.09,-10.14,;-.45,-10.14,;3.42,-11.49,;4.18,-10.15,;2.83,-9.39,;5.51,-10.9,;4.92,-8.8,;4.13,-7.49,;4.86,-6.14,;6.41,-6.1,;7.21,-7.42,;6.47,-8.77,;8.75,-7.39,;10.28,-7.37,;8.72,-5.85,;8.78,-8.93,)|
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)C(F)(F)F |wU:15.19,wD:12.12,(30.26,-10.98,;31.03,-9.65,;30.26,-8.31,;31.03,-6.97,;30.26,-5.64,;28.72,-5.64,;27.95,-6.97,;28.72,-8.31,;27.95,-9.65,;26.6,-8.87,;29.28,-10.42,;27.18,-10.98,;25.63,-10.98,;24.86,-9.65,;23.32,-9.65,;22.55,-10.98,;23.32,-12.32,;24.86,-12.32,;21,-10.98,;20.24,-12.32,;18.69,-12.32,;17.92,-10.98,;18.69,-9.65,;20.24,-9.65,;16.38,-10.98,;15.61,-12.32,;14.06,-12.32,;13.29,-10.98,;14.06,-9.65,;15.61,-9.65,;16.38,-8.31,;15.61,-6.97,;16.38,-5.64,;14.06,-6.97,;27.95,-4.3,;27.18,-2.96,;26.6,-5.07,;29.28,-3.53,)|
COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(32.13,-29.98,;30.6,-29.98,;29.83,-28.63,;30.59,-27.31,;29.83,-25.98,;28.29,-25.98,;27.51,-24.62,;27.54,-27.29,;28.3,-28.63,;27.52,-29.97,;26.19,-29.21,;28.87,-30.75,;26.76,-31.29,;25.2,-31.29,;24.44,-29.97,;22.91,-29.95,;22.13,-31.29,;22.9,-32.63,;24.43,-32.63,;20.59,-31.29,;19.82,-32.63,;18.27,-32.63,;17.5,-31.3,;18.28,-29.97,;19.82,-29.97,;15.96,-31.3,;15.18,-32.63,;13.65,-32.63,;12.88,-31.3,;13.65,-29.96,;15.19,-29.96,;15.96,-28.62,;15.18,-27.28,;15.96,-25.95,;13.65,-27.28,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1F |wU:16.17,wD:19.24,(-6.34,-28.26,;-7.12,-29.59,;-8.66,-29.57,;-6.37,-30.93,;-7.16,-32.25,;-8.7,-32.23,;-9.48,-33.56,;-8.72,-34.91,;-7.18,-34.92,;-6.4,-33.6,;-4.87,-33.62,;-4.11,-34.95,;-2.57,-34.97,;-1.79,-33.65,;-2.54,-32.31,;-4.08,-32.3,;-.26,-33.67,;.53,-32.35,;2.07,-32.37,;2.82,-33.72,;2.03,-35.04,;.5,-35.02,;4.38,-33.75,;5.15,-32.42,;3.82,-31.65,;6.48,-33.19,;5.91,-31.08,;5.14,-29.76,;5.89,-28.42,;7.44,-28.4,;8.22,-29.73,;7.46,-31.07,;8.24,-32.4,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1 |wU:16.17,19.24,(-6.93,-41.36,;-7.71,-42.69,;-9.25,-42.67,;-6.96,-44.03,;-7.75,-45.36,;-9.29,-45.34,;-10.07,-46.66,;-9.31,-48.01,;-7.77,-48.02,;-6.99,-46.7,;-5.46,-46.72,;-4.7,-48.06,;-3.16,-48.07,;-2.38,-46.75,;-3.13,-45.42,;-4.67,-45.4,;-.85,-46.77,;-.09,-48.12,;1.44,-48.14,;2.23,-46.82,;1.48,-45.47,;-.07,-45.45,;3.79,-46.85,;4.56,-45.52,;3.23,-44.75,;5.89,-46.29,;5.32,-44.18,;4.55,-42.86,;5.3,-41.53,;6.85,-41.51,;7.63,-42.84,;6.87,-44.17,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,wD:14.14,(31.27,8.11,;29.75,8.11,;28.99,6.78,;27.44,6.78,;26.67,5.44,;27.44,4.11,;28.99,4.11,;29.75,5.44,;31.3,5.44,;32.06,4.12,;26.67,2.78,;25.34,3.55,;28,2.02,;25.9,1.46,;24.36,1.46,;23.59,2.79,;22.06,2.78,;21.29,1.46,;22.06,.13,;23.6,.13,;19.77,1.46,;19,.13,;17.46,.13,;16.69,1.46,;17.45,2.79,;19,2.79,;15.15,1.46,;14.39,.1,;12.84,.1,;12.07,1.45,;12.83,2.79,;14.38,2.79,;15.15,4.11,;14.38,5.45,;15.14,6.78,;12.84,5.45,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1C#N |wU:16.17,wD:19.24,(-5.68,-16.28,;-6.46,-17.61,;-8,-17.59,;-5.71,-18.95,;-6.5,-20.27,;-8.03,-20.26,;-8.82,-21.58,;-8.06,-22.93,;-6.52,-22.94,;-5.74,-21.62,;-4.21,-21.64,;-3.45,-22.98,;-1.91,-22.99,;-1.13,-21.67,;-1.88,-20.34,;-3.42,-20.32,;.41,-21.69,;1.19,-20.37,;2.73,-20.39,;3.48,-21.74,;2.69,-23.06,;1.16,-23.04,;5.04,-21.77,;5.81,-20.44,;4.48,-19.67,;7.14,-21.21,;6.57,-19.1,;5.8,-17.78,;6.55,-16.44,;8.1,-16.43,;8.88,-17.76,;8.12,-19.09,;8.9,-20.42,;9.68,-21.75,)|
COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:15.19,wD:12.12,(27.63,5.59,;28.41,4.27,;29.95,4.28,;30.7,5.62,;32.25,5.64,;33.03,4.31,;32.27,2.97,;30.72,2.96,;29.96,1.62,;28.63,2.4,;31.29,.86,;29.19,.29,;27.63,.33,;26.88,1.67,;25.34,1.7,;24.56,.37,;25.31,-.97,;26.84,-1,;23.02,.39,;22.24,-.93,;20.7,-.91,;19.94,.43,;20.73,1.75,;22.27,1.73,;18.41,.45,;17.63,-.88,;16.09,-.86,;15.33,.48,;16.12,1.81,;17.65,1.79,;18.44,3.11,;17.69,4.46,;18.47,5.78,;16.15,4.48,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(Cl)c1F |wU:16.17,19.24,(-6.28,4.98,;-7.04,3.64,;-8.59,3.64,;-6.27,2.31,;-7.04,.98,;-8.58,.96,;-9.34,-.38,;-8.55,-1.71,;-7.02,-1.7,;-6.26,-.35,;-4.72,-.35,;-3.93,-1.67,;-2.39,-1.66,;-1.64,-.31,;-2.41,1,;-3.95,.99,;-.1,-.31,;.68,-1.64,;2.21,-1.63,;2.98,-.29,;2.21,1.03,;.66,1.03,;4.52,-.29,;5.29,1.04,;3.95,1.81,;6.62,.27,;6.06,2.37,;5.27,3.74,;6.05,5.07,;7.6,5.05,;8.35,3.71,;9.89,3.71,;7.57,2.38,;8.34,1.04,)|
COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(6.82,.34,;7.59,1.68,;6.82,3.02,;7.59,4.35,;6.82,5.68,;5.28,5.68,;4.51,7.02,;4.51,4.35,;5.28,3.02,;4.51,1.68,;3.17,2.45,;5.84,.91,;3.74,.34,;2.2,.34,;1.43,-.98,;-.11,-.98,;-.88,.34,;-.11,1.68,;1.43,1.68,;-2.42,.34,;-3.2,-.98,;-4.74,-.98,;-5.51,.34,;-4.74,1.68,;-3.2,1.68,;-7.05,.34,;-7.82,-.98,;-9.36,-.98,;-10.13,.34,;-9.36,1.68,;-7.82,1.68,;-7.05,3.02,;-7.82,4.35,;-7.05,5.68,;-9.36,4.35,)|
COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(30.36,-41.07,;31.13,-39.74,;30.36,-38.4,;31.13,-37.07,;30.36,-35.74,;28.82,-35.74,;28.05,-34.4,;28.05,-37.07,;28.82,-38.4,;28.05,-39.74,;26.72,-38.97,;29.38,-40.51,;27.28,-41.07,;25.74,-41.07,;24.97,-39.74,;23.43,-39.74,;22.66,-41.07,;23.43,-42.4,;24.97,-42.4,;21.12,-41.07,;20.35,-42.4,;18.81,-42.4,;18.04,-41.07,;18.81,-39.74,;20.35,-39.74,;16.5,-41.07,;15.73,-42.4,;14.19,-42.4,;13.42,-41.07,;14.19,-39.74,;15.73,-39.74,;16.5,-38.4,;15.73,-37.07,;16.5,-35.74,;14.19,-37.07,)|
COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(9.34,-21.24,;7.8,-21.24,;7.03,-19.9,;7.8,-18.57,;7.03,-17.24,;5.49,-17.24,;4.72,-15.9,;4.72,-18.57,;5.49,-19.9,;4.72,-21.24,;3.39,-20.47,;6.05,-22.01,;3.95,-22.57,;2.41,-22.57,;1.64,-23.9,;.1,-23.9,;-.67,-22.57,;.1,-21.24,;1.64,-21.24,;-2.21,-22.57,;-2.98,-23.9,;-4.52,-23.9,;-5.29,-22.57,;-4.52,-21.24,;-2.98,-21.24,;-6.83,-22.57,;-7.6,-23.9,;-9.14,-23.9,;-9.91,-22.57,;-9.14,-21.24,;-7.6,-21.24,;-6.83,-19.9,;-7.6,-18.57,;-6.83,-17.24,;-9.14,-18.57,)|
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1 |wU:16.17,wD:19.24,(-5.19,-4.99,;-5.98,-6.31,;-7.52,-6.29,;-5.23,-7.66,;-6.01,-8.98,;-7.55,-8.96,;-8.34,-10.29,;-7.58,-11.64,;-6.04,-11.65,;-5.26,-10.33,;-3.73,-10.34,;-2.97,-11.68,;-1.43,-11.7,;-.65,-10.38,;-1.4,-9.04,;-2.94,-9.02,;.89,-10.4,;1.67,-9.08,;3.21,-9.1,;3.97,-10.45,;3.17,-11.77,;1.64,-11.75,;5.52,-10.48,;6.3,-9.15,;4.96,-8.37,;7.62,-9.92,;7.05,-7.81,;8.6,-7.8,;9.36,-6.46,;8.58,-5.13,;7.03,-5.15,;6.28,-6.49,)|
FC(F)Oc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(10.76,-7.54,;9.98,-8.87,;10.75,-10.21,;8.44,-8.86,;7.67,-10.19,;6.11,-10.19,;5.34,-11.54,;6.1,-12.86,;7.66,-12.86,;8.42,-11.54,;5.33,-14.21,;4.01,-13.44,;6.69,-14.98,;4.57,-15.51,;3,-15.51,;2.24,-16.83,;.72,-16.83,;-.06,-15.48,;.71,-14.16,;2.24,-14.2,;-1.62,-15.48,;-2.39,-16.81,;-3.92,-16.81,;-4.69,-15.46,;-3.92,-14.13,;-2.39,-14.16,;-6.25,-15.46,;-7.02,-16.8,;-8.56,-16.8,;-9.33,-15.45,;-8.55,-14.13,;-7.02,-14.13,;-6.25,-12.78,;-7.02,-11.45,;-6.25,-10.12,;-5.49,-8.77,;-4.91,-10.88,;-7.59,-9.36,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1OC(C)C |wU:17.21,wD:14.14,(30.8,4.05,;29.26,4.06,;28.48,2.73,;26.92,2.73,;26.15,1.38,;26.91,.06,;28.47,.06,;29.23,1.38,;30.77,1.37,;31.54,.03,;26.14,-1.29,;24.82,-.52,;27.5,-2.06,;25.39,-2.59,;23.81,-2.59,;23.05,-1.28,;21.52,-1.24,;20.76,-2.56,;21.53,-3.91,;23.05,-3.91,;19.19,-2.56,;18.42,-3.89,;16.89,-3.89,;16.12,-2.54,;16.89,-1.21,;18.43,-1.24,;14.57,-2.54,;13.79,-3.88,;12.25,-3.88,;11.48,-2.53,;9.94,-2.52,;12.27,-1.21,;13.79,-1.21,;14.57,.13,;13.79,1.47,;14.56,2.8,;12.25,1.47,)|
O=S(=O)(N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1)c1ccc2OCOc2c1 |wU:7.10,4.3,(4.39,.82,;5.71,.06,;7.07,-.72,;4.95,-1.25,;3.38,-1.25,;2.62,-2.57,;1.1,-2.57,;.32,-1.21,;1.09,.1,;2.62,.06,;-1.24,-1.21,;-2.01,-2.54,;-3.54,-2.54,;-4.31,-1.2,;-3.54,.13,;-2.01,.1,;-5.86,-1.2,;-6.64,-2.53,;-8.18,-2.53,;-8.95,-1.18,;-8.16,.13,;-6.64,.13,;-5.86,1.48,;-6.63,2.82,;-6.63,4.36,;-7.97,3.59,;6.48,1.4,;5.71,2.72,;6.49,4.07,;8.04,4.07,;9.08,5.21,;10.49,4.57,;10.32,3.04,;8.8,2.72,;8.04,1.4,)|
Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:15.19,12.12,(8.56,-46.34,;7.79,-45.01,;8.56,-43.69,;7.8,-42.34,;6.24,-42.34,;5.47,-41.01,;5.47,-43.69,;6.23,-45.01,;5.46,-46.35,;4.14,-45.59,;6.82,-47.13,;4.71,-47.66,;3.13,-47.66,;2.37,-48.98,;.85,-48.98,;.08,-47.63,;.84,-46.31,;2.37,-46.35,;-1.49,-47.63,;-2.26,-48.96,;-3.79,-48.96,;-4.56,-47.61,;-3.79,-46.28,;-2.26,-46.31,;-6.12,-47.61,;-6.89,-48.95,;-8.43,-48.95,;-9.2,-47.6,;-8.42,-46.28,;-6.89,-46.28,;-6.12,-44.93,;-6.89,-43.6,;-6.12,-42.27,;-5.36,-40.92,;-4.78,-43.03,;-7.46,-41.5,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)F |wU:17.21,14.14,(10.25,-37,;8.71,-36.99,;7.93,-38.32,;6.37,-38.32,;5.6,-39.66,;6.36,-40.99,;7.93,-40.99,;8.69,-39.66,;10.23,-39.67,;10.99,-41.01,;5.59,-42.33,;4.27,-41.57,;6.95,-43.11,;4.84,-43.64,;3.26,-43.64,;2.5,-44.96,;.98,-44.96,;.21,-43.6,;.97,-42.29,;2.51,-42.33,;-1.36,-43.6,;-2.13,-44.93,;-3.66,-44.93,;-4.43,-43.59,;-3.66,-42.25,;-2.12,-42.29,;-5.98,-43.59,;-6.76,-44.92,;-8.3,-44.92,;-9.07,-43.58,;-8.29,-42.25,;-6.76,-42.25,;-5.98,-40.91,;-6.76,-39.58,;-5.99,-38.24,;-6.76,-36.91,;-4.45,-38.24,)|
CC(C)Oc1ccccc1C1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1 |wU:16.17,19.24,(-7.13,-7.52,;-7.84,-8.89,;-9.38,-8.96,;-7.01,-10.18,;-7.71,-11.55,;-9.25,-11.62,;-9.96,-12.99,;-9.13,-14.29,;-7.59,-14.22,;-6.88,-12.85,;-5.34,-12.79,;-4.51,-14.09,;-2.98,-14.02,;-2.26,-12.66,;-3.09,-11.36,;-4.63,-11.42,;-.73,-12.6,;.09,-13.91,;1.63,-13.85,;2.35,-12.49,;1.52,-11.18,;-.02,-11.24,;3.88,-12.43,;4.6,-11.07,;3.25,-10.33,;5.95,-11.81,;5.36,-9.72,;4.58,-8.4,;5.34,-7.06,;6.89,-7.04,;7.64,-5.7,;7.67,-8.38,;9.21,-8.36,;6.91,-9.72,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)F |wU:17.21,wD:14.14,(32.79,-36.92,;31.25,-36.91,;30.47,-38.24,;28.91,-38.24,;28.14,-39.59,;28.9,-40.91,;30.46,-40.91,;31.23,-39.59,;32.77,-39.6,;33.53,-40.94,;28.13,-42.25,;26.81,-41.49,;29.49,-43.03,;27.38,-43.56,;25.8,-43.56,;25.04,-42.25,;23.51,-42.21,;22.75,-43.53,;23.52,-44.88,;25.04,-44.88,;21.18,-43.53,;20.41,-44.86,;18.88,-44.86,;18.11,-43.51,;18.88,-42.18,;20.41,-42.21,;16.55,-43.51,;15.78,-44.85,;14.24,-44.85,;13.47,-43.5,;14.25,-42.18,;15.78,-42.18,;16.55,-40.83,;15.78,-39.5,;16.55,-38.16,;15.78,-36.83,;18.09,-38.16,)|
COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:16.20,wD:13.13,(32.85,-34.59,;31.31,-34.6,;30.53,-33.27,;31.29,-31.93,;30.5,-30.6,;28.95,-30.62,;28.17,-29.3,;28.2,-31.96,;28.98,-33.28,;28.22,-34.62,;26.87,-33.89,;29.57,-35.37,;27.5,-35.99,;25.97,-36.04,;25.14,-34.74,;23.6,-34.8,;22.89,-36.16,;23.71,-37.46,;25.24,-37.4,;21.35,-36.22,;20.64,-37.58,;19.11,-37.65,;18.28,-36.35,;18.98,-34.98,;20.53,-34.92,;16.74,-36.41,;16.03,-37.78,;14.49,-37.85,;13.66,-36.54,;14.37,-35.18,;15.9,-35.11,;16.61,-33.74,;15.78,-32.44,;15.7,-30.91,;14.41,-31.74,)|
CC(C)Oc1ccccc1C1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1 |wU:16.17,wD:19.24,(14.85,-7.42,;14.15,-8.79,;12.61,-8.86,;14.98,-10.08,;14.27,-11.45,;12.74,-11.52,;12.03,-12.89,;12.86,-14.19,;14.4,-14.12,;15.11,-12.75,;16.65,-12.69,;17.47,-13.99,;19,-13.92,;19.72,-12.56,;18.89,-11.26,;17.35,-11.32,;21.26,-12.5,;21.97,-11.14,;23.51,-11.08,;24.33,-12.39,;23.61,-13.75,;22.08,-13.81,;25.87,-12.33,;26.59,-10.97,;25.24,-10.23,;27.94,-11.71,;27.35,-9.62,;26.57,-8.3,;27.32,-6.96,;28.87,-6.94,;29.63,-5.6,;29.65,-8.28,;31.19,-8.26,;28.89,-9.62,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1cc(F)ccc1OC(C)C |wU:17.21,14.14,(10.23,-7.86,;8.69,-7.85,;7.91,-9.18,;6.36,-9.18,;5.59,-10.53,;6.35,-11.85,;7.91,-11.85,;8.67,-10.53,;10.21,-10.54,;10.97,-11.88,;5.58,-13.19,;4.26,-12.43,;6.94,-13.97,;4.82,-14.5,;3.25,-14.5,;2.49,-15.82,;.97,-15.82,;.19,-14.47,;.96,-13.15,;2.49,-13.19,;-1.38,-14.47,;-2.14,-15.8,;-3.67,-15.8,;-4.45,-14.45,;-3.67,-13.12,;-2.14,-13.15,;-6,-14.45,;-6.77,-15.79,;-8.31,-15.79,;-9.08,-17.12,;-9.08,-14.44,;-8.3,-13.12,;-6.77,-13.12,;-6,-11.77,;-6.77,-10.44,;-6,-9.11,;-8.31,-10.44,)|
FC(F)Oc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(33.81,-7.51,;33.03,-8.83,;33.79,-10.17,;31.49,-8.82,;30.71,-10.15,;29.15,-10.15,;28.38,-11.5,;29.14,-12.82,;30.71,-12.82,;31.47,-11.5,;28.37,-14.17,;27.05,-13.4,;29.73,-14.94,;27.62,-15.47,;26.04,-15.47,;25.29,-14.16,;23.75,-14.12,;22.99,-15.44,;23.76,-16.79,;25.28,-16.79,;21.42,-15.44,;20.65,-16.77,;19.13,-16.77,;18.35,-15.42,;19.12,-14.09,;20.66,-14.12,;16.8,-15.42,;16.02,-16.76,;14.48,-16.76,;13.71,-15.41,;14.5,-14.09,;16.02,-14.09,;16.8,-12.75,;16.03,-11.41,;16.8,-10.08,;17.55,-8.73,;18.13,-10.84,;15.46,-9.32,)|
Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:15.19,wD:12.12,(31.74,-46.23,;30.97,-44.89,;31.73,-43.57,;30.98,-42.22,;29.42,-42.22,;28.65,-40.89,;28.65,-43.57,;29.41,-44.89,;28.64,-46.24,;27.32,-45.47,;30,-47.01,;27.88,-47.54,;26.31,-47.54,;25.55,-46.24,;24.01,-46.19,;23.25,-47.51,;24.03,-48.86,;25.55,-48.86,;21.68,-47.51,;20.91,-48.84,;19.39,-48.84,;18.61,-47.49,;19.38,-46.16,;20.92,-46.19,;17.06,-47.49,;16.28,-48.83,;14.74,-48.83,;13.97,-47.48,;14.76,-46.16,;16.28,-46.16,;17.06,-44.82,;16.29,-43.48,;17.06,-42.15,;17.82,-40.8,;18.39,-42.91,;15.72,-41.39,)|
FC(F)Oc1cccc(c1)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(10.92,.29,;9.38,.29,;8.6,-1.03,;8.62,1.63,;7.08,1.64,;6.32,2.99,;4.76,2.99,;3.99,1.64,;4.75,.32,;6.32,.32,;3.98,-1.02,;2.66,-.26,;5.34,-1.8,;3.23,-2.33,;1.65,-2.33,;.89,-3.65,;-.63,-3.65,;-1.4,-2.3,;-.64,-.98,;.9,-1.02,;-2.97,-2.3,;-3.74,-3.62,;-5.27,-3.62,;-6.04,-2.28,;-5.27,-.95,;-3.73,-.98,;-7.59,-2.28,;-8.37,-3.62,;-9.91,-3.62,;-10.68,-2.27,;-9.89,-.95,;-8.37,-.95,;-7.59,.4,;-8.37,1.73,;-7.6,3.07,;-6.84,4.41,;-6.26,2.3,;-8.94,3.83,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(31.88,-7.8,;30.34,-7.79,;29.56,-9.12,;28,-9.12,;27.23,-10.47,;27.99,-11.79,;29.55,-11.79,;30.32,-10.47,;31.86,-10.48,;32.62,-11.82,;27.22,-13.13,;25.9,-12.37,;28.58,-13.91,;26.47,-14.44,;24.89,-14.44,;24.14,-13.13,;22.6,-13.09,;21.84,-14.41,;22.61,-15.76,;24.13,-15.76,;20.27,-14.41,;19.5,-15.73,;17.98,-15.73,;17.2,-14.39,;17.97,-13.06,;19.51,-13.09,;15.65,-14.39,;14.87,-15.72,;13.33,-15.72,;12.56,-14.38,;13.35,-13.06,;14.87,-13.06,;15.65,-11.71,;14.88,-10.38,;15.64,-9.04,;16.4,-7.7,;16.98,-9.81,;14.31,-8.28,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:17.21,14.14,(10.4,-18.11,;8.86,-18.12,;8.11,-19.46,;6.55,-19.48,;5.8,-20.82,;6.58,-22.14,;8.13,-22.14,;8.89,-20.8,;10.43,-20.78,;11.21,-22.11,;5.82,-23.49,;4.47,-22.75,;7.17,-24.23,;5.1,-24.85,;3.57,-24.91,;2.85,-26.27,;1.31,-26.33,;.49,-25.02,;1.2,-23.66,;2.75,-23.6,;-1.04,-25.08,;-1.76,-26.44,;-3.29,-26.51,;-4.12,-25.21,;-3.41,-23.84,;-1.87,-23.78,;-5.66,-25.27,;-6.37,-26.64,;-7.91,-26.71,;-8.73,-25.41,;-8.03,-24.04,;-6.49,-23.97,;-5.79,-22.6,;-6.62,-21.31,;-6.69,-19.77,;-7.99,-20.6,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(10.65,-7.4,;9.11,-7.39,;8.33,-8.72,;6.77,-8.72,;6,-10.07,;6.76,-11.39,;8.32,-11.39,;9.08,-10.07,;10.62,-10.08,;11.38,-11.42,;5.99,-12.74,;4.67,-11.97,;7.35,-13.51,;5.23,-14.04,;3.66,-14.04,;2.9,-15.36,;1.38,-15.36,;.6,-14.01,;1.37,-12.69,;2.9,-12.73,;-.96,-14.01,;-1.73,-15.34,;-3.26,-15.34,;-4.03,-13.99,;-3.26,-12.66,;-1.73,-12.69,;-5.59,-13.99,;-6.36,-15.33,;-7.9,-15.33,;-8.67,-13.98,;-7.89,-12.66,;-6.36,-12.66,;-5.59,-11.31,;-6.36,-9.98,;-5.59,-8.65,;-4.83,-7.3,;-4.25,-9.41,;-6.93,-7.89,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC(C)C |wU:17.21,wD:14.14,(30.34,5.31,;28.8,5.3,;28.05,3.95,;26.49,3.94,;25.74,2.59,;26.52,1.27,;28.07,1.28,;28.83,2.62,;30.37,2.64,;31.15,1.31,;25.76,-.07,;24.41,.67,;27.11,-.81,;25.04,-1.43,;23.51,-1.49,;22.68,-.18,;21.14,-.24,;20.43,-1.6,;21.25,-2.91,;22.79,-2.85,;18.9,-1.66,;18.18,-3.02,;16.65,-3.09,;15.82,-1.79,;16.53,-.42,;18.07,-.36,;14.28,-1.85,;13.57,-3.22,;12.03,-3.29,;11.2,-1.99,;11.91,-.62,;13.45,-.55,;14.15,.82,;13.32,2.11,;14.03,3.48,;11.78,2.04,)|
FC(F)Oc1cccc(c1)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(34.74,.1,;33.2,.11,;32.43,-1.22,;32.44,1.45,;30.9,1.46,;30.15,2.81,;28.59,2.81,;27.82,1.46,;28.58,.13,;30.14,.13,;27.81,-1.21,;26.49,-.44,;29.17,-1.98,;27.05,-2.51,;25.48,-2.51,;24.72,-1.21,;23.19,-1.16,;22.42,-2.48,;23.2,-3.83,;24.72,-3.83,;20.86,-2.48,;20.09,-3.81,;18.56,-3.81,;17.79,-2.46,;18.56,-1.13,;20.09,-1.16,;16.23,-2.46,;15.46,-3.8,;13.92,-3.8,;13.15,-2.45,;13.93,-1.13,;15.46,-1.13,;16.23,.21,;15.46,1.55,;16.23,2.88,;16.99,4.22,;17.57,2.12,;14.89,3.64,)|
FC(F)(F)COc1ccccc1C1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc2OCCOc2c1 |wU:18.19,21.26,(-5.05,-19.16,;-5.81,-20.51,;-4.47,-21.27,;-7.15,-19.75,;-6.58,-21.84,;-5.8,-23.18,;-6.58,-24.52,;-8.1,-24.52,;-8.89,-25.84,;-8.12,-27.19,;-6.58,-27.19,;-5.8,-25.85,;-4.25,-25.85,;-3.48,-27.2,;-1.95,-27.2,;-1.18,-25.87,;-1.94,-24.55,;-3.48,-24.52,;.39,-25.87,;1.16,-27.22,;2.68,-27.22,;3.44,-25.9,;2.68,-24.59,;1.15,-24.55,;5.02,-25.9,;5.77,-24.6,;4.45,-23.83,;7.13,-25.37,;6.54,-23.25,;5.78,-21.93,;6.55,-20.58,;8.11,-20.58,;8.89,-19.25,;10.43,-19.26,;11.19,-20.6,;10.41,-21.93,;8.86,-21.93,;8.1,-23.25,)|
COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:16.20,13.13,(10.04,-34.29,;8.5,-34.3,;7.72,-32.97,;8.48,-31.63,;7.7,-30.3,;6.15,-30.32,;5.37,-29,;5.4,-31.66,;6.18,-32.98,;5.42,-34.32,;4.07,-33.59,;6.77,-35.07,;4.7,-35.69,;3.16,-35.74,;2.44,-37.1,;.91,-37.16,;.09,-35.86,;.8,-34.5,;2.34,-34.44,;-1.45,-35.92,;-2.16,-37.28,;-3.7,-37.35,;-4.52,-36.05,;-3.82,-34.68,;-2.28,-34.62,;-6.06,-36.11,;-6.77,-37.48,;-8.31,-37.55,;-9.14,-36.24,;-8.43,-34.88,;-6.9,-34.81,;-6.19,-33.44,;-7.02,-32.14,;-7.1,-30.6,;-8.39,-31.43,)|
COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:16.20,13.13,(10.72,-35.85,;9.18,-35.85,;8.41,-34.51,;9.17,-33.19,;8.41,-31.84,;6.86,-31.84,;6.08,-30.51,;6.08,-33.19,;6.85,-34.51,;6.08,-35.86,;4.75,-35.09,;7.44,-36.63,;5.32,-37.16,;3.75,-37.16,;2.99,-38.48,;1.47,-38.48,;.69,-37.13,;1.45,-35.81,;2.99,-35.86,;-.88,-37.13,;-1.65,-38.46,;-3.17,-38.46,;-3.95,-37.11,;-3.18,-35.78,;-1.64,-35.81,;-5.5,-37.11,;-6.28,-38.45,;-7.82,-38.45,;-8.59,-37.1,;-7.8,-35.78,;-6.28,-35.78,;-5.5,-34.44,;-6.27,-33.1,;-5.5,-31.77,;-4.75,-30.43,;-4.17,-32.53,;-6.84,-31.01,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccc(F)cc1OC(C)C |wU:17.21,14.14,(10.4,4.9,;8.86,4.91,;8.09,3.58,;6.53,3.58,;5.76,2.24,;6.52,.91,;8.08,.91,;8.84,2.23,;10.38,2.22,;11.14,.89,;5.75,-.43,;4.43,.33,;7.11,-1.21,;4.99,-1.74,;3.42,-1.74,;2.66,-3.06,;1.14,-3.06,;.36,-1.71,;1.13,-.39,;2.66,-.43,;-1.2,-1.71,;-1.97,-3.03,;-3.5,-3.03,;-4.27,-1.69,;-3.5,-.36,;-1.97,-.39,;-5.83,-1.69,;-6.6,-3.02,;-8.14,-3.02,;-8.91,-1.68,;-10.45,-1.66,;-8.13,-.36,;-6.6,-.36,;-5.83,.99,;-6.6,2.32,;-5.83,3.66,;-8.14,2.32,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:17.21,wD:14.14,(32.87,-18.24,;31.33,-18.26,;30.57,-19.6,;29.02,-19.61,;28.27,-20.96,;29.05,-22.28,;30.59,-22.27,;31.35,-20.93,;32.89,-20.92,;33.67,-22.24,;28.29,-23.62,;26.94,-22.88,;29.64,-24.36,;27.57,-24.98,;26.03,-25.04,;25.21,-23.74,;23.67,-23.79,;22.96,-25.16,;23.78,-26.46,;25.31,-26.4,;21.42,-25.21,;20.7,-26.58,;19.17,-26.64,;18.34,-25.34,;19.05,-23.98,;20.59,-23.91,;16.81,-25.41,;16.09,-26.78,;14.55,-26.84,;13.73,-25.54,;14.43,-24.18,;15.97,-24.1,;16.67,-22.73,;15.84,-21.44,;15.77,-19.91,;14.47,-20.74,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1cc(F)ccc1OC(C)C |wU:17.21,wD:14.14,(32.28,-7.61,;30.74,-7.6,;29.96,-8.93,;28.4,-8.93,;27.63,-10.28,;28.39,-11.6,;29.95,-11.6,;30.71,-10.28,;32.25,-10.29,;33.01,-11.63,;27.62,-12.95,;26.3,-12.18,;28.98,-13.72,;26.86,-14.25,;25.29,-14.25,;24.53,-12.94,;23,-12.9,;22.23,-14.22,;23.01,-15.57,;24.53,-15.57,;20.67,-14.22,;19.9,-15.55,;18.37,-15.55,;17.6,-14.2,;18.37,-12.87,;19.9,-12.9,;16.04,-14.2,;15.27,-15.54,;13.73,-15.54,;12.96,-16.87,;12.96,-14.19,;13.74,-12.87,;15.27,-12.87,;16.04,-11.52,;15.27,-10.19,;16.04,-8.86,;13.73,-10.19,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCCF |wU:17.21,14.14,(9.78,-22.9,;8.24,-22.89,;7.46,-24.22,;5.9,-24.22,;5.13,-25.56,;5.89,-26.89,;7.45,-26.89,;8.21,-25.57,;9.75,-25.58,;10.52,-26.91,;5.12,-28.23,;3.8,-27.47,;6.48,-29.01,;4.36,-29.54,;2.79,-29.54,;2.03,-30.86,;.51,-30.86,;-.27,-29.51,;.5,-28.19,;2.03,-28.23,;-1.84,-29.51,;-2.6,-30.83,;-4.13,-30.83,;-4.91,-29.49,;-4.14,-28.16,;-2.6,-28.19,;-6.46,-29.49,;-7.23,-30.83,;-8.77,-30.83,;-9.55,-29.48,;-8.76,-28.16,;-7.24,-28.16,;-6.46,-26.81,;-7.23,-25.48,;-6.46,-24.14,;-7.23,-22.81,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC(C)C |wU:17.21,14.14,(9.42,6.24,;7.88,6.23,;7.12,4.89,;5.57,4.87,;4.82,3.53,;5.6,2.21,;7.14,2.22,;7.9,3.56,;9.44,3.57,;10.22,2.24,;4.84,.87,;3.49,1.6,;6.19,.12,;4.12,-.5,;2.58,-.55,;1.86,-1.91,;.33,-1.97,;-.49,-.67,;.22,.69,;1.76,.75,;-2.03,-.73,;-2.75,-2.09,;-4.28,-2.16,;-5.11,-.86,;-4.4,.51,;-2.86,.57,;-6.64,-.92,;-7.36,-2.29,;-8.9,-2.36,;-9.72,-1.05,;-9.02,.31,;-7.48,.38,;-6.78,1.75,;-7.61,3.05,;-6.9,4.41,;-9.15,2.97,)|
COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:16.20,wD:13.13,(33.93,-35.76,;32.39,-35.76,;31.62,-34.43,;32.38,-33.1,;31.63,-31.76,;30.07,-31.76,;29.3,-30.42,;29.3,-33.1,;30.06,-34.43,;29.29,-35.77,;27.97,-35.01,;30.65,-36.55,;28.53,-37.08,;26.96,-37.08,;26.2,-35.77,;24.67,-35.73,;23.9,-37.04,;24.68,-38.4,;26.2,-38.4,;22.33,-37.04,;21.57,-38.37,;20.04,-38.37,;19.26,-37.03,;20.03,-35.69,;21.57,-35.73,;17.71,-37.03,;16.94,-38.36,;15.4,-38.36,;14.62,-37.01,;15.41,-35.69,;16.93,-35.69,;17.71,-34.35,;16.94,-33.02,;17.71,-31.68,;18.47,-30.34,;19.05,-32.44,;16.37,-30.92,)|
FC(F)(F)COc1ccccc1C1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc2OCCOc2c1 |wU:18.19,wD:21.26,(18.05,-19.16,;17.29,-20.51,;18.63,-21.27,;15.95,-19.75,;16.52,-21.84,;17.3,-23.18,;16.52,-24.52,;15,-24.52,;14.21,-25.84,;14.98,-27.19,;16.52,-27.19,;17.3,-25.85,;18.85,-25.85,;19.62,-27.2,;21.15,-27.2,;21.92,-25.87,;21.16,-24.55,;19.62,-24.52,;23.49,-25.87,;24.25,-24.55,;25.78,-24.59,;26.54,-25.9,;25.78,-27.22,;24.26,-27.22,;28.12,-25.9,;28.87,-24.6,;27.55,-23.83,;30.23,-25.37,;29.64,-23.25,;28.88,-21.93,;29.65,-20.58,;31.21,-20.58,;31.99,-19.25,;33.53,-19.26,;34.29,-20.6,;33.51,-21.93,;31.96,-21.93,;31.2,-23.25,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCCF |wU:17.21,wD:14.14,(31.66,-22.48,;30.12,-22.47,;29.34,-23.8,;27.78,-23.8,;27.01,-25.15,;27.77,-26.47,;29.33,-26.47,;30.09,-25.15,;31.63,-25.16,;32.4,-26.5,;27,-27.82,;25.68,-27.05,;28.36,-28.59,;26.24,-29.13,;24.67,-29.13,;23.91,-27.82,;22.38,-27.77,;21.61,-29.09,;22.39,-30.44,;23.91,-30.44,;20.04,-29.09,;19.28,-30.42,;17.75,-30.42,;16.97,-29.08,;17.74,-27.74,;19.28,-27.77,;15.42,-29.08,;14.64,-30.41,;13.1,-30.41,;12.33,-29.06,;13.12,-27.74,;14.64,-27.74,;15.42,-26.4,;14.65,-25.06,;15.42,-23.73,;14.65,-22.4,)|
O=S(=O)(N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1)c1ccc2OCOc2c1 |wU:7.10,wD:4.3,(26.12,.88,;27.45,.11,;28.8,-.66,;26.69,-1.19,;25.12,-1.19,;24.36,.12,;22.82,.16,;22.06,-1.16,;22.84,-2.51,;24.36,-2.51,;20.49,-1.16,;19.73,-2.49,;18.2,-2.49,;17.43,-1.14,;18.2,.19,;19.73,.16,;15.87,-1.14,;15.1,-2.48,;13.56,-2.48,;12.79,-1.13,;13.57,.19,;15.1,.19,;15.87,1.53,;15.11,2.87,;15.11,4.42,;13.77,3.64,;28.21,1.46,;27.45,2.78,;28.22,4.13,;29.78,4.13,;30.82,5.26,;32.23,4.63,;32.06,3.09,;30.54,2.78,;29.78,1.46,)|
Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:15.19,12.12,(9.95,-45.7,;9.18,-44.37,;9.94,-43.03,;9.15,-41.7,;7.6,-41.72,;6.82,-40.4,;6.85,-43.06,;7.63,-44.38,;6.87,-45.72,;5.52,-44.99,;8.22,-46.47,;6.15,-47.08,;4.62,-47.14,;3.89,-48.5,;2.36,-48.56,;1.54,-47.26,;2.25,-45.9,;3.79,-45.84,;.01,-47.32,;-.71,-48.68,;-2.24,-48.74,;-3.07,-47.44,;-2.36,-46.08,;-.82,-46.02,;-4.61,-47.51,;-5.32,-48.88,;-6.86,-48.95,;-7.68,-47.64,;-6.98,-46.28,;-5.44,-46.21,;-4.74,-44.84,;-5.57,-43.54,;-5.64,-42,;-6.94,-42.83,)|
Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:15.19,wD:12.12,(31.96,-44.68,;31.18,-43.35,;31.94,-42.01,;31.16,-40.68,;29.61,-40.69,;28.82,-39.37,;28.85,-42.04,;29.64,-43.36,;28.88,-44.7,;27.52,-43.96,;30.22,-45.44,;28.16,-46.06,;26.62,-46.12,;25.8,-44.81,;24.25,-44.87,;23.54,-46.24,;24.37,-47.54,;25.9,-47.48,;22.01,-46.29,;21.29,-47.66,;19.76,-47.72,;18.93,-46.42,;19.64,-45.05,;21.18,-44.99,;17.39,-46.49,;16.68,-47.85,;15.14,-47.92,;14.31,-46.62,;15.02,-45.26,;16.56,-45.18,;17.26,-43.81,;16.43,-42.52,;16.36,-40.99,;15.06,-41.82,)|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
CCN([C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1 |wU:6.9,wD:3.2,(3.53,-33.38,;4.35,-32.08,;3.65,-30.72,;2.11,-30.65,;1.4,-29.28,;-.15,-29.21,;-.97,-30.51,;-.25,-31.88,;1.28,-31.94,;-2.49,-30.45,;-3.32,-31.75,;-4.85,-31.69,;-5.56,-30.33,;-4.76,-29.02,;-3.21,-29.08,;-7.1,-30.27,;-7.91,-31.57,;-9.46,-31.52,;-10.18,-30.15,;-9.36,-28.85,;-7.81,-28.91,;-6.99,-27.61,;-7.71,-26.25,;-6.89,-24.95,;-9.25,-26.19,;4.47,-29.42,;3.27,-28.46,;5.67,-30.38,;5.56,-28.31,;5.14,-26.83,;6.22,-25.73,;7.73,-26.11,;8.81,-25.01,;10.3,-25.4,;8.14,-27.61,;9.63,-27.99,;10.04,-29.47,;7.06,-28.71,)|
CCN([C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1 |wU:6.9,3.2,(3.53,-33.38,;4.35,-32.08,;3.65,-30.72,;2.11,-30.65,;1.28,-31.94,;-.25,-31.88,;-.97,-30.51,;-.15,-29.21,;1.4,-29.28,;-2.49,-30.45,;-3.32,-31.75,;-4.85,-31.69,;-5.56,-30.33,;-4.76,-29.02,;-3.21,-29.08,;-7.1,-30.27,;-7.91,-31.57,;-9.46,-31.52,;-10.18,-30.15,;-9.36,-28.85,;-7.81,-28.91,;-6.99,-27.61,;-7.71,-26.25,;-6.89,-24.95,;-9.25,-26.19,;4.47,-29.42,;3.27,-28.46,;5.67,-30.38,;5.56,-28.31,;5.14,-26.83,;6.22,-25.73,;7.73,-26.11,;8.81,-25.01,;10.3,-25.4,;8.14,-27.61,;9.63,-27.99,;10.04,-29.47,;7.06,-28.71,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(32.39,2.57,;30.9,2.95,;29.83,1.85,;28.32,2.24,;27.24,1.13,;27.66,-.35,;29.16,-.74,;30.24,.36,;31.73,-.03,;32.14,-1.51,;26.57,-1.45,;25.37,-.49,;27.77,-2.42,;25.74,-2.75,;24.21,-2.68,;23.49,-1.32,;21.95,-1.25,;21.13,-2.55,;21.85,-3.91,;23.38,-3.98,;19.6,-2.48,;18.78,-3.78,;17.25,-3.72,;16.54,-2.36,;17.34,-1.06,;18.89,-1.12,;15,-2.3,;14.19,-3.61,;12.64,-3.55,;11.92,-2.18,;12.74,-.88,;14.29,-.95,;15.11,.35,;14.39,1.72,;15.21,3.02,;15.97,4.36,;16.53,2.23,;13.89,3.81,)|
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(32.39,2.57,;30.9,2.95,;29.83,1.85,;28.32,2.24,;27.24,1.13,;27.66,-.35,;29.16,-.74,;30.24,.36,;31.73,-.03,;32.14,-1.51,;26.57,-1.45,;25.37,-.49,;27.77,-2.42,;25.74,-2.75,;24.21,-2.68,;23.38,-3.98,;21.85,-3.91,;21.13,-2.55,;21.95,-1.25,;23.49,-1.32,;19.6,-2.48,;18.78,-3.78,;17.25,-3.72,;16.54,-2.36,;17.34,-1.06,;18.89,-1.12,;15,-2.3,;14.19,-3.61,;12.64,-3.55,;11.92,-2.18,;12.74,-.88,;14.29,-.95,;15.11,.35,;14.39,1.72,;15.21,3.02,;15.97,4.36,;16.53,2.23,;13.89,3.81,)|
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
O=C(c1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
c1ccc2c(c1)nnn2CCCCN1CCN(c2nsc3ccccc23)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
C1Cc2ccccc2C1c1ncc[nH]1
C1C(Cc2ccccc12)c1ncc[nH]1
C1Cc2nc[nH]c2CC1c1ccccc1
C1C(Cn2ccnc12)c1ccccc1
C1Cc2nccn2CC1c1ccccc1
Clc1ccccc1C1CCc2nc[nH]c2C1
Clc1cccc(c1)C1CCc2nc[nH]c2C1
Clc1ccc(cc1)C1CCc2nc[nH]c2C1
COc1ccccc1C1CCc2nc[nH]c2C1
COc1cccc(c1)C1CCc2nc[nH]c2C1
COc1ccc(cc1)C1CCc2nc[nH]c2C1
COCc1ccccc1C1CCc2nc[nH]c2C1
Clc1ccccc1C1Cc2nccn2C1
Clc1ccc(cc1)C1Cc2nccn2C1
COc1cccc(c1)C1Cc2nccn2C1
Fc1ccccc1C1Cc2nccn2C1
N#Cc1ccccc1C1Cc2nccn2C1
COCc1ccccc1C1Cc2nccn2C1
COCc1c2CC[C@@H](c3ncc[nH]3)c2ccc1Cl |r|
N#Cc1ccccc1[C@@H]1Cc2nccn2C1 |r|
C1[C@H](Cn2ccnc12)c1ccccc1-c1ccccc1 |r|
C1[C@H](Cn2ccnc12)c1ccccc1-c1cncnc1 |r|
C1[C@H](Cn2ccnc12)c1ccccc1-c1ncco1 |r|
C1[C@@H](Cn2ccnc12)c1ccccc1-c1ncco1 |r|
CNC(=O)c1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|
Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cncnc1
Fc1ccc(-c2cncnc2)c(c1)C1Cc2nccn2C1
Fc1cccc(-c2cncnc2)c1C1Cc2nccn2C1
Fc1ccc(C2Cc3nccn3C2)c(c1)-c1ncco1
Fc1ccc(-c2ncco2)c(c1)C1Cc2nccn2C1
Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cc[nH]n1
Fc1ccc(-c2cc[nH]n2)c(c1)C1Cc2nccn2C1
Fc1ccc(c(c1)C1Cc2nccn2C1)-n1cccn1
Fc1ccc(C2Cc3nccn3C2)c(c1)-n1cccn1
C1[C@H](Cn2ccnc12)c1ccccc1-c1ccncc1 |r|
C1[C@H](Cn2ccnc12)c1ccccc1-n1cccn1 |r|
CS(=O)(=O)Nc1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|
CNS(=O)(=O)CCc1ccccc1[C@@H]1Cc2nccn2C1 |r|
C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1 |r|
CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12
Brc1ccc2c(c[nH]c2c1)-c1nc(c[nH]1)-c1c[nH]c2ccccc12
Brc1ccc2c(c[nH]c2c1)-c1c[nH]c(n1)-c1c[nH]c2ccccc12
Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2ccccc12
Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12
Brc1ccc2c(c[nH]c2c1)-c1c[nH]c(n1)-c1c[nH]c2cc(Br)ccc12
COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
Cc1ccc(cc1)N1CCN(CCCn2nc(C)c(C=C)c(N)c2=O)CC1
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
NC[C@H](O)c1cc(O)c(O)cc1F
NC[C@H](O)c1ccc(O)c(O)c1F
COc1cccc(F)c1OC1CN(Cc2cnn(c2C)-c2ccccc2)C1
Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cc3nnn(C)n3)cc12
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cc3nnnn3C)cc12
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CC(=O)NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1nnc(Cc2ccc3n(cc(C4CCN(CCN5CCNC5=O)CC4)c3c2)-c2ccc(F)cc2)n1
CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cncnc1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnnn1C
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccnn1C
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccn(C)n1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cnn(C)c1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ncn(C)n1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccc(C)s1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccn1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccnc1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccncc1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccc1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccc1C
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccc(C)c1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccc(C)cc1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccc(C)c1C
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1c(C)cccc1C
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1c(C)cc(C)cc1C
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)C#N
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CN)cc12
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12
CC(C)C(=O)NCc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(=O)C(C)(C)C)cc12
CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r|
CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r|
CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@@H](N3CCN(C)CC3)c2c1 |r|
CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 |r|
Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)|
COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCCCC2CCSS2)c-31 |r|
COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(35.86,-1.26,;36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)|
COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1
CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1
CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1
COC(=O)C1(CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1)c1ccccc1
O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
CC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:8,t:1|
CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
COc1ccc(cc1)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:19,t:26|
CC1=NC(CCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:1|
CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC |c:5,t:12|
CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
CC1=NC(CCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:8,t:1|
CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(CC)N=C1COCCN)c1ccc(cc1)[N+]([O-])=O |c:38,t:34|
CN(C)CC1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
CCCCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:16,t:5|
CCC1=C(C(C(C(N)=O)C(COCCN)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:2|
COC(=O)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(cc3c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1
COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
CN1CCc2c(Cl)ccc3oc(Br)c(C1)c23
CN1CCc2cccc(Cl)c2CC1
[#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1
CCc1sc2ccc(Cl)c3CCN(C)Cc1c23
CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCC(=O)c2cccc3c2oc(-c2ccccc2)c(C)c3=O)CC1
COc1ccc(CC2N(CCc3cc(OC)c(OC)cc23)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC
COc1ccccc1N1CCN(CCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCOc2cccc3c2oc(-c2ccccc2)c(C)c3=O)CC1
Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|
COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|
COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(=O)Nc2ccccc32)CC1 |r,c:16|
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:17|
COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(=O)Nc2ccccc32)CC1 |r,c:16|
COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(N)=O |t:2|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(Cl)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC |t:2|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc2nonc2c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(C)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)cc1F)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1cccc(C)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
CNC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
COC(=O)C1(CCN(CCCNC(=O)N2C(C(C(N)=O)=C(C)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:19|
CCOC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:5|
COC(=O)C1(CCN(CCCNC(=O)N2C(C(C(O)=O)=C(C)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:19|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1cccc(Cl)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
COC(=O)C1=C(C)NC(=O)N(C1c1cccc(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NC |t:2|
COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(=O)OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
COCC1=C(C(N(CCCCCN2CCC(CC2)(C#N)c2ccccc2)C(C)=N1)c1ccc(F)c(F)c1)C(=O)OC |c:29,t:3|
CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)cc1F |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)cc1F |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(c2ccc(C)cc2)c2ccccc2C)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2C(F)(F)F)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
COCC1=NC(C)=C(C(N1CCCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(F)c(F)c1)C(=O)OC |c:6,t:3|
COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(CC3)(C(=O)OC)c3ccccc3)c2)C1c1ccc(F)c(F)c1 |c:4,t:7|
COC(=O)C1(CCN(CCCCCN2C(C(C(N)=O)=C(C)N=C2C)c2ccc(F)cc2F)CC1)c1ccccc1 |c:21,t:18|
COc1cc2[C@@H]3Cc4ccc(O)c(OC)c4CN3CCc2cc1O
COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1
C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1ccc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CN1CCC(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3ccc(cc23)-c2ncn(C)n2)C1=O
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCC#N)CC2)c2cc(ccc12)-c1ncccn1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCC#N)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Cn1cc(C2CCN(CCCN3CCCCC3)CC2)c2ccccc12
Fc1ccc2[nH]cc(C3CCN(CCCN4CCCCC4)CC3)c2c1
C(CCN1CCC(CC1)c1c[nH]c2ccccc12)CN1CCCCC1
Fc1ccc2c(c[nH]c2c1)C1CCN(CCCN2CCCCC2)CC1
Cc1[nH]c2ccccc2c1C1CCN(CCCN2CCCCC2)CC1
C(CN1CCCCC1)CN1CCC(CC1)c1noc2ccccc12
C(CN1CCCCC1)CN1CCC(Cc2ccccc2)CC1
C(CN1CCCCC1)CN1CCC(CC1)c1c[nH]c2ccccc12
O=c1[nH]c2ccccc2n1C1CCN(CCCN2CCCCC2)CC1
C(CCN1CCCCC1)CCN1CCC(CC1)c1c[nH]c2ccccc12
C(CN1CCCCC1)CN1CCC(CC1)c1coc2ccccc12
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Clc1ccc2C(CCc2c1-c1cc[nH]n1)c1ncc[nH]1
Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O |t:5|
Cc1oncc1-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
C1Cc2c(cccc2-c2ncco2)C1c1ncc[nH]1 |w:13.16|
C1Cc2c(cccc2-c2cccnc2)C1c1ncc[nH]1 |w:14.17|
C1Cc2c(cccc2-c2ccccn2)C1c1ncc[nH]1 |w:14.17|
Cn1cc(cn1)-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
Cn1nccc1-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
C1Cc2c(cccc2-c2cn[nH]c2)C1c1ncc[nH]1 |w:13.16|
C1Cc2c(cccc2-c2cc[nH]n2)C1c1ncc[nH]1
CS(=O)(=O)Nc1c(Cl)ccc2C(CCCc12)c1ncc[nH]1
COc1c2CCC(c3ncc[nH]3)c2ccc1Cl |w:6.6|
COc1c2CCC(c3ncc[nH]3)c2ccc1C |w:6.6|
CNC(=O)c1cccc2C(CCc12)c1ncc[nH]1 |w:9.14|
CS(=O)(=O)Nc1cccc2C(CCCc12)c1ncc[nH]1 |w:10.16|
CCCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:12.17|
CCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:11.16|
CS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:10.15|
Clc1ccc2C(CCc2c1-c1cn[nH]c1)c1ncc[nH]1
C1Cc2c(cccc2-c2nccs2)C1c1ncc[nH]1 |w:13.16|
Cn1ccc(n1)-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
Cc1ccc2C(CCc2c1NS(C)(=O)=O)c1ncc[nH]1 |w:5.16|
COc1cccc2C(CCc12)c1ncc[nH]1 |w:7.12|
C1CC(c2ncc[nH]2)c2ccccc2C1 |w:2.2|
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
CCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O |r|
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccncc23)cc1 |r|
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 |r|
COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1 |r,t:8,10,TLB:51:32:29:39.34.35,THB:51:32:29.30.39:35,33:32:29:39.34.35,31:32:29.30.39:35|
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18|
COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O
CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1
COc1ccc2CCCCc2c1OCCNC[C@@H]1COc2ccccc2O1
COc1ccc(cc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1 |r|
COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1
COc1cc(ccc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1 |r|
COc1ccc(cc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1
COc1cccc(OC)c1OCCNC[C@H]1COc2cc3CCCCc3cc2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1
COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 |r|
COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3CCCCc3cc2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 |r|
COc1ccc2CCCCc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
COc1cc(ccc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1
COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
COc1ccccc1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1 |r|
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)C1COc2ccccc2O1
CCOc1ccccc1N1CCN(CC(O)CN2CCC(C2=O)(c2ccccc2)c2ccccc2)CC1
Cc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1CCCNCC1COC(O1)(c1ccccc1)c1ccccc1
COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1
COc1cccc(OC)c1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1OC
COc1ccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)cc1OC
COc1cc(OC)cc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1
CCOc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
CC(C)Oc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
C(COc1cccc(c1)-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
C(COc1ccc(cc1)-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1CSC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1CSC(S1)(c1ccccc1)c1ccccc1
C(COc1ccccc1-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7|
COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1
COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1
COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1
CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1
COc1cccc(c1OCCNCCOc1ccccc1OCc1ccccc1)[N+]([O-])=O
COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1
COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1
COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1
Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1
Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1
Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1
C(COc1ccccc1)NCCOc1ccccc1OCc1ccccc1
CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1
CC1(C)[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
C[C@]12C[C@]1(Cc1ccccc21)c1cnc[nH]1 |r|
CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
CO[C@@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
CCC1(Cc2ccc(F)cc2C1)c1cnc[nH]1
CCC1(Cc2ccccc2C1)c1cnc[nH]1
C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
C1CC11c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O |r|
COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O |r|
COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O |r|
COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O |r|
COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O |r|
COc1ccccc1N1CCN(CCN2C(=O)CC(CC2=O)c2ccccc2)CC1
Clc1ccccc1N1CCN(CCN2C(=O)CC(CC2=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
Clc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
Clc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccc(Cl)cc2)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccc(Cl)cc2)CC1
COc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccc(cc2)[N+]([O-])=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccc(cc2)[N+]([O-])=O)CC1
COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1
COc1ccccc1N1CCN(CCN2C(=O)CC(CC2=O)c2ccc(Cl)cc2)CC1
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1
Clc1ccc(cc1)C1CC(=O)N(CCCN2CCN(CC2)c2ccccc2Cl)C(=O)C1
COc1ccccc1N1CCN(CCCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
Clc1ccc(cc1)C1CC(=O)N(CCN2CCN(CC2)c2ccccc2Cl)C(=O)C1
COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1
C(COc1ccccc1)NCC1CCC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CC2CCC(O2)(c2ccccc2)c2ccccc2)CC1
O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1CCC(C1=O)(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CC2CCC(C2=O)(c2ccccc2)c2ccccc2)CC1
O[C@@H]1[C@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@H]1CCC([C@@H]1O)(c1ccccc1)c1ccccc1 |r|
COc1ccccc1N1CCN(C[C@H]2CCC([C@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CCC([C@@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
COc1ccccc1OCCNCC1CCC(O1)(c1ccccc1)c1ccccc1
O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r|
COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
O=C(N1CCCCC1)c1ccccc1NCC1=NCCN1 |t:18|
CNC(=O)c1ccccc1NCC1=NCCN1 |t:13|
CC(C)COC(=O)c1ccccc1NCC1=NCCN1 |t:16|
CCNC(=O)c1ccccc1NCC1=NCCN1 |t:14|
CC(C)(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:16|
O=C(NC1CCC1)c1ccccc1NCC1=NCCN1 |t:17|
O=C(OC1CCCCC1)c1ccccc1NCC1=NCCN1 |t:19|
O=C(OC1CCCC1)c1ccccc1NCC1=NCCN1 |t:18|
O=C(NC1CC1)c1ccccc1NCC1=NCCN1 |t:16|
C(C1=NCCN1)c1cccc2ccccc12 |t:1|
CCCN(CC)C(=O)c1ccccc1NCC1=NCCN1 |t:17|
CCC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:16|
CCC(CC)OC(=O)c1ccccc1NCC1=NCCN1 |t:17|
O=C(N1CCCC1)c1ccccc1NCC1=NCCN1 |t:17|
CCN(C)C(=O)c1ccccc1NCC1=NCCN1 |t:15|
CN(C)C(=O)c1ccccc1NCC1=NCCN1 |t:14|
CCCNC(=O)c1ccccc1NCC1=NCCN1 |t:15|
O=C(NC1CCCC1)c1ccccc1NCC1=NCCN1 |t:18|
CCOC(=O)c1ccccc1NCC1=NCCN1 |t:14|
C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
CC(C)CNC(=O)c1ccccc1NCC1=NCCN1 |t:16|
CCC(C)NC(=O)c1ccccc1NCC1=NCCN1 |t:16|
CCCCNC(=O)c1ccccc1NCC1=NCCN1 |t:16|
CCCCOC(=O)c1ccccc1NCC1=NCCN1 |t:16|
CC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:15|
CC(C)NC(=O)c1ccccc1NCC1=NCCN1 |t:15|
COC(=O)c1ccccc1NCC1=NCCN1 |t:13|
CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 |t:16|
CCCNC(=O)c1ccccc1NCc1cnc[nH]1
CS(=O)(=O)c1ccccc1NCc1c[nH]cn1
C(Nc1ccccc1N1CCCCC1)C1=NCCN1 |t:16|
CCN(CC)C(=O)c1ccccc1OCc1c[nH]cn1
C(Oc1ccccc1-c1ccccc1)c1cnc[nH]1
C(Oc1ccccc1-c1ccccn1)C1=NCCN1 |t:16|
CCN(CC)C(=O)c1ccccc1NCc1c[nH]cn1
C(Oc1ccccc1-c1ccno1)c1c[nH]cn1
C(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
C(Oc1ccccc1-c1ccno1)C1=NCCN1 |t:15|
CCN(CC)C(=O)c1ccccc1OCC1=NCCN1 |t:16|
Oc1ccc2cccc(NCc3c[nH]cn3)c2c1
Oc1ccc2cccc(NCC3=NCCN3)c2c1 |t:11|
C(Nc1ccccc1-c1cnco1)c1c[nH]cn1
C(Nc1ccccc1-c1cnco1)C1=NCCN1 |t:15|
C(Nc1ccccc1N1CCCCC1)c1c[nH]cn1
CSc1ccccc1NCc1cnc[nH]1
Cc1cccc(n1)-c1ccccc1OCC1=NCCN1 |t:17|
Cc1ccnc(c1)-c1ccccc1OCC1=NCCN1 |t:17|
C(Oc1ccccc1-c1ncccn1)C1=NCCN1 |t:16|
C(Oc1ccccc1-c1cnccn1)C1=NCCN1 |t:16|
Cc1cccnc1-c1ccccc1OCC1=NCCN1 |t:17|
C(Oc1ccccc1-c1ncc[nH]1)C1=NCCN1 |t:15|
Cc1csc(n1)-c1ccccc1OCC1=NCCN1 |t:16|
C(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
Cc1cc(sn1)-c1ccccc1OCC1=NCCN1 |t:16|
C(Oc1ccccc1-c1ccsc1)C1=NCCN1 |t:15|
Cn1nccc1-c1ccccc1OCC1=NCCN1 |t:16|
C(Oc1ccccc1-c1cc[nH]n1)C1=NCCN1 |t:15|
C(Oc1ccccc1-c1ccns1)C1=NCCN1 |t:15|
C(Oc1ccccc1-c1nccs1)C1=NCCN1 |t:15|
C(Oc1ccccc1-c1cccnc1)C1=NCCN1 |t:16|
Cc1ccoc1-c1ccccc1OCC1=NCCN1 |t:16|
C(Oc1ccccc1-c1ccoc1)C1=NCCN1 |t:15|
C(Oc1ccccc1-c1ccc[nH]1)C1=NCCN1 |t:15|
Cc1cnsc1-c1ccccc1OCC1=NCCN1 |t:16|
C(Oc1ccccc1-c1ccncc1)C1=NCCN1 |t:16|
C(Oc1ccccc1-c1ccncn1)C1=NCCN1 |t:16|
C(Oc1ccccc1-c1ccco1)C1=NCCN1 |t:15|
C(Oc1ccccc1-c1cccs1)C1=NCCN1 |t:15|
Cc1ccc(s1)-c1ccccc1OCC1=NCCN1 |t:16|
FC(F)(F)c1cccnc1-c1ccccc1NCC1=NCCN1 |t:20|
CO\N=C(/C)c1ccccc1NCC1=NCCN1 |t:14|
C(Nc1ccccc1-c1ncccn1)C1=NCCN1 |t:16|
Cc1ncoc1-c1ccccc1NCC1=NCCN1 |t:16|
C(Nc1ccccc1-c1cccs1)C1=NCCN1 |t:15|
C(Nc1ccccc1-c1ccno1)C1=NCCN1 |t:15|
C(Nc1ccccc1-c1ncco1)C1=NCCN1 |t:15|
Cc1cccnc1-c1ccccc1NCC1=NCCN1 |t:17|
Cc1noc(n1)-c1ccccc1NCC1=NCCN1 |t:16|
Nc1nccc(n1)-c1ccccc1NCC1=NCCN1 |t:17|
Cc1ccsc1-c1ccccc1NCC1=NCCN1 |t:16|
C(Nc1ccccc1-c1ccccn1)C1=NCCN1 |t:16|
Cc1ccc(o1)-c1ccccc1NCC1=NCCN1 |t:16|
C(Nc1ccccc1-c1cnccn1)C1=NCCN1 |t:16|
CC\C(=N\OC)c1ccccc1NCC1=NCCN1 |t:15|
Cc1nc(no1)-c1ccccc1NCC1=NCCN1 |t:16|
C(Nc1ccccc1-c1cnoc1)C1=NCCN1 |t:15|
C(Nc1ccccc1-c1ccco1)C1=NCCN1 |t:15|
Cc1ccc(s1)-c1ccccc1NCC1=NCCN1 |t:16|
Cc1nc(cs1)-c1ccccc1NCC1=NCCN1 |t:16|
Cc1nc(co1)-c1ccccc1NCC1=NCCN1 |t:16|
CCO\N=C(/C)c1ccccc1NCC1=NCCN1 |t:15|
CC\C(=N/OC)c1ccccc1NCC1=NCCN1 |t:15|
CO\N=C\c1ccccc1NCC1=NCCN1 |t:13|
Cc1ncc(o1)-c1ccccc1NCC1=NCCN1 |t:16|
Cc1cc(on1)-c1ccccc1NCC1=NCCN1 |t:16|
CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 |t:19|
C(Nc1ccccc1-c1cc[nH]n1)C1=NCCN1 |t:15|
C(Nc1ccccc1-c1nc[nH]n1)C1=NCCN1 |t:15|
CCn1cc(cn1)-c1ccccc1NCC1=NCCN1 |t:17|
FC(F)(F)Cn1ncnc1-c1ccccc1NCC1=NCCN1 |t:20|
Cc1n[nH]c(n1)-c1ccccc1NCC1=NCCN1 |t:16|
CCn1ccc(n1)-c1ccccc1NCC1=NCCN1 |t:17|
Cn1ncnc1-c1ccccc1NCC1=NCCN1 |t:16|
CCn1nccc1-c1ccccc1NCC1=NCCN1 |t:17|
CCn1ncnc1-c1ccccc1NCC1=NCCN1 |t:17|
CCCn1ncnc1-c1ccccc1NCC1=NCCN1 |t:18|
Cn1cccc1-c1ccccc1NCC1=NCCN1 |t:16|
C(Nc1ccccc1-c1cn[nH]c1)C1=NCCN1 |t:15|
FC(F)(F)Cn1nccc1-c1ccccc1NCC1=NCCN1 |t:20|
Cn1ccc(n1)-c1ccccc1NCC1=NCCN1 |t:16|
CC(C)n1ncnc1-c1ccccc1NCC1=NCCN1 |t:18|
Cn1cc(cn1)-c1ccccc1NCC1=NCCN1 |t:16|
Cc1nc(-c2ccccc2NCC2=NCCN2)n(C)n1 |t:13|
CC(C)n1nccc1-c1ccccc1NCC1=NCCN1 |t:18|
CCCn1nccc1-c1ccccc1NCC1=NCCN1 |t:18|
CCn1cccc1-c1ccccc1NCC1=NCCN1 |t:17|
Cn1ccnc1-c1ccccc1NCC1=NCCN1 |t:16|
Cc1ccc(-c2ccccc2NCC2=NCCN2)n1C |t:14|
Cn1nccc1-c1ccccc1NCC1=NCCN1 |t:16|
COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(cc2)C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(cc2)C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(c2)C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)c1
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(c2)C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ncn(C)n1
Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
COc1ccccc1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13
[H][C@]12CCN(CCCc3noc4ccccc34)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCc3noc4cc(F)ccc34)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r|
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)c5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCc5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCCc5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCN(C)Cc5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCN(C)C)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)c5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCNC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Cc1ccccc1N1CCN(CCCCN2CCCC2=O)CC1
Fc1ccc(cc1)C(N1CCN(CCCCN2CCCC2=O)CC1)c1ccc(F)cc1
Oc1ccccc1N1CCN(CCCCN2CCCC2=O)CC1
Fc1ccc(N2CCN(CCCCN3CCCC3=O)CC2)c(F)c1
Clc1ccccc1N1CCN(CCCCN2CCCC2=O)CC1
O=C1CCCN1CCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(6.4,-19.42,;5.33,-20.04,;4,-19.27,;3.99,-17.71,;2.66,-16.94,;2.67,-15.4,;1.34,-14.63,;.01,-15.4,;0,-16.94,;-1.07,-17.55,;1.33,-17.71,;1.33,-19.24,;2.67,-20.03,;2.66,-21.57,;1.59,-22.18,;1.34,-13.09,;.01,-12.32,;.01,-10.78,;1.34,-10.01,;2.67,-10.78,;2.67,-12.32,;1.34,-8.47,;2.41,-7.85,;0,-7.7,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;0,-3.08,;1.34,-3.85,;1.34,-5.39,;2.67,-3.09,;2.68,-2.06,;3.74,-3.7,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,)|
CCN(CC)c1ccc2cc(-n3cc(nn3)C(=O)N3CCN(CC3)c3nc(N)c4cc(OC)c(OC)cc4n3)c(=O)oc2c1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cn(nn1)-c1cc2ccc(O)cc2oc1=O
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cc2ccc(O)cc2oc1=O
COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CC[S+]([O-])CC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)c3ccccc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)c3ccccn3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccccc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccco3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C3CCCCC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C3CCCN3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(C)=O)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C(F)(F)F)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccccc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccs3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(C)(=O)=O)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)Nc3ccccc3)O2)CC1
CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(CC1)c1ccccc1OC)O2
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)NC(C)(C)C)O2)CC1
Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12
COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12
C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1
COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1
Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1
COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1
COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12
C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12
Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1
Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
C(CN1CCC(CC1)c1c[nH]c2ccccc12)Cn1cccc1
C(CN1CCc2ccccc12)CN1CCC(CC1)c1c[nH]c2ccccc12
C(CN1Cc2ccccc2C1)CN1CCC(CC1)c1c[nH]c2ccccc12
C(CN1CCC(CC1)c1c[nH]c2ccccc12)CN1CCC(CC1)c1ccccc1
C(CN1CCC(CC1)c1c[nH]c2ccccc12)CN1CCc2ccccc2C1
Fc1ccc2c(c[nH]c2c1)C1CCN(CCCN2CCc3ccccc3C2)CC1
O=C1N(CCCN2CCC(CC2)c2c[nH]c3ccccc23)C(=O)c2ccccc12
C1CC(CCN1)c1c[nH]c2ccccc12
CN(C)CCCN1CCC(CC1)c1c[nH]c2ccccc12
C(CC1CCCCC1)CN1CCC(CC1)c1c[nH]c2ccccc12
C(CN1CCC(CC1)c1c[nH]c2ccccc12)Cc1ccccc1
Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
C=CCN(CCc1c[nH]c2ccccc12)CC=C
Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N
CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F |r|
CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCc1ccccc1
CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCC(F)(F)F
COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Br)ccc1OCC(F)(F)F
CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3CCN(CCCO)c3c(c2)C(N)=O)c1
CCc1ccc(OCCNC(C)Cc2cc3CCN(CCCO)c3c(c2)C(N)=O)c(OC)c1
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc(F)cc1OCC(F)(F)F
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F
COc1cc(Cl)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
COc1cc(Br)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
COc1cc(C)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
COc1cc(F)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
COc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCc1ccccc1
COc1ccc(F)cc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)cc(C)cc1C
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1C
CCc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)cccc1C
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)ccc(C)c1C
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc2OCOc2c1
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc(F)cc1Br
CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3n(CCCO)ccc3c2)c1
C[C@H](Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(C)ccc1OCC(F)(F)F |r|
CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccc(F)cc1Br
COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F
CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(C)ccc1OCC(F)(F)F
C[C@@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F |r|
C[C@H](Cc1cc2c(c(c1)C(=O)N)N(CC2)CCCO)NCCOc3ccccc3OCC(F)(F)F
C[C@@H](Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(C)ccc1OCC(F)(F)F |r|
CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
COc1ccc2[nH]c3CN4CCc5cc(OC)c(OCc6ccccc6)cc5C4Cc3c2c1
C1Oc2cc3CCN4Cc5[nH]c6ccccc6c5CC4c3cc2O1
Fc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1
COc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1
COc1cccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c12
Oc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1
[H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31 |r|
[H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccccc31 |r|
COc1ccc2c3CC4N(CCc5cc6OCOc6cc45)Cc3[nH]c2c1
CCCOc1cc2C3Cc4c(CN3CCc2cc1OC)[nH]c1ccc(OC)cc41
CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
COc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(OC)c(OC)c1
COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1
COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cc(Cl)ccc2F)CC1
CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1
COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
COc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1cncc2ccccc12
COc1ccc(cc1OC)S(=O)(=O)NCC1CCN(CCOc2ccccc2OC)CC1
COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cncc3ccccc23)CC1
CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1
COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1
CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1
COc1ccccc1N1CCN(CCc2ccccc2)CC1
CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1
COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1
CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
OC(=O)c1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
C(COc1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
C(COc1ccc(CCCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
OC(=O)c1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc2c1
OC(=O)c1ccc2cccnc2c1N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
OC(=O)CCc1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
OC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
OC(=O)CCc1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
OC(=O)\C=C\c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
N#Cc1ccc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc12
OC(=O)c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1
OC(=O)c1ccnc2c(cccc12)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
CCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1
COc1cccc(OC)c1OCCNCC1COC2(CCCCC2)O1
COc1ccccc1OCCNCC1CSC2(CCCCC2)O1
C(COc1ccccc1)NCC1COC2(CCCCC2)O1
COc1ccccc1OCCNCC1COC2(CCCCC2)O1
C(COc1ccccc1)NCC1CSC2(CCCCC2)O1
COc1ccccc1OCCNCC1CSC2(CCCCC2)S1
COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1
C(COc1ccccc1)NCC1CSC2(CCCCC2)S1
COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1
C1CN=C(O1)N1CCOCC1 |c:2|
C1CN=C(NC2CCCCCC2)O1 |t:2|
C1COC(NC2CCCc3ccccc23)=NC1 |c:16|
C1CC1C(NC1=NCCO1)C1CC1 |t:6|
C1CN=C(NC2CCCc3ccccc23)O1 |t:2|
CCC[C@H]1CCCCC1NC1=NCCO1 |t:11|
Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|
Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|
COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
CC1CN=C(Nc2ccc3nccnc3c2Br)N1 |t:3|
Brc1c(NC2=NCCO2)ccc2nccnc12 |t:4|
Ic1c(NC2=NCCN2)ccc2nccnc12 |t:4|
Clc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
[H][C@]12CCCC[C@@]1([H])N=C(Nc1ccc3nccnc3c1Br)N2 |t:9|
C1CN=C(Nc2ccc3nccnc3c2)N1 |t:2|
Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 |t:9|
[#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
CS(=O)(=O)Oc1ccc2CN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)Cc2c1 |wU:16.19,wD:13.12,(-.65,-16.53,;-.63,-15,;-2.01,-14.31,;-.33,-13.47,;.91,-14.92,;2.24,-14.15,;2.24,-12.6,;3.57,-11.83,;4.9,-12.58,;6.37,-12.09,;7.29,-13.35,;8.62,-12.58,;9.96,-13.35,;11.29,-12.56,;12.62,-13.33,;13.94,-12.56,;13.94,-11.02,;12.62,-10.25,;11.29,-11.02,;15.28,-10.27,;16.61,-11.04,;16.61,-12.58,;17.94,-10.27,;19.27,-11.04,;20.6,-10.27,;21.93,-11.04,;23.27,-10.27,;23.27,-8.73,;24.36,-7.64,;21.93,-7.96,;20.6,-8.73,;6.39,-14.61,;4.91,-14.14,;3.58,-14.92,)|
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
[H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC
O=c1oc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Fc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc2cc[nH]c2c1 |r|
Clc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Oc1nc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1cc2ccccc2[nH]1)c1ccc2cc[nH]c2c1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
[H][C@@]1(O)NC(=O)N(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)C(=O)[C@]1(C)O
FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]cc(c2=O)C(F)(F)F)CC1
Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
OCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
CN(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(Cl)c3=O)CC2)c(OCC(F)(F)F)c1
Fc1ccc(N2CCN(CCCN3C(=O)CCNC3=O)CC2)c(OCC(F)(F)F)c1
CCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Cc1cn(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)[nH]c1=O
CC(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
Cc1cc(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c(=O)[nH]1
Fc1ccc(N2CCN(CCCn3c(=O)cc[nH]c3=O)CC2)c(OCC(F)(F)F)c1
Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
Cc1c[nH]c(=O)n(CC2(CN3CCN(CC3)c3ccccc3OCC(F)(F)F)CC2)c1=O
Cc1c[nH]c(=O)n(CCCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(F)c3=O)CC2)c(OCC(F)(F)F)c1
COc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
CCCNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1 |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1 |r|