4625 SMILES Strings for 5-hydroxytryptamine receptor 7

Compound Name
SMILES String
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
CC(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
OS(=O)(=O)CCCCN1c2ccccc2Sc2ccc(Cl)cc12
Clc1ccc2Sc3ccccc3N(CCCCN3CCOCC3)c2c1
OC(=O)C#CCN1c2ccccc2Sc2ccc(Cl)cc12
OC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
COC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
CCC1(CC)CC(CCN2CCN(CC2)c2ccc(O)cc2)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccc(cc2)C#N)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccc(C)cc2)OC1=O
CCC1(CC)CC(CCN2CCN(CCc3ccccc3)CC2)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccccc2O)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2cccc(OC)c2)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2cccc(O)c2)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccccn2)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2c(C)cccc2C)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccccc2)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccc(N)cc2)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)C2CCCCC2)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccccc2C(C)C)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)C(c2ccccc2)c2ccccc2)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccccc2C)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccc(C)cc2C)OC1=O
CCC1(CC)CC(CCN2CCc3ccccc3C2)OC1=O
CC1(C)CC(CCN2CCN(CC2)c2ccccc2C#N)OC1=O
COc1ccc(cc1)N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
Oc1cccc(c1)N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
O=C1OC(CCN2CCN(CC2)c2ccccc2)CC11CCCCC1
COc1cccc(c1)N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
COc1ccccc1N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
Oc1ccccc1N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
O=C1OC(CCN2CCN(CC2)c2ccccn2)CC11CCCCC1
Clc1ccccc1N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
Clc1ccc(cc1)N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
FC(F)(F)c1ccc(cc1)N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
Oc1ccc(cc1)N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
O=C1OC(CCN2CCN(CC2)c2cccnc2)CC11CCCCC1
O=C1OC(CCN2CCN(CC2)c2ccc(cc2)C#N)CC11CCCCC1
O=C1OC(CCN2CCN(CC2)c2ccc(cn2)C#N)CC11CCCCC1
FC(F)(F)c1ccc(nc1)N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
Clc1ccc(nc1)N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
CCC1(CC)CC(CCN2CCN(CC2)c2ccc(cc2)C(O)(c2ccccc2)c2ccccc2)OC1=O
[#6]-[#6]C1([#6]-[#6])[#6]-[#6](-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6](\c2ccccc2)-c2ccccc2)-[#8]-[#6]1=O
CC(C)c1ccccc1N1CCN(CCC2CC3(CCCC3)C(=O)O2)CC1
CC(C)(C)c1ccccc1N1CCN(CCC2CC3(CCCC3)C(=O)O2)CC1
O=C1OC(CCN2CCN(CC2)c2ccccc2N2CCOCC2)CC11CCCC1
CCC1(CC)CC(CCN2CCN(CC2)c2ccccc2OC)OC1=O
Cc1ccc(cc1)N1CCN(CCC2CC(C(=O)O2)(c2ccccc2)c2ccccc2)CC1
Cc1ccc(cc1)N1CCN(CCCC2CC(C(=O)O2)(c2ccccc2)c2ccccc2)CC1
NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12
CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Oc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
[O-][N+](=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Clc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1C#N)NC1CCCc2ccccc12
NC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CS(=O)(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NC1CCCc2ccccc12
CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CC(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CS(=O)(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Fc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
O=C(CCCCCN1CCN(CC1)c1ccccn1)NC1CCCc2ccccc12
[O-][n+]1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
c1cc2c(cc1C(=O)N)c(c[nH]2)CCN
NCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCCNC1
O=c1n(CCN2CCN(CC2)c2ccccc2)c2ccccc2n1-c1ccccc1
Cc1ccccc1-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O |(-8.51,-1.07,;-10.03,-.82,;-11.01,-2.01,;-12.53,-1.76,;-13.07,-.32,;-12.09,.87,;-10.57,.62,;-9.66,1.86,;-10.13,3.38,;-11.54,4.01,;-11.7,5.54,;-10.46,6.45,;-9.05,5.82,;-8.89,4.29,;-7.64,3.33,;-6.31,4.1,;-4.97,3.33,;-3.64,4.1,;-3.64,5.64,;-2.31,6.41,;-.97,5.64,;-.97,4.1,;-2.31,3.32,;.36,6.41,;.36,7.95,;1.69,8.72,;3.03,7.95,;3.03,6.41,;1.69,5.64,;-8.12,1.86,;-7.21,.61,)|
COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O
COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O
Cc1ccccc1N1CCN(CCn2c3ccccc3n(-c3ccccc3)c2=O)CC1
Cc1ccccc1N1CCN(CCn2c3ccccc3n(-c3ccccc3C)c2=O)CC1 |(1.69,4.1,;1.69,5.64,;3.03,6.41,;3.03,7.95,;1.69,8.72,;.36,7.95,;.36,6.41,;-.97,5.64,;-2.31,6.41,;-3.64,5.64,;-3.64,4.1,;-4.97,3.33,;-6.31,4.1,;-7.64,3.33,;-8.89,4.29,;-9.05,5.82,;-10.46,6.45,;-11.7,5.54,;-11.54,4.01,;-10.13,3.38,;-9.66,1.86,;-10.57,.62,;-12.09,.87,;-13.07,-.32,;-12.53,-1.76,;-11.01,-2.01,;-10.03,-.82,;-8.51,-1.07,;-8.12,1.86,;-7.21,.61,;-2.31,3.32,;-.97,4.1,)|
COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2C)c1=O
COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2OC)c1=O
COc1ccc(cc1)-n1c2ccccc2n(CCCN2CCN(CC2)c2ccccc2OC)c1=O
COc1ccc(cc1)-n1c2ccccc2n(CCCCN2CCN(CC2)c2ccccc2OC)c1=O
O=c1[nH]c2ccccc2n1CCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
O=c1[nH]c2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCn2c3ccccc3[nH]c2=O)CC1
O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
O=c1[nH]c2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCCn2c3ccccc3[nH]c2=O)CC1
Clc1cccc(c1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Clc1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
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,)|
Brc1ccc(OCc2ccccc2)c(OC2CNC2)c1
Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1
Clc1cccc(COc2ccc(Br)cc2OC2CN(C2)C2CCC2)c1
CCCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
CC(C)N1CC(C1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
CCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
FC(F)(F)Oc1cccc(COc2ccc(Br)cc2OC2CNC2)c1
FC(F)(F)c1cccc(COc2ccc(Br)cc2OC2CNC2)c1
Brc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1
FC(F)(F)c1ccc(COc2ccc(Br)cc2OC2CNC2)o1
FC(F)(F)Oc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl
Fc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl
COc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl
Clc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1
Clc1ccccc1COc1ccc(Br)cc1OC1CNC1
CN1CC(C1)Oc1cc(Br)ccc1OCc1ccccc1Cl
Fc1cccc(COc2ccc(Br)cc2OC2CNC2)c1
CCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1
CCCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1
CC(C)N1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1
Fc1cccc(COc2ccc(Br)cc2OC2CN(C2)C2CCC2)c1
Clc1cccc(COc2cc(Br)ccc2OC2CNC2)c1
Clc1cccc(COc2cc(Br)ccc2OC2CN(C2)C2CCC2)c1
CC(C)N1CC(C1)Oc1ccc(Br)cc1OCc1cccc(Cl)c1
Fc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1
CSc1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
CS(=O)(=O)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(OCc2csc(n2)-c2cccs2)c(OC2CNC2)c1
Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1
Cc1cc(COc2ccc(Cl)cc2OC2CNC2)no1
Cc1nc(no1)-c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
FC(F)(F)c1ccccc1COc1ccc(Cl)cc1OC1CNC1
COc1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1
Clc1ccc(OCc2ccccc2Cl)c(OC2CNC2)c1
Clc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1
Clc1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
CN1CC(C1)Oc1cc(Cl)ccc1OCc1cccc(Cl)c1
FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(OCc2ccccc2)c(OC2CNC2)c1
FC(F)(F)Oc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1Cl
FC(F)(F)Oc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1
FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1
Clc1ccc(OCc2ccc(cc2)C#N)c(OC2CNC2)c1
FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CNC2)c(c1)C(F)(F)F
FC(F)(F)Sc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1
Fc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1C(F)(F)F
Fc1cc(ccc1COc1ccc(Cl)cc1OC1CNC1)C(F)(F)F
FC(F)(F)c1cc(COc2ccc(Cl)cc2OC2CNC2)ccc1Cl
Clc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC2CNC2)c1
Clc1ccc(OCc2ccccn2)c(OC2CNC2)c1
Clc1ccc(OCc2cccnc2)c(OC2CNC2)c1
Clc1ccc(OCc2ccncc2)c(OC2CNC2)c1
FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CNC2)o1
CCOC(=O)c1ccc(COc2ccc(Cl)cc2OC2CNC2)o1
CS(=O)(=O)c1cc(Cl)ccc1COc1ccc(Cl)cc1OC1CNC1
Fc1ccc(COc2ccc(Cl)cc2OC2CNC2)c(F)c1
Clc1cccc(COc2ccc(Cl)cc2O[C@@H]2CCNC2)c1 |r|
CN1CC[C@H](C1)Oc1cc(Cl)ccc1OCc1cccc(Cl)c1 |r|
Clc1ccc(OCc2ccccc2Cl)c(O[C@@H]2CCNC2)c1 |r|
CN1CC[C@H](C1)Oc1cc(Cl)ccc1OCc1ccccc1Cl |r|
Clc1ccc(OCc2ccccc2)c(OC2CCNCC2)c1
FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CCNCC2)o1
FC(F)(F)c1ccc(COc2ccc(Br)cc2OC2CCNCC2)o1
Clc1cccc(COc2ccc(Br)cc2OC2CCNCC2)c1
CN1CCC(CC1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
Fc1ccccc1COc1ccc(Br)cc1OC1CCNCC1
Fc1cccc(COc2ccc(Br)cc2OC2CCNCC2)c1
FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CCCNC2)o1
Clc1ccc(OCc2ccccc2)c(OC2CCCNC2)c1
FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CCCNC2)c1
Clc1ccc(OC2CCCC2)c(OC2CNC2)c1
Clc1ccc(OCC2CCCCC2)c(OC2CNC2)c1
Brc1ccc(OCC2CCCCC2)c(OC2CNC2)c1
OC(=O)c1cc(COc2ccc(Cl)cc2OC2CNC2)oc1C(F)(F)F
CCOC(=O)c1cc(COc2ccc(Cl)cc2OC2CNC2)oc1C(F)(F)F
CN1CC(C1)Oc1cc(Cl)ccc1OCc1cc(CO)c(o1)C(F)(F)F
Cc1cc(COc2ccc(Cl)cc2OC2CNC2)c(o1)C(F)(F)F
FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)n1
Cc1nc(ccc1COc1ccc(Cl)cc1OC1CNC1)C(F)(F)F
FC(F)(F)c1ccnc(COc2ccc(Cl)cc2OC2CNC2)c1
FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CNC2)cn1
Clc1ccc(OCc2ccc3occc3c2)c(OC2CNC2)c1
Clc1ccc(OCc2ccc3ncsc3c2)c(OC2CNC2)c1
Cn1nnc2ccc(COc3ccc(Cl)cc3OC3CNC3)cc12
FC1(F)Oc2ccc(COc3ccc(Cl)cc3OC3CNC3)cc2O1
Clc1ccc(OCc2cnco2)c(OC2CNC2)c1
Clc1ccc(OCc2nccs2)c(OC2CNC2)c1
Clc1ccc(OCc2cc3ccccc3o2)c(OC2CNC2)c1
Clc1ccc(O[C@@H]2CCNC2)c(OCc2ccccc2)c1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1OCc1ccccc1 |r|
Clc1cccc(COc2cc(Cl)ccc2O[C@@H]2CCNC2)c1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1OCc1cccc(Cl)c1 |r|
Clc1cccc(COc2cc(Cl)ccc2O[C@H]2CCNC2)c1 |r|
CN1CCC(C1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
COc1cccc(COc2ccc(Br)cc2OC2CCN(C)C2)c1
CN1CCC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1
CN1CCC(C1)Oc1cc(Br)ccc1OCc1ccccc1
CN1CCC(C1)Oc1cc(Br)ccc1OCc1cccc(OS(C)(=O)=O)c1
CN1CCC(C1)Oc1ccccc1OCc1cccc(OS(C)(=O)=O)c1
C[C@@H](Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C(F)(F)F |r|
C[C@H](Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C(F)(F)F |r|
C[C@H](Oc1ccc(Cl)cc1OC1CN(C)C1)c1cccc(c1)C(F)(F)F |r|
C[C@H](Oc1ccc(Cl)cc1OC1CN(Cc2ccccc2)C1)c1cccc(c1)C(F)(F)F |r|
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C(F)(F)F
CC(C)N1CC(C1)Oc1cc(Cl)ccc1OC(C)c1cccc(c1)C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CN(C1)C1CCC1)c1cccc(c1)C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CN(Cc2ccccc2)C1)c1cccc(c1)C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CN(C)C1)c1cccc(c1)C(F)(F)F
CC(Oc1ccc(Br)cc1OC1CNC1)c1cccc(OC(F)(F)F)c1
CC(Oc1ccc(Br)cc1OC1CNC1)c1cccc(Cl)c1
CC(Oc1ccc(Br)cc1OC1CNC1)c1cccc(c1)C(F)(F)F
C[C@@H](Oc1ccc(Br)cc1OC1CNC1)c1cccc(c1)C(F)(F)F |r|
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cccc(Cl)c1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cccc(F)c1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccccc1Cl
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccc(F)c(c1)C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccc(c(F)c1)C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cc(F)cc(c1)C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cccc(SC(F)(F)F)c1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccccc1F
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccccc1C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccc(Cl)cc1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccc(F)cc1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C#N
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccc(Cl)c(Cl)c1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cccc(OC(F)(F)F)c1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccc(F)c(F)c1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cc(Cl)ccc1Cl
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cc(F)ccc1F
CC(Oc1ccc(Cl)cc1OC1CNC1)c1nc2ccccc2s1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cncs1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1nccs1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1sc(C)nc1C
C[C@@H](Oc1ccc(Cl)cc1OC1CCNCC1)c1cccc(c1)C(F)(F)F |r|
CC(Oc1ccc(Cl)cc1OC1CCNCC1)c1cccc(Cl)c1
CC(Oc1ccc(Cl)cc1OC1CCNCC1)c1cccc(OC(F)(F)F)c1
CC(Oc1ccc(Cl)cc1OC1CCNCC1)c1ccccc1F
C[C@@H](Oc1ccc(Cl)cc1OC1CCCNC1)c1cccc(c1)C(F)(F)F |r|
CCC(Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C(F)(F)F
CCC(Oc1ccc(Cl)cc1OC1CCNCC1)c1cccc(c1)C(F)(F)F
FCC(Oc1ccc(Br)cc1OC1CNC1)c1ccccc1
FCC(Oc1ccc(Cl)cc1OC1CNC1)c1ccccc1
FCC(Oc1ccc(Cl)cc1OC1CCNCC1)c1ccccc1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccccc1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccc(o1)C(F)(F)F
CCC(Oc1ccc(Cl)cc1OC1CNC1)c1ccccc1
OCC(Oc1ccc(Cl)cc1OC1CNC1)c1ccccc1
OC(=O)C(Oc1ccc(Cl)cc1OC1CNC1)c1ccccc1
Fc1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Brc1ccc(OC2CCc3ccccc23)c(OC2CNC2)c1
Clc1ccc2C(CCc2c1)Oc1ccc(Br)cc1OC1CNC1
Clc1ccc2CCC(Oc3ccc(Br)cc3OC3CNC3)c2c1
Fc1ccc2C(CCc2c1)Oc1ccc(Br)cc1OC1CNC1
Cc1ccc2C(CCc2c1)Oc1ccc(Br)cc1OC1CNC1
Cc1ccc2CCC(Oc3ccc(Br)cc3OC3CNC3)c2c1
FC(F)(F)c1ccc2CCC(Oc3ccc(Br)cc3OC3CNC3)c2c1
Cc1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Clc1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
FC(F)(F)c1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Clc1ccc(OC2CCCc3ccccc23)c(OC2CNC2)c1
CC(C)(C)c1ccc2C(CCc2c1)Oc1ccc(Br)cc1OC1CNC1
Clc1ccc(OCC2CCOC2)c(OC2CNC2)c1
Clc1ccc(OC2CCc3ccccc3C2)c(OC2CNC2)c1
Clc1ccc(OCC2CCc3ccccc3O2)c(OC2CNC2)c1
Clc1ccc(OCC2CCCO2)c(OC2CNC2)c1
Clc1ccc(OCC2COc3ccccc3C2)c(OC2CNC2)c1
COC(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
Clc1ccc(OCC2Cc3ccccc3O2)c(OC2CNC2)c1
Cc1cc(COc2ccc(Cl)cc2OC2CNC2)n(C)n1
Clc1ccc(OCCOc2ccccc2)c(OC2CNC2)c1
Fc1cccc(COc2ccc(Br)cc2OC2CN(C2)c2ccccc2)c1
Clc1ccc(OC2Cc3ccccc3C2)c(OC2CNC2)c1
Brc1ccc(OC2Cc3ccccc3C2)c(OC2CNC2)c1
Fc1ccc2CC(Cc2c1)Oc1ccc(Cl)cc1OC1CNC1
Clc1ccc2CC(Cc2c1)Oc1ccc(Cl)cc1OC1CNC1
COc1ccc2CC(Cc2c1)Oc1ccc(Cl)cc1OC1CNC1
COc1cccc2CC(Cc12)Oc1ccc(Cl)cc1OC1CNC1
O\N=C1/C(Cc2ccccc12)Oc1ccc(Cl)cc1OC1CNC1
CO\N=C1/C(Cc2ccccc12)Oc1ccc(Cl)cc1OC1CNC1
O\N=C(/COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
CO\N=C(/COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
Clc1ccc(cc1)C(=O)COc1ccc(Cl)cc1OC1CNC1
FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
Clc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(OCCc2ccccc2)c(OC2CNC2)c1
FC(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
Clc1ccc(cc1)C1(COc2ccc(Cl)cc2OC2CNC2)CCC1
Clc1cccc(c1)C1(COc2ccc(Cl)cc2OC2CNC2)CCC1
COc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Fc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
Fc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
COc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
Brc1ccc(OCCc2ccccc2)c(OC2CNC2)c1
Clc1cnc(OCc2ccccc2)c(OC2CNC2)c1
Fc1cc(Cl)cc(OC2CNC2)c1OCc1ccccc1
Fc1cc(Cl)cc(OC2CNC2)c1OCc1ccc(o1)C(F)(F)F
FC(F)(F)c1ccc(COc2ccc(cc2OC2CNC2)C(F)(F)F)o1
C[C@@H](Oc1ccc(cc1OC1CNC1)C(F)(F)F)c1cccc(c1)C(F)(F)F |r|
FC(F)(F)c1ccc(OCc2ccccc2)c(OC2CNC2)c1
Fc1ccc(OCc2cccc(Cl)c2)c(OC2CNC2)c1
CN1CC(C1)Oc1cc(F)ccc1OCc1cccc(Cl)c1
CC(C)N1CC(C1)Oc1cc(F)ccc1OCc1cccc(Cl)c1
Fc1ccc(OCc2cccc(Cl)c2)c(OC2CN(C2)C2CCC2)c1
CCCN1CC(C1)Oc1cc(F)ccc1OCc1cccc(Cl)c1
CCN1CC(C1)Oc1cc(F)ccc1OCc1cccc(Cl)c1
Fc1ccc(OCc2ccc(o2)C(F)(F)F)c(OC2CNC2)c1
CC(C)N1CC(C1)Oc1cc(F)ccc1OCc1ccc(o1)C(F)(F)F
Clc1cccc(COc2ccc(cc2OC2CNC2)-c2ccsc2)c1
CN(C)C(=O)c1ccc(OCc2cccc(Cl)c2)c(OC2CNC2)c1
CC1(CNC1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
CCC1(CNC1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
CC(C)C1(CNC1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
CC1(CNC1)Oc1cc(Br)ccc1OCCc1ccccc1
CC1(CNC1)Oc1cc(Br)ccc1OCc1ccc(o1)C(F)(F)F
CC1(CNC1)Oc1cc(Br)ccc1OCc1cccc(c1)C(F)(F)F
CC1(CNC1)Oc1cc(Br)ccc1Oc1ccccc1
C[C@@H]1NC[C@H]1Oc1cc(Br)ccc1OCc1cccc(F)c1 |r|
C[C@@H]1[C@@H](CN1Cc1ccccc1)Oc1cc(Br)ccc1OCc1cccc(F)c1 |r|
C[C@H]1[C@@H](CN1Cc1ccccc1)Oc1cc(Br)ccc1OCc1cccc(F)c1 |r|
Clc1ccc(OC2CN(C2)c2ccccc2)c(OC2CNC2)c1
C[C@@H]1[C@H](CN1Cc1ccccc1)Oc1ccc(Cl)cc1OC1CNC1 |r|
CC(C)N1CC(C1)Oc1ccc(Cl)cc1OC1CNC1
Clc1ccc(OC2CN(C2)C(c2ccccc2)c2ccccc2)c(OC2CNC2)c1
Clc1ccc(OC2CNC2)c(OC2CNC2)c1
CC(C)N1CC(C1)Oc1ccc(Cl)cc1OC1CN(C1)C(C)C
Clc1ccc(OC2CC(C2)c2ccccc2)c(OC2CNC2)c1 |(-6.12,.85,;-4.63,.45,;-3.55,1.54,;-2.06,1.14,;-1.66,-.35,;-.17,-.74,;.92,.35,;2.46,.35,;2.46,1.89,;.92,1.89,;3.55,2.97,;5.03,2.58,;6.12,3.66,;5.72,5.15,;4.24,5.55,;3.15,4.46,;-2.75,-1.43,;-2.35,-2.92,;-3.44,-4.01,;-4.98,-4.01,;-4.98,-5.55,;-3.44,-5.55,;-4.24,-1.04,)|
CC(C)(C)N1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1
CC(C)(C)N1CC(C1)Oc1cc(Cl)ccc1OCc1cccc(c1)C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CN(C1)C(C)(C)C)c1cccc(c1)C(F)(F)F
FC(F)(F)c1ccc(COc2ccc(Br)cc2CC2CNC2)o1
Clc1cccc(COc2ccc(Br)cc2OCC2CNC2)c1
CN1CC(COc2cc(Br)ccc2OCc2cccc(Cl)c2)C1
OC1(COc2cc(Br)ccc2OCc2cccc(Cl)c2)CNC1
CC(Oc1cc(Br)ccc1OCc1cccc(Cl)c1)C1(O)CNC1
Clc1cccc(COc2ccc(Br)cc2COC2CNC2)c1
Clc1cccc(COc2ccc(Cl)cc2COC2CNC2)c1
Cc1noc(COc2ccc(Cl)cc2OC2CNC2)n1
Clc1ccc(OCc2nc(no2)C2CCC2)c(OC2CNC2)c1
Clc1ccc(OCc2nc(no2)C2CC2)c(OC2CNC2)c1
CC(C)c1noc(COc2ccc(Cl)cc2OC2CNC2)n1
CCc1noc(COc2ccc(Cl)cc2OC2CNC2)n1
Brc1ccc(Oc2ccccc2)c(OC2CNC2)c1
Brc1cccc(Oc2ccc(Br)cc2OC2CNC2)c1
COc1cccc(Oc2ccc(Br)cc2OC2CNC2)c1
Fc1ccc(Oc2ccc(Br)cc2OC2CNC2)cc1
Brc1ccc(Oc2ccc(Br)cc2OC2CNC2)cc1
Clc1ccc(Oc2ccc(Br)cc2OC2CNC2)cc1
Clc1cccc(Oc2ccc(Br)cc2OC2CNC2)c1
FC(F)(F)Oc1cccc(Oc2ccc(Br)cc2OC2CNC2)c1
Brc1ccc(Oc2ccc3ccccc3c2)c(OC2CNC2)c1
Brc1ccc(Oc2cccc3ccccc23)c(OC2CNC2)c1
Clc1ccc(Oc2ccccc2)c(OC2CNC2)c1
Clc1cccc(Oc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(Oc2ccc(Cl)cc2OC2CNC2)cc1
Cc1ccccc1Oc1ccc(Cl)cc1OC1CNC1
Clc1ccc(Oc2ccc3ccccc3c2)c(OC2CNC2)c1
Clc1ccc(Oc2nc3ccccc3s2)c(OC2CNC2)c1
Clc1ccc(Oc2nc3ccccc3o2)c(OC2CNC2)c1
Clc1ccc(Oc2ccc3cccnc3n2)c(OC2CNC2)c1
Clc1ccc(Oc2cc3ccccc3cn2)c(OC2CNC2)c1
Clc1ccc(Oc2ccccc2)c(OC2CCNCC2)c1
Cc1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
Cc1ccc(Oc2cc(Cl)ccc2O[C@@H]2CCNC2)cc1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1Oc1ccc(C)cc1 |r|
Fc1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
Fc1ccc(Oc2cc(Cl)ccc2O[C@@H]2CCNC2)cc1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1Oc1ccc(F)cc1 |r|
Cc1ccccc1Oc1cc(Cl)ccc1O[C@H]1CCNC1 |r|
Cc1cccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)c1 |r|
Cc1cc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)ccc1F |r|
Clc1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
Clc1cccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)c1 |r|
Clc1ccc(O[C@H]2CCNC2)c(Oc2ccc(Br)cc2)c1 |r|
CC(C)c1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
CCN1CCC(C1)Oc1cc(Br)ccc1Oc1cccc(Br)c1
Brc1ccc(C(=O)c2ccccc2)c(OC2CNC2)c1
Clc1ccc(cc1)C(=O)c1ccc(Br)cc1OC1CNC1
Clc1cccc(c1)C(=O)c1ccc(Br)cc1OC1CNC1
CN1CC(C1)Oc1cc(Br)ccc1C(=O)c1cccc(Cl)c1
Cc1cccc(c1)C(=O)c1ccc(Br)cc1OC1CNC1
Cc1ccccc1C(=O)c1ccc(Br)cc1OC1CNC1
COc1cccc(c1)C(=O)c1ccc(Br)cc1OC1CNC1
Brc1ccc(C(=O)c2ccc3ccccc3c2)c(OC2CNC2)c1
CC(C)N1CC(C1)Oc1cc(Br)ccc1C(=O)c1ccc2ccccc2c1
Brc1ccc(C(=O)c2ccc3OCOc3c2)c(OC2CNC2)c1
CC(C)N1CC(C1)Oc1cc(Br)ccc1C(=O)c1ccc2OCOc2c1
COc1ccc(cc1)C(=O)c1ccc(Br)cc1OC1CNC1
Fc1cc(ccc1Cl)C(=O)c1ccc(Br)cc1OC1CNC1
Clc1ccc(cc1Cl)C(=O)c1ccc(Br)cc1OC1CNC1
Clc1ccc(C(=O)c2ccc3ccccc3c2)c(OC2CNC2)c1
Clc1ccc(C(=O)c2ccc3OCOc3c2)c(OC2CNC2)c1
CC(C)N1CC(C1)Oc1cc(Cl)ccc1C(=O)c1ccc2OCOc2c1
Clc1ccc(cc1)C(=O)c1ccc(Cl)cc1OC1CNC1
Clc1cccc(c1)C(=O)c1ccc(Cl)cc1OC1CNC1
c1ccccc1
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C2CCCN2C1=O)C(C)C |c:27|
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
ClCCN(Cc1ccccc1)Cc1ccccc1
c1cc(c(cc1CCN)O)O
CNCC(O)c1ccc(O)c(O)c1
[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:36|
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41|
CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C
C(CC(=O)O)CN
C(C(=O)O)N
CC(C)NCC(O)c1ccc(O)c(O)c1
NC(CCC([O-])=O)C([O-])=O
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8
C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O
C(C1=NCCN1)c1cccc2ccccc12 |t:1|
NCC(O)c1ccc(O)c(O)c1
O=C1CCCN1CC#CCN1CCCC1
Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C
CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
C[NH2+]C[C@H](O)c1cccc(O)c1
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
[O-][N+]12CCC34C1CC1C5C3N(c3ccccc43)C(=O)CC5OCC=C1C2 |c:28|
C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC
COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
C(C1COc2ccccc2O1)N1CCCCC1
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
C(C1=NCCN1)c1ccccc1 |t:1|
[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\c1cccc2-[#6]-[#6]-[#6]-[#6]-c12
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Cc1[nH]c2ccc(O)cc2c1CCN
NCCc1c[nH]c2ccc(O)cc12
COc1ccc2c(c1)c(c[nH]2)CCN
CCCN(CCC)C1CCc2cccc(O)c2C1
CN(C)CCc1c[nH]c2c1cc(cc2)O
CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
CN(C)CCc1c[nH]c2c1cc(cc2)OC
CNCCc1c[nH]c2ccc(O)cc12
COc1ccc2c(c1)[nH]cc2CCN
Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(N)=O
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
CN1CCN2c3ccccc3Cc4ccccc4[C@H]2C1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
CC(=O)N(Br)C1(C)CCC(CC1)C(C)(C)NCC(O)COc1cccc2[nH]ccc12 |(4,2.14,;5.52,2.41,;6.05,3.86,;6.51,1.23,;8.03,1.5,;5.98,-.22,;7.5,-.48,;5.98,-1.76,;4.65,-2.53,;3.32,-1.76,;3.32,-.22,;4.65,.55,;1.98,-2.53,;2.75,-3.86,;.65,-3.3,;1.21,-1.19,;-.33,-1.19,;-1.1,-2.53,;-.33,-3.86,;-2.64,-2.53,;-3.41,-1.19,;-4.95,-1.19,;-5.72,-2.53,;-7.26,-2.53,;-8.03,-1.19,;-7.26,.14,;-7.73,1.61,;-6.49,2.51,;-5.24,1.61,;-5.72,.14,)|
CC(C)NCC(O)COc1cccc2[nH]ccc12
Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl
[#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
NCCc1c[nH]c2ccccc12
CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1
CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[N+](C)([O-])CCCN1c2ccccc2Sc2ccc(Cl)cc12
CN(C)CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12
CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(Cl)cc12 |t:8|
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1O |c:8,15|
CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12 |t:8|
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1 |c:12,t:5|
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(c(c3)C(F)(F)F)Cl)O)c4ccc(cc4)F)F
CN1CCN(CC1)C1=Nc2ccccc2Cc2ccccc12 |t:8|
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8|
CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
CN1CCN(CC1)C1=Nc2cscc2C(=CC#N)c2cscc12 |w:15.17,t:8|
CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
OC1(CCN(CC1)C(F)CCC(=O)c1ccccc1)c1cccc(c1)C(F)(F)F
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
C1CN(CCN1)c1cccc2ccccc12
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
CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c4c(cccc4[nH]c3Br)C2=C1)C
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
NCCc1cnc[nH]1
COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
COc1ccccc1N1CCNCC1
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17|
CC(C)n1c2ccccc2n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c1=O
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
CN1C2CCC1CC(C2)NC(=O)n1c2ccccc2[nH]c1=O |TLB:9:7:1:3.4|
COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17|
CNCCCN1c2ccccc2CCc3c1cccc3
CCNC(C)Cc1cccc(c1)C(F)(F)F
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
C1CN=C(N1)C1COc2ccccc2O1 |c:2|
CN(C)CCCN1c2ccccc2CCc3c1cccc3
CN1C2CCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:9:7:1:3.4|
Clc1cccc(c1)N1CCNCC1
CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc(Cl)c1 |THB:9:7:1:3.4|
CC(=O)NCCc1c[nH]c2c1cc(cc2)OC
[NH3+]CC(O)c1ccc(O)cc1
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
C1CN(CCN1)c1ccc2ccccc2n1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2 |TLB:12:13:17.18.19:21|
FC(F)(F)c1cccc(c1)N1CCNCC1
CCCN(CCC)C1CCc2ccc(O)cc2C1
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
CC(C)(C)NCC(O)COc1cccc2[nH]c(cc12)C#N
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)C3CC4C(Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)C2CCCN2C1=O)C(C)C
CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Fc1ccc(cc1)N1CNC(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
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
OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C
NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
CCCCCCOc1c(nsn1)C2=CCCN(C2)C
Cc1c(O)ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
Cc1cccc(N2CCN(CCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1C
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1
COc1cccc(c1)S(=O)(=O)N1CCC[C@@H]1CCN1CCC(C)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(CCC2CCCCC2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@@H]2CCCCC2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
O=C(NC1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wD:6.6,(-3.87,-1.76,;-3.86,-3.3,;-2.52,-4.08,;-1.18,-3.3,;-1.19,-1.76,;.15,-.99,;1.48,-1.76,;2.83,-.99,;4.16,-1.76,;5.49,-.99,;5.49,.54,;6.84,1.31,;8.17,.53,;9.5,1.3,;10.83,.53,;10.81,-1.01,;9.48,-1.78,;8.16,-1.01,;6.84,-1.78,;12.17,1.29,;13.5,2.07,;1.48,-3.3,;.15,-4.08,;-5.19,-4.09,;-5.19,-5.64,;-6.54,-6.41,;-7.87,-5.64,;-7.87,-4.09,;-9.19,-3.33,;-9.2,-1.81,;-7.87,-1.03,;-6.54,-1.78,;-6.54,-3.33,)|
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
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
Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12
O=C1Nc2cccc3ccc(CCCCN4CCC(=CC4)c4ccccc4)c1c23 |c:18|
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|
CNCCC(Oc1ccccc1C)c1ccccc1
CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|
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
CC(N)C(=O)c1ccccc1
CNC(C)C(O)c1ccccc1
CNC(C)C(=O)c1ccccc1
CC(N)C(O)c1ccccc1
CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
CCCN(CCC)CCc1cccc2NC(=O)Cc12
CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
COc1ccc(cc1OC1CNC1)-c1ccccc1C(F)(F)F
COc1ccc(cc1OC1CNC1)-c1ccc(F)cc1C
COc1ccc(cc1OC1CNC1)-c1ccccc1C#N
COc1ccc(cc1OC1CNC1)-c1cccc(C)c1C
COc1ccc(cc1OC1CNC1)-c1cccc(F)c1C
COc1ccc(cc1OC1CNC1)-c1c(C)cccc1C
COc1ccc(cc1OC1CNC1)-c1ccccc1OC(F)(F)F
COc1ccc(cc1OC1CNC1)-c1ccccc1C
COc1ccc(cc1OC1CNC1)-c1ccccc1OC
COc1ccc(cc1OC1CNC1)-c1c(Cl)cccc1C(F)(F)F
COc1ccc(cc1OC1CNC1)-c1ccc(C)cc1
COc1ccc(cc1OC1CNC1)-c1ccc(F)c(C)c1
COc1ccc(cc1OC1CNC1)-c1cccc(C)c1
COc1ccc(cc1OC1CNC1)-c1ccc(C)c(C)c1
COc1ccc(cc1OC1CNC1)-c1ccccc1
COc1ccc(cc1OC1CNC1)-c1cc(C)ccc1C
COc1ccc(cc1OC1CNC1)-c1ccccc1Cl
COc1ccc(cc1OC1CN(C1)C(C)C)-c1ccccc1Cl
COc1ccc(cc1OC1CN(C1)C1CCC1)-c1ccccc1Cl
FC(F)(F)c1ccccc1-c1cccc(OC2CNC2)c1
Clc1ccccc1-c1cccc(OC2CNC2)c1
Cc1cccc(c1)-c1cccc(OC2CNC2)c1
Cc1ccccc1-c1cccc(OC2CNC2)c1
Clc1ccc(cc1OC1CNC1)-c1ccccc1Cl
FC(F)(F)c1ccccc1-c1ccc(Cl)c(OC2CNC2)c1
Cc1ccccc1-c1ccc(Cl)c(OC2CNC2)c1
Cc1cccc(c1)-c1ccc(Cl)c(OC2CNC2)c1
FC(F)(F)c1ccccc1-c1ccc(C#N)c(OC2CNC2)c1
N#Cc1ccc(cc1OC1CNC1)-c1ccccc1
Cc1ccccc1-c1ccc(C#N)c(OC2CNC2)c1
Cc1cc(C#N)c(OC2CNC2)cc1-c1ccccc1
CCOc1ccc(cc1OC1CNC1)-c1ccccc1C
Cc1ccccc1-c1ccc(OCC(F)(F)F)c(OC2CNC2)c1
Cc1ccccc1-c1ccc(OC2CCC2)c(OC2CNC2)c1
Cc1ccccc1-c1ccc(OCC2CC2)c(OC2CNC2)c1
CC(C)Oc1ccc(cc1OC1CNC1)-c1ccccc1C
CCN(CC)C(=O)c1ccc(cc1OC1CNC1)-c1ccccc1C(F)(F)F
Cc1cccc(c1)-c1ccc(Cl)cc1OC1CNC1
Cc1cc(ccc1F)-c1ccc(Cl)cc1OC1CNC1
Cc1ccc(cc1C)-c1ccc(Cl)cc1OC1CNC1
COc1ccc(cc1C1CCNC1)-c1ccccc1C
COc1ccc(cc1C1CCNC1)-c1cccc(F)c1C
COc1ccc(cc1C1CCNC1)-c1cccc(F)c1F
COc1ccc(cc1C1CCNC1)-c1cccc(c1)C(F)(F)F
COc1ccc(cc1C1CCNC1)-c1ccccc1C(F)(F)F
COc1ccc(cc1C1CCNC1)-c1ccccc1OC(F)(F)F
COc1ccc(cc1C1CCNC1)-c1ccccc1
COc1ccc(cc1C1CCN(C)C1)-c1ccccc1
C1CC(CN1)c1ccccc1-c1ccccc1
Cc1cccc(c1)-c1ccccc1C1CCNC1
CN1CCC(C1)c1ccccc1-c1cccc(C)c1
Cc1ccc(cc1)-c1ccccc1C1CCNC1
CN1CCC(C1)c1ccccc1-c1ccc(C)cc1
Clc1ccc(cc1)-c1ccccc1C1CCNC1
Cc1ccc(cc1C)-c1ccccc1C1CCNC1
CN1CCC(C1)c1ccccc1-c1ccc(C)c(C)c1
Cc1ccccc1-c1ccccc1C1CCNC1
CN1CCC(C1)c1ccccc1-c1ccccc1C
COc1ccccc1-c1ccccc1C1CCNC1
COc1ccccc1-c1ccccc1C1CCN(C)C1
COc1ccc(C)cc1-c1ccccc1C1CCNC1
Clc1cccc(c1)-c1ccc(Cl)cc1C1CCNC1
Cc1cc(ccc1F)-c1ccc(Cl)cc1C1CCNC1
Cc1ccc(cc1C)-c1ccc(Cl)cc1C1CCNC1
COc1ccc(cc1OC1CCNCC1)-c1ccccc1
COc1ccc(cc1OC1CCNCC1)-c1ccccc1C(F)(F)F
Cl.COc1ccccc1N1CCN(CCCOc2cc(C)ccc2C)CC1
Cl.COc1ccccc1N1CCN(CCCOc2cc(C)cc(C)c2C)CC1
COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1
COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1
Cl.COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2Cl)CC1
O=C1NN=C(NC1CCCCN1CCN(CC1)c1ccccc1)c1ccccc1 |c:3|
COc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2)CC1 |c:19|
CSc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2)CC1 |c:19|
Fc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2)CC1 |c:18|
Clc1ccc(cc1)N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2)CC1 |c:18|
Clc1cccc(N2CCN(CCCCC3NC(=NNC3=O)c3ccccc3)CC2)c1Cl |c:16|
Fc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2Cl)CC1 |c:18|
COc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)C2CCCCC2)CC1 |c:19|
CSc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)C2CCCCC2)CC1 |c:19|
Clc1cccc(N2CCN(CCCCC3NC(=NNC3=O)C3CCCCC3)CC2)c1Cl |c:16|
C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12 |r|
Cc1ncccc1OC[C@H]1CN(CCN2CCc3ccccc23)CCO1 |r|
CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
COc1cc(\C=C\C(=O)NCC=C)cc(OC)c1OC
CCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
CCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
COc1cc(\C=C\C(O)=O)cc(OC)c1OC
C(Cn1ccc2cccnc12)N1CCCN2CCCCC2C1
Clc1nccc2ccn(CCN3CCCN4CCCCC4C3)c12
C(Cn1ccc2ccncc12)N1CCCN2CCCCC2C1
O=c1[nH]c2ccccc2n1CCN1CCCN2CCCCC2C1
Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2n1
Clc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2n1
CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12
CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
C(OC1CCNCC1)c1ccc2ccccc2c1
Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
C1Cc2[nH]nc(c2CCN1)-c1ccccc1
Fc1ccccc1-c1n[nH]c2CCNCCc12
Fc1cccc(c1)-c1n[nH]c2CCNCCc12
Clc1ccccc1-c1n[nH]c2CCNCCc12
Clc1cccc(c1)-c1n[nH]c2CCNCCc12
Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Cc1ccccc1-c1n[nH]c2CCNCCc12
Cc1cccc(c1)-c1n[nH]c2CCNCCc12
Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
C1Cc2onc(c2CCN1)-c1ccccc1
Fc1ccccc1-c1noc2CCNCCc12
Fc1cccc(c1)-c1noc2CCNCCc12
Fc1ccc(cc1)-c1noc2CCNCCc12
Clc1ccccc1-c1noc2CCNCCc12
Clc1cccc(c1)-c1noc2CCNCCc12
Clc1ccc(cc1)-c1noc2CCNCCc12
Cc1cccc(c1)-c1noc2CCNCCc12
Cc1ccc(cc1)-c1noc2CCNCCc12
COc1ccccc1-c1noc2CCNCCc12
CN1CCc2ccc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2ccc(OCCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2C1=O
CN1CCc2ccc(OCC(O)CN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CCN1CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2c(C)cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2c(F)cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CC1CN(C)C(=O)c2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc12
CN1COc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc3CCNC(=O)c3c2)CC1
CN1CCc2ccc(OCCCN3CCN(CC3)c3nsc4ccccc34)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3ccccc3F)cc2C1=O
COc1ccccc1N1CCN(CCCOc2ccc3CCN(C)C(=O)c3c2)CC1
CN1CCc2ccc(OCCCN3CCN(CC3)c3ncccn3)cc2C1=O
CN1CCc2ccc(OCCCN3CCC(CC3)C(=O)c3ccc(F)cc3)cc2C1=O
Cn1cnc2ccc(OCCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2c1=O
Cc1nc2ccc(OCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2c(=O)n1C
Clc1cccc(N2CCN(CCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12
Cn1c2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2c(=O)n(C)c1=O
FC1=CC2ON=C(C2C=C1)C1CCN(CCCOc2ccc3NC(=O)CCc3c2)CC1 |c:5,9,t:1|
COc1ccccc1N1C(SCC1=O)c1cccc(F)c1
COc1ccccc1N1C(SCC1=O)c1ccc(F)cc1
COc1ccc(F)cc1N1C(SCC1=O)c1ccc(F)c(F)c1
COc1ccc(F)cc1N1C(SCC1=O)c1cccc(F)c1
COc1ccc(F)cc1N1C(SCC1=O)c1ccc(F)cc1
COc1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(OC)c1
COc1cc(F)c(F)cc1N1C(SCC1=O)c1ccc(F)cc1
COc1c(F)cc(F)cc1N1C(SCC1=O)c1ccc(F)cc1
COc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(O)=O
COc1ccc(cc1)N1C(SCC1=O)c1ccc(F)cc1
COc1ccc(cc1OC)N1C(SCC1=O)c1ccc(F)cc1
COc1cc(cc(OC)c1OC)N1C(SCC1=O)c1ccc(F)cc1
CCOc1ccc(cc1Cl)N1C(SCC1=O)c1ccc(F)cc1
Fc1ccc(cc1)C1SCC(=O)N1c1ccc(cc1)C#N
OC(=O)c1ccc(cc1)N1C(SCC1=O)c1ccc(F)cc1
Fc1ccc(cc1)C1SCC(=O)N1c1c(F)cc(cc1F)C#N
OC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(Cl)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C#N
COc1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
COc1cc(C)c(cc1F)N1C(SCC1=O)c1ccc(F)cc1
COc1cc(C)c(cc1OC)N1C(SCC1=O)c1ccc(F)cc1
CN(C)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1ccc(cc1N1C(SCC1=O)c1ccc(F)cc1)C(O)=O
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(O)=O
COC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1cccc(F)c1)C(O)=O
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)c(F)c1)C(O)=O
Cc1cc(ccc1N1C(SCC1=O)c1cc(F)cc(F)c1)C(O)=O
Cc1cc(ccc1F)C1SCC(=O)N1c1ccc(cc1C)C(O)=O
Cc1ccc(F)cc1C1SCC(=O)N1c1ccc(cc1C)C(O)=O
Cc1cc(ccc1N1C(SCC1=O)c1cccc(c1)C(F)(F)F)C(O)=O
COc1ccc(cc1)C1SCC(=O)N1c1ccc(cc1C)C(O)=O
Cc1cc(ccc1N1C(SCC1=O)c1ccc(Cl)cc1)C(O)=O
Cc1cc(C(O)=O)c(cc1N1C(SCC1=O)c1ccc(F)cc1)C(O)=O
CC(=O)c1ccc(C)c(c1)N1C(SCC1=O)c1ccc(F)cc1
Cc1ccc(cc1N1C(SCC1=O)c1ccc(F)cc1)C(F)(F)F
COC(=O)COc1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
COC(=O)Cc1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(CC(O)=O)ccc1N1C(SCC1=O)c1ccc(F)cc1
Cc1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cccc(F)c1N1C(SCC1=O)c1ccc(F)cc1
Cc1c(F)cccc1N1C(SCC1=O)c1ccc(F)cc1
Cc1cc(F)ccc1N1C(SCC1=O)c1ccc(F)cc1
Cc1cc(Br)ccc1N1C(SCC1=O)c1ccc(F)cc1
Cc1ccc(F)cc1N1C(SCC1=O)c1ccc(F)cc1
Cc1ccc(F)cc1N1C(SCC1=O)c1cccc(F)c1
CCc1ccc(cc1)C1SCC(=O)N1c1cc(F)ccc1C
Cc1ccc(F)cc1N1C(SCC1=O)c1cc(F)cc(F)c1
Cc1ccc(F)cc1N1C(SCC1=O)c1ccc(Cl)c(F)c1
Cc1ccc(F)cc1N1C(SCC1=O)c1ccc(F)c(Cl)c1
Cc1ccc(Cl)cc1N1C(SCC1=O)c1ccc(F)cc1
Cc1ccc(Br)cc1N1C(SCC1=O)c1ccc(F)cc1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=N)NO
CCOC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
CCc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(O)=O
CCOC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(CC)c1
OC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C=C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(C)(=O)=O
CCCS(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
CCS(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
CCCCS(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
CC(C)S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
CC(C)CS(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)C1CC1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)C1CCCCC1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(N)(=O)=O
CN(C)S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)C(F)(F)F
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccccc1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1cccc(F)c1
Cc1cc(C)cc(CS(=O)(=O)NC(=O)c2ccc(N3C(SCC3=O)c3ccc(F)cc3)c(C)c2)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
CCc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(cc1)C#N
COc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
CCOC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)c1cccc(F)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(F)cc1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1F
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(F)cc1F
Cc1cc(c(C)cc1Cl)S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)c1cccnc1
Cc1noc(C)c1S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
CCONC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
CONC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NOCc1ccccc1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NOc1ccccc1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NO
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NN
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)-c1nnn[nH]1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)-c1ccco1
Cc1nnc(o1)-c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)-c1nnc(o1)C(F)(F)F
CCCOC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
CC(C)OC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
CCCCOC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)OC(C)(C)C
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)OC1(C)CC1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)OCCC1CC1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)OCC1CCCC1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)OCCCc1ccccc1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)OCCOCc1ccccc1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)OCc1cccnc1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)OCCCc1ccccn1
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Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)OCC(F)(F)F
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CC(=O)OCC(COC(C)=O)OC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
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CC(CNC(=O)c1cc[c-][n+](C)c1)OC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(N)=O
CNC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
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Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NC1CCCCC1
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Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NCCCN1CCOCC1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NCCCn1ccnc1
CN(C)[C@@H]1CCN(C1)C(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1 |r|
CCOC(=O)N1CCC(CC1)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)N1CCC(N)C1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)N1CCCC(O)C1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)N1CC(O)C1
COC[C@@H]1CCCN1C(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1 |r|
COCCN(C)C(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)N1CCC(N)CC1
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COc1cccc(NC(=O)c2ccc(N3C(SCC3=O)c3ccc(F)cc3)c(C)c2)c1
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Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NCc1cccc(c1)C(F)(F)F
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NCc1ccc(F)c(F)c1
COc1cc(CNC(=O)c2ccc(N3C(SCC3=O)c3ccc(F)cc3)c(C)c2)cc(OC)c1
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Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NCCc1ccccc1F
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NCCc1ccccc1Cl
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NCCc1cccc(F)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NCCc1cccc(Cl)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NCCc1ccc(F)cc1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)NCCc1ccc(Cl)cc1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(=O)OCCOCCOC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1noc(N2C(SCC2=O)c2ccc(F)cc2)c1C
Cc1c(N2C(SCC2=O)c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C
Cc1c(N2C(SCC2=O)c2ccccc2F)c(=O)n(-c2ccccc2)n1C
Cc1c(N2C(SCC2=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Cc1c(N2C(SCC2=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C
COC(=O)c1ccc(N2C(SCC2=O)c2ccoc2)c(C)c1
COCCOCCOC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
COCCS(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
COCCOCCS(=O)(=O)NC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)c1
Cc1cc(ccc1N1C(SCC1=O)c1ccc(F)cc1)C(O)C(F)(F)F
Cc1cccnc1N1C(SCC1=O)c1ccc(F)cc1
CCOC(=O)c1ccc(N2C(SCC2=O)c2ccc(F)cc2)c(C)n1
CC(C)(C)c1cc(no1)N1C(SCC1=O)c1ccc(F)cc1
COC(=O)c1ccc(N2C(SCC2=O)c2ccsc2)c(C)c1
O=C1OC(CCN2CCN(CC2)c2cc(ccn2)C#N)CC11CCCC1
Clc1ccnc(c1)N1CCN(CCC2CC3(CCCC3)C(=O)O2)CC1
Oc1ccccc1N1CCN(CCC2CC3(CCC3)C(=O)O2)CC1
OCc1ccccc1N1CCN(CCC2CC3(CCC3)C(=O)O2)CC1
Oc1ccccc1N1CCN(CCC2CC3(CCCC3)C(=O)O2)CC1
OCc1ccccc1N1CCN(CCC2CC3(CCCC3)C(=O)O2)CC1
COc1ccc(cc1)N1CCN(CC[C@@H]2CC(C)(C)C(=O)O2)CC1 |r|
COc1ccc(cc1)N1CCN(CC[C@H]2CC(C)(C)C(=O)O2)CC1 |r|
CC1(C)C[C@@H](CCN2CCC(CC2)c2ccccc2)OC1=O |r|
CC1(C)C[C@H](CCN2CCC(CC2)c2ccccc2)OC1=O |r|
CCC1(CC)CC(CCCN2CCN(CC2)c2ccccc2)OC1=O
CCC1(CC)CC(CCCN2CCN(CC2)c2ccc(cc2)C#N)OC1=O
CCC1(CC)CC(CCCN2CCN(CC2)c2ccc(O)cc2)OC1=O
CCC1(CC)CC(CCCN2CCN(CC2)c2ccc(OC)cc2)OC1=O
CCC1(CC)CC(CCCN2CCN(CC2)c2ccc(C)cc2)OC1=O
CCC1(CC)CC(CCCN2CCN(CC2)c2ccccc2C(C)C)OC1=O
CCC1(CC)CC(CCCN2CCN(CC2)c2ccccn2)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccc3nc([nH]c3c2)C(F)(F)F)OC1=O
CCC1(CC)CC(CCN2CCN(CC2)c2ccc3nc(C)[nH]c3c2)OC1=O
CCC1(CC)CC(CCN2CCc3ccc(Cl)cc3C2)OC1=O
CCC1(CC)CC(CCN2CCc3ccc(F)cc3C2)OC1=O
CCC1(CC)C[C@H](CCN2CCN(CC2)c2ccncc2)OC1=O |r|
O=C1OC(CCN2CCN(CC2)c2ccc3[nH]ccc3c2)CC11CCCCC1
O=C1OC(CCN2CCN(CC2)c2ccc3[nH]ccc3c2)CC11CCCC1
O=C1OC(CCN2CCN(CC2)c2ccc3[nH]ccc3c2)CC11CCC1
Nc1cc(ccc1[N+]([O-])=O)N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
O=C1OC(CCN2CCN(CC2)c2ccc3[nH]c(=O)[nH]c3c2)CC11CCCCC1
O=C1OC(CCN2CCN(CC2)c2ccc3[nH]c(=O)[nH]c3c2)CC11CCC1
Clc1cc(ccn1)N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1
Cc1ccc(cc1)N1CCN(CCC2CC3(CCN(Cc4ccccc4)CC3)C(=O)O2)CC1
Cc1ccc(cc1)N1CCN(CCC2CC3(CCNCC3)C(=O)O2)CC1
COC(=O)N1CCC2(CC(CCN3CCN(CC3)c3ccc(C)cc3)OC2=O)CC1
CC(=O)N1CCC2(CC(CCN3CCN(CC3)c3ccc(C)cc3)OC2=O)CC1
CNC(=O)N1CCC2(CC(CCN3CCN(CC3)c3ccc(C)cc3)OC2=O)CC1
Cc1ccc(cc1)N1CCN(CCC2CC3(CCN(CC3)S(C)(=O)=O)C(=O)O2)CC1
CS(=O)(=O)N1CCC2(CC(CCN3CCN(CC3)c3ccccc3N3CCOCC3)OC2=O)CC1
Cc1nc2cccc(N3CCN(CCC4CC5(CCN(CC5)S(C)(=O)=O)C(=O)O4)CC3)c2[nH]1
CS(=O)(=O)N1CCC2(CC(CCN3CCN(CC3)c3ccc(Cl)cc3)OC2=O)CC1
Cc1ccc(cc1)N1CCN(CCC2CC3(CCN(CC3)S(=O)(=O)c3ccccc3)C(=O)O2)CC1
COc1ccc(cc1)S(=O)(=O)N1CCC2(CC(CCN3CCN(CC3)c3ccc(C)cc3)OC2=O)CC1
Cc1ccc(cc1)N1CCN(CCC2CC3(CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)C(=O)O2)CC1
Cc1ccc(cc1)N1CCN(CCC2CC3(CCN(CC3)S(=O)(=O)C3CCOCC3)C(=O)O2)CC1
Cc1ccc(cc1)N1CCN(CCC2CC3(CCN(CC3)S(=O)(=O)c3cccs3)C(=O)O2)CC1
Cc1ccc(cc1)N1CCN(CCC2CC3(CCN(CC3)S(=O)(=O)c3ccc(cc3)C#N)C(=O)O2)CC1
Clc1nc2sccn2c1S(=O)(=O)N1CCC2(CC(CCN3CCN(CC3)c3ccc(Cl)cc3)OC2=O)CC1
CS(=O)(=O)CS(=O)(=O)N1CCC2(CC(CCN3CCN(CC3)c3ccc(Cl)cc3)OC2=O)CC1
Clc1ccc(cc1)N1CCN(CCC2CC3(CCN(CC3)S(=O)(=O)CC#N)C(=O)O2)CC1
CS(=O)(=O)N1CCC2(CC(CCN3CCN(CC3)c3ccc(cc3N3CCOCC3)C#N)OC2=O)CC1
Cc1ccc(N2CCN(CCC3CC4(CCN(CC4)S(C)(=O)=O)C(=O)O3)CC2)c(c1)N1CCOCC1
CS(=O)(=O)N1CCC2(CC(CCN3CCN(CC3)c3ccc(O)cc3N3CCOCC3)OC2=O)CC1
CS(=O)(=O)N1CCC2(CC(CCN3CCN(CC3)c3ccc(O)cc3)OC2=O)CC1
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccccc2)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccccc2C(C)C)OC1=O
CC(C)c1ccccc1N1CC2CN(CCC3CC4(CCCCC4)C(=O)O3)CC2C1
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccccc2C)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2cccc(C)c2)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccc(C)cc2)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccccc2C#N)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2cccc(c2)C#N)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccc(cc2)C#N)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccccc2OC)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2cccc(OC)c2)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccc(OC)cc2)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccccc2O)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2cccc(O)c2)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccc(O)cc2)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccccc2N2CCOCC2)OC1=O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@@H](C)O |r|
CCN(CCN1CCC(CC1)n1ncc2cc(F)ccc12)C(=O)CCO
CCN(CCN1CCC(CC1)n1ncc2cc(F)ccc12)C(=O)[C@@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(O)CCC(=O)OC
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)(C)O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)(C)CO
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(O)C(C)C
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CCC(O)CC1 |(-2.34,-3.7,;-3.67,-2.93,;-3.67,-1.39,;-2.34,-.62,;-1.01,-1.39,;.33,-.62,;.33,.92,;1.66,1.69,;2.99,.92,;2.99,-.62,;1.66,-1.39,;4.33,1.69,;4.33,3.23,;5.79,3.7,;6.7,2.46,;8.23,2.3,;8.86,.89,;10.34,.49,;7.95,-.36,;6.42,-.2,;5.79,1.21,;-5.01,-.62,;-5.01,.92,;-6.34,-1.39,;-7.68,-.62,;-9.01,-1.39,;-9.01,-2.93,;-10.34,-3.7,;-7.68,-3.7,;-6.34,-2.93,)|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)CC(C)O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1(O)CCOCC1
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)CO
CCN(CCN1CCC(CC1)c1noc2cc(F)c(C)cc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2ccc(C)cc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(Cl)ccc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)CCO
CCN(CCN1CCC(CC1)C1NOc2cc(F)ccc12)C(=O)C(O)COC
CCN(CCN1CCC(CC1)c1n[nH]c2cc(F)ccc12)C(=O)C(C)O
CCN(CCN1CCC(CC1)c1c[nH]c2cc(F)ccc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)n1ncc2cc(F)ccc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1c[nH]c2ccccc12)C(=O)C(C)O
CCN(CCN1CCC(CC1)c1c[nH]c2ccccc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1(O)CC1
CCN(CCN1CCC(CC1)c1noc2ccccc12)C(=O)C(C)O
CCN(CCN1CCN(CC1)c1noc2ccccc12)C(=O)C(C)O
CCN(CCN1CCN(CC1)c1noc2cc(F)ccc12)C(=O)C(C)O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(O)C#C
CC[C@@H](O)C(=O)N(CC)CCN1CCC(CC1)c1noc2cc(F)ccc12 |r|
CC(O)C(=O)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)CC1CC1
CC(C)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)O
CC(O)C(=O)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)CC#N
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CCCCC1O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(O)C(F)(F)F
CC(C)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)CCO
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(F)(F)CO
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)CO
CCN(CCCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@H](C)O |r|
CCCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)O
CC(C)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@H](C)O |r|
CC(C)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(-2.34,-3.7,;-3.67,-2.93,;-3.67,-1.39,;-2.34,-.62,;-1.01,-1.39,;.33,-.62,;.33,.92,;1.66,1.69,;2.99,.92,;2.99,-.62,;1.66,-1.39,;4.33,1.69,;4.33,3.23,;5.79,3.7,;6.7,2.46,;8.23,2.3,;8.86,.89,;10.34,.49,;7.95,-.36,;6.42,-.2,;5.79,1.21,;-5.01,-.62,;-5.01,.92,;-6.34,-1.39,;-6.34,-2.93,;-7.68,-3.7,;-9.01,-2.93,;-10.34,-3.7,;-9.01,-1.39,;-7.68,-.62,)|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@@H]1CC[C@H](O)CC1 |r,wU:23.25,26.29,(-2.34,-3.7,;-3.67,-2.93,;-3.67,-1.39,;-2.34,-.62,;-1.01,-1.39,;.33,-.62,;.33,.92,;1.66,1.69,;2.99,.92,;2.99,-.62,;1.66,-1.39,;4.33,1.69,;4.33,3.23,;5.79,3.7,;6.7,2.46,;8.23,2.3,;8.86,.89,;10.34,.49,;7.95,-.36,;6.42,-.2,;5.79,1.21,;-5.01,-.62,;-5.01,.92,;-6.34,-1.39,;-7.68,-.62,;-9.01,-1.39,;-9.01,-2.93,;-10.34,-3.7,;-7.68,-3.7,;-6.34,-2.93,)|
CCN(CCN1CCC(CC1)c1noc2ccc(F)cc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CC(O)C1 |(-2.73,-3.7,;-4.07,-2.93,;-4.07,-1.39,;-2.73,-.62,;-1.4,-1.39,;-.06,-.62,;-.06,.92,;1.27,1.69,;2.6,.92,;2.6,-.62,;1.27,-1.39,;3.94,1.69,;3.94,3.23,;5.4,3.7,;6.31,2.46,;7.84,2.3,;8.46,.89,;9.95,.49,;7.56,-.36,;6.03,-.2,;5.4,1.21,;-5.4,-.62,;-5.4,.92,;-6.73,-1.39,;-8.22,-.99,;-8.62,-2.48,;-9.95,-3.25,;-7.13,-2.88,)|
CCN(CCN1CCC(CC1)c1c[nH]c2ccccc12)C(=O)CCO
CCN(CCN1CCC(CC1)c1c[nH]c2cc(F)ccc12)C(=O)CCO
CCN(CCN1CCC(CC1)c1c[nH]c2ccccc12)C(=O)[C@@H](C)O |r|
CCN(CCN1CCC(CC1)n1ccc2cc(F)ccc12)C(=O)C(C)O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)S(=O)(=O)C(C)CO
CCN(CCCN1CCC(CC1)c1noc2cc(F)ccc12)S(=O)(=O)CCO
CCN(CCCN1CCC(CC1)c1noc2ccccc12)S(=O)(=O)C(C)CO
CCN(CCCN1CCN(CC1)c1noc2cc(F)ccc12)S(=O)(=O)C(C)CO
CCN(CCCN1CCC(CC1)c1noc2cc(F)ccc12)S(=O)(=O)C(C)CO
CCN(CCN1CCC(CC1)c1c[nH]c2ccccc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)c1noc2cc(F)c(C)cc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)c1noc2ccc(C)cc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)c1noc2cc(Cl)ccc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)c1noc2ccccc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)c1c[nH]c2cc(F)ccc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)n1ncc2cc(F)ccc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)n1ncc2cc(F)ccc12)S(=O)(=O)C(C)CO
CCN(CCN1CCC(CC1)C1NOc2cc(F)ccc12)C(=O)C(O)CN
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CNCC1O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CNCCC1O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@H]1NCC[C@H]1O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1(O)CCCNC1
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1(O)CCNC1
CCN(CCN1CCC(CC1)C1NOc2cc(F)ccc12)C(=O)C(O)CNC(C)=O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1(O)CCCN(C1)C(C)=O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CN(CC1O)C(C)=O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CN(CCC1O)C(C)=O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CN(C)CC1O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CN(C)CCC1O
CN(C)CCc1c[nH]c2c1c(ccc2)O
COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F
CCN(C)Cc1cccc(c1)-c1ccccc1Cl
Clc1cccc(c1)-c1cccc(CN2CCCC2)c1
COc1cccc(c1)-c1cccc(CN2CCCC2)c1
Clc1ccc(CN2CCCC2)cc1-c1ccccc1
Clc1ccccc1-c1cc(CN2CCCC2)ccc1Cl
Clc1ccc(cc1)-c1cc(CN2CCCC2)ccc1Cl
Cc1ccccc1-c1cc(CN2CCCC2)ccc1Cl
Cc1ccc(cc1)-c1cc(CN2CCCC2)ccc1Cl
COc1cccc(c1)-c1cc(CN2CCCC2)ccc1Cl
C1CN=C(N1)c1cccc(c1)-c1ccccc1 |c:2|
COc1ccccc1-c1cccc(c1)C1=NCCN1 |$;;;;;;;;;;;;;;;;;;HN$,t:16|
COc1cccc(c1)-c1cccc(c1)C1=NCCN1 |$;;;;;;;;;;;;;;;;;;HN$,t:16|
COc1ccc(cc1)-n1cnc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
COc1ccc(cc1)-n1cnc2cc(cnc12)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-n1cnc2cc(cnc12)C(=O)N1CCCCC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1cnccn1
Oc1ccc(cc1Cl)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
FC1(F)CCN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(Cl)c1
OC1CCN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(Cl)c1
NC(=O)CCc1nc2cc(ccc2n1-c1cccc(Cl)c1)C(=O)N1CCCCC1
COc1ccc(cc1Cl)-n1cnc2cc(ccc12)C(=O)N1CCCCC1 |$;O;;;;;;;;;;;;;;;;;;;;;;;;$|
FC1CCN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(Cl)c1
Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCC(=O)C1
Cc1nc2cc(ccc2n1-c1cccc(Cl)c1)C(=O)N1CCCCC1
ClC1CCN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(Cl)c1
Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC1
NC(=O)Cc1nc2cc(ccc2n1-c1cccc(Cl)c1)C(=O)N1CCCCC1
Clc1cccc(c1)-c1cnc2cc(ccn12)C(=O)N1CCCCC1
CCOC(=O)Cc1nc2cc(ccc2n1-c1cccc(Cl)c1)C(=O)N1CCCCC1 |$;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
CCOC(=O)c1nc2cc(ccc2n1-c1cccc(Cl)c1)C(=O)N1CCCCC1 |$;;O;;;;;;;;;;;;;;;;;;;;;;;;;;$|
FC1(F)CCN(CC1)C(=O)c1ccc2n(cnc2c1)-c1cccc(Cl)c1
Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CC2CCC(C2)C1
Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CC2(CCC2)C1
Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CC2CC2C1
Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCCC1
Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CC2CCCC2C1
Clc1cccc(c1)-n1cnc2cc(cnc12)C(=O)N1CCCCC1
Clc1cn(-c2cccc(Cl)c2)c2ccc(cc12)C(=O)N1CCCCC1
COc1ccc(cc1)-n1c(nc2cc(ccc12)C(=O)N1CCCCC1)C1CC1
Clc1cccc(c1)-c1cnn2cc(cnc12)C(=O)N1CCCCC1
Clc1cccc(c1)-n1nnc2cc(ccc12)C(=O)N1CCCCC1
COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Clc1cccc(c1)-n1ncc2cc(ccc12)C(=O)N1CCCCC1
Clc1cccc(c1)-n1ccc2cc(ccc12)C(=O)N1CCCCC1
COc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCC1
Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCC1
COc1cc(ccc1COc1ccccc1Cl)C(=O)N1CCCCC1
COc1ccccc1C(=O)N(C)c1ccc(cc1)C(=O)N1CCCCC1
Clc1ccccc1OCc1ccc(cc1)C(=O)N1CCCCC1
COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCC1
COc1ccccc1NC(=O)c1ccc(cc1)C(=O)N1CCCCC1
Brc1ccccc1OCc1ccc(cc1)C(=O)N1CCCCC1
Oc1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
FC1CCN(CC1)C(=O)c1cnc2n(cc(Cl)c2c1)-c1cncnc1
Cn1cc(cn1)-n1cc(Cl)c2cc(cnc12)C(=O)N1CCC(F)CC1
FC1CCN(CC1)C(=O)c1cnc2n(cc(Cl)c2c1)-c1cccnc1
FC1CCN(CC1)C(=O)c1cnc2n(cc(Cl)c2c1)-c1ccncn1
COc1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
FC1CCN(CC1)C(=O)c1ccc(COc2ccccc2Cl)cn1
Cn1cc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-n1cnc2cc(cnc12)C(=O)N1CC(F)C1
FC1CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cccnc1
FC1CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccncn1
COc1ccc(cc1)-n1c(NC(C)=O)nc2cc(cnc12)C(=O)N1CCC(F)CC1
CN(C1CC1)C(=O)c1ccc2n(cnc2c1)-c1cccc(Cl)c1
COc1ccc(nc1)-n1cnc2cc(ccc12)C(=O)N1CCC(F)CC1
Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)Nc1ccccc1
COc1ccc(cc1)-n1c(N)nc2cc(cnc12)C(=O)N1CCC(F)CC1
Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)NC1CC1
COc1ccc(Cn2cnc(c2)-n2ccc3cc(cnc23)C(=O)N2CCCCC2)cc1
OC1CCN(CC1)C(=O)c1ccc2n(cnc2c1)-c1cccc(Cl)c1
FC1CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cnccn1
Clc1ccccc1S(=O)Cc1ccc(cc1)C(=O)N1CCCCC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1cn[nH]c1
OC(=O)CCc1nc2cc(ccc2n1-c1cccc(Cl)c1)C(=O)N1CCCCC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1ccncn1
CCOC(=O)CCc1nc2cc(ccc2n1-c1cccc(Cl)c1)C(=O)N1CCCCC1
Clc1cccc(c1)N1CCCc2cc(ccc12)C(=O)N1CCCCC1
COc1ccc(Cn2cc(cn2)-n2ccc3cc(cnc23)C(=O)N2CCCCC2)cc1
Clc1ccccc1S(=O)(=O)Cc1ccc(cc1)C(=O)N1CCCCC1
Clc1ccccc1SCc1ccc(cc1)C(=O)N1CCCCC1
CC1(C)CN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(Cl)c1
O=C(N1CCCCC1)c1ccc(COc2ccccc2-c2cnc[nH]2)cc1
COc1ccc(nc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
O=C(N1CCCCC1)c1ccc(COc2ccccc2-c2cncs2)cc1
O=C(N1CCCCC1)c1ccc(COc2ccccc2-c2ccccn2)cc1
FC1CN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(Cl)c1
ClC1CN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(Cl)c1
Cn1cc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
O=C(N1CCCCC1)c1ccc2n(cnc2c1)-c1ccc2OCOc2c1
Clc1cccc(c1)N1C(=O)CCc2cc(ccc12)C(=O)N1CCCCC1
COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC(F)(F)CC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1cscn1
CCn1cnc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1cncnc1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1ccccn1
Cn1cc(-c2cccc(Cl)c2)c2ccc(cc12)C(=O)N1CCCCC1
Clc1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1cccnc1
Clc1cccc(c1)-c1c[nH]c2cc(ccc12)C(=O)N1CCCCC1
FC1CCN(CC1)C(=O)c1cnc2n(ccc2c1Cl)-c1cnccn1
CC1(C)CCN(c2cnccn2)c2ccc(cc12)C(=O)N1CCC(F)CC1
Cc1cn(-c2cncnc2)c2ccc(cc12)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-n1c(CC#N)nc2cc(cnc12)C(=O)N1CCC(F)CC1
Cc1cn(-c2cnccn2)c2ccc(cc12)C(=O)N1CCC(F)CC1
FC1CCN(CC1)C(=O)c1cnc2n(cc(Cl)c2c1)-c1cnccn1
Cc1cnc(cn1)-n1cc(Cl)c2cc(cnc12)C(=O)N1CCC(F)CC1
Cc1c(cnc2n(ccc12)-c1cnccn1)C(=O)N1CCC(F)CC1
Cc1cncc(n1)-n1cc(Cl)c2cc(cnc12)C(=O)N1CCC(F)CC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1cnc(nc1)C#N
NC(=O)c1ncc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
COCCNC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
NC(=O)c1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1ccc(nc1)C#N
CC(O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
CC(O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
CN(C)C(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
CNC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
OCc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
OCc1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
NC(=O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
FC1CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cccc(c1)C#N
NC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
FC1CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(cc1)C#N
COc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1C[C@@H](C)C[C@@H](C)C1 |r|
COc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCN(CC(F)(F)F)CC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1ccc2[nH]ncc2c1
COc1ccc(Cn2cc3cc(ccc3n2)-n2ccc3cc(cnc23)C(=O)N2CCCCC2)cc1
COc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1[C@@H](C)CCC[C@H]1C |r|
COc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CC(C1)c1ccccc1
Nc1cc(ccn1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
CS(=O)(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
CS(=O)(=O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
NCc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
NCc1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
COc1ccc(Cn2ncc3cc(ccc23)-n2ccc3cc(cnc23)C(=O)N2CCCCC2)cc1
Nc1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
COc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(CC1)c1ccccc1
COc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(CC1)C(F)(F)F
COc1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
Nc1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
Cc1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1ccn2ccnc2c1
CCOc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
CN(C)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
Oc1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
Cc1ccc(cc1)S(=O)(=O)n1ccc2cc(cnc12)C(=O)N1CCCCC1
OCc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
OCc1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
CN(C)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
NC(=O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1cccc(c1)C#N
NC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1ccc(cc1)C#N
CS(=O)(=O)n1ccc2cc(cnc12)C(=O)N1CCCCC1
COc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
COc1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
Clc1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
COc1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
COc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
Clc1cn(-c2cncc(Cl)c2)c2ncc(cc12)C(=O)N1CCCCC1
COc1cncc(c1)-n1cc(Cl)c2cc(cnc12)C(=O)N1CCCCC1
COc1cccc(c1)-n1cc(Cl)c2cc(cnc12)C(=O)N1CCCCC1
FC1CCN(CC1)C(=O)c1cnc2n(cc(Cl)c2c1)-c1ccc2OC(F)(F)Oc2c1
FC1(F)Oc2ccc(cc2O1)-n1cc(Cl)c2cc(cnc12)C(=O)N1CCCCC1
COc1ccc(cc1)-n1cc(Cl)c2cc(cnc12)C(=O)N1CCCCC1
COc1ccc(cc1)-n1cc(Cl)c2cc(cnc12)C(=O)N1CCC(F)CC1
FC1CCN(CC1)C(=O)c1cnc2n(cc(Cl)c2c1Cl)-c1cnccn1
Cc1nc2n(cc(Cl)c2cc1C(=O)N1CCC(F)CC1)-c1cnccn1
Cc1nc2n(ccc2cc1C(=O)N1CCC(F)CC1)-c1cnccn1
NC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CC(C)(O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
CC(C)(O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
CN(C)c1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
FC1CCN(CC1)C(=O)c1ccc2n(ccc2n1)-c1ccc(cc1)C#N
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(cc1)C#N
CC(C)(C)NC(=O)c1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
F[C@H]1C[C@@H](F)CN(C1)C(=O)c1cnc2n(ccc2c1)-c1ccc(cc1)C#N |r|
CC(C)(C)NC(=O)c1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CC(C)(C)CNC(=O)c1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CCC(CC)NC(=O)c1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(OC=O)nc1
O=COc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
CCNC(=O)c1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(cc1)C(=O)NC1CCNCC1
OCC(CO)NC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
NCCNC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
Cc1nc(no1)-c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cncc(OC=O)c1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(OC=O)cc1
CCNC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
OCCNC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CC(C)(C)CNC(=O)c1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CC(N)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1cncc(c1)C#N
CS(=O)(=O)NCCNC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CCC(CC)NC(=O)c1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CC(C)(C)C(=O)NCCNC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc2[nH]ncc2c1
Nc1ncc(cc1Cl)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
NC(=O)c1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-n1c(CCC(C)(C)O)cc2cc(cnc12)C(=O)N1CCCCC1
COc1ccc(cc1)-n1ccc2c(O)c(cnc12)C(=O)N1CCCCC1
CC(C)NC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
Cc1cc(cnc1N)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
CNC(=O)c1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
NC(=O)c1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
N\C(=N/O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
N\C(=N/O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
C[C@H]1C[C@@H](C)CN(C1)C(=O)c1cnc2n(ccc2c1)-c1ccc(cc1)C(N)=O |r|
CN(C)C(=O)c1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
NC(=O)c1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
COc1ccc(cc1)-n1ccc2c(N)c(cnc12)C(=O)N1CCCCC1
COc1ccc(cc1)-n1ccc2c(C#N)c(cnc12)C(=O)N1CCCCC1
FC1CCN(CC1)C(=O)c1cnc2n(cc(Cl)c2c1)-c1ccc(cc1)C#N
Cc1c(cnc2n(ccc12)-c1ccc(cc1)C#N)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-n1ccc2c(NCc3ccccc3)c(cnc12)C(=O)N1CCCCC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cccc(c1)C(=O)N1CCS(=O)C1
CC(C)(O)CCC#Cc1cc2cc(cnc2n1-c1ccc(cc1)C#N)C(=O)N1CCC(F)(F)CC1
COc1ccc(cc1)-n1c(C)nc2cc(cnc12)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-n1c(CCNC(C)=O)nc2cc(cnc12)C(=O)N1CCC(F)CC1
FC1CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc2OCOc2c1
CCc1nc2cc(cnc2n1-c1ccc(OC)cc1)C(=O)N1CCC(F)CC1
COCCc1nc2cc(ccc2n1-c1ccc(OC)cc1)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-n1c(C)nc2cc(ccc12)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-n1ccc2cc(ccc12)C(=O)N1CCC(F)CC1
CCc1nc2cc(ccc2n1-c1ccc(OC)cc1)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-n1c(CCC(F)(F)F)nc2cc(cnc12)C(=O)N1CCC(F)CC1
COc1cccc(c1)-c1cn(C)c2cc(cnc12)C(=O)N1CCC(F)CC1
COc1ccccc1-c1cn(C)c2cc(cnc12)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-c1c[nH]c2cc(cnc12)C(=O)N1CCC(F)CC1
COc1ccc(cc1)-n1c(C)nc2cc(cnc12)C(=O)N1CCCCC1
COc1ccc(cc1)-n1cc(C)c2cc(cnc12)C(=O)N1CCC(F)CC1
COCCc1nc2cc(cnc2n1-c1ccc(OC)cc1)C(=O)N1CCC(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(nc1)C(=O)CC1CCCCC1
COc1ccc(cc1)-n1cc(C)c2cc(ccc12)C(=O)N1CCC(F)CC1
OC(=O)Cc1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
COc1ccc(cc1)-n1c(C)nc2cc(ccc12)C(=O)N1CCCCC1
OC(=O)C1(CC1)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CCC(CC)n1cnc2cc(cnc12)C(=O)N1CCC(F)CC1
OC(=O)C1(CC1)NC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CCC(CC)n1cnc2cc(ccc12)C(=O)N1CCCCC1
NC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1 |r|
FC1CCN(CC1)C(=O)c1cnc2n(cnc2c1)-c1ccc(OC(F)(F)F)cc1
OCCN(CCO)C(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC(F)(F)Oc1ccc(cc1)-n1cnc2cc(cnc12)C(=O)N1CCCCC1
FC1CCN(CC1)C(=O)c1cc2ccn(-c3ccc(cc3)C#N)c2cn1
CCOc1ccc(cc1)-n1cnc2cc(cnc12)C(=O)N1CCC(F)CC1
CC(C)(CC(O)=O)NC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CCC(CC)n1cnc2cc(cnc12)C(=O)N1CCCCC1
OC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1 |r|
Oc1ccc(cc1)-n1cnc2cc(cnc12)C(=O)N1CCC(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(cn1)C#N
FC1CCN(CC1)C(=O)c1cnc2n(cnc2c1)-c1ccc(F)cc1
Oc1cc(ccc1C#N)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
Fc1ccc(cc1)-n1cnc2cc(cnc12)C(=O)N1CCCCC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cncc(c1)-c1nnn[nH]1
FC1CCN(CC1)C(=O)c1cnc2n(cnc2c1)-c1ccc(F)c(F)c1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cncc(c1)-c1noc(=O)[nH]1
Fc1ccc(cc1F)-n1cnc2cc(cnc12)C(=O)N1CCCCC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cncc(NC(=O)c2ccno2)c1
CCOc1ccc(cc1)-n1cnc2cc(cnc12)C(=O)N1CCCCC1
NCCNC(=O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
COc1ccc(cc1)-n1nnc2cc(ccc12)C(=O)N1CCC(F)CC1
OC(=O)C1(CC1)NC(=O)c1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
COc1ccc(cc1)-n1nnc2cc(ccc12)C(=O)N1CCCCC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(cnc2c1)-c1ccc(cc1)C#N
N[C@@H]1[C@@H](N(C1=O)c1ccc2[nH]cnc2c1)c1c(F)cc(OCCC(F)F)cc1F |r|
ClC1CN(C1)C(=O)c1cnc2n(cnc2c1)-c1ccc(cc1)C#N
FC(F)CCOc1cc(F)c([C@@H]2N(C(=O)\C2=C/c2ccccc2)c2ccc3[nH]cnc3c2)c(F)c1 |r|
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(nc1)-c1nnn[nH]1
FC(F)Oc1cccc(c1)-n1cnc2cc(cnc12)C(=O)N1CCC(F)CC1
CC1(C)NC(=O)N(C1=O)c1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
COCCc1nc2cc(cnc2n1-c1ccc(OC)cc1)C(=O)N1CCCCC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cncc(c1)C(=O)Nc1ccno1
COc1ccc(cc1)-n1c(CCC(F)(F)F)nc2cc(cnc12)C(=O)N1CCCCC1
OCCNC(=O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1CCN(CC1)C(=O)c1cnc2n(cnc2c1)-c1cccc(OC(F)(F)F)c1
OC(=O)c1ccc(nc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC(F)(F)Oc1cccc(c1)-n1cnc2cc(cnc12)C(=O)N1CCCCC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(cc1)C(=O)NC1CNC1
FC(F)Oc1cccc(c1)-n1cnc2cc(cnc12)C(=O)N1CCCCC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(nc1)-c1ncn[nH]1
COc1ccc(cc1)-n1nc(C)c2cc(ccc12)C(=O)N1CCC(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(nc1)-c1noc(=O)[nH]1
COc1ccc(cc1)-n1nc(Cl)c2cc(ccc12)C(=O)N1CCCCC1
NC(=O)c1ccc(cc1)-n1cnc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1(F)Oc2ccc(cc2O1)-n1ccc2cc(cnc12)C(=O)N1CCCCC1
CC(C)(C#Cc1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O
COc1cccc(c1)-n1nc(Cl)c2cc(ccc12)C(=O)N1CCCCC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cncc(c1)N1CCOC1=O
Clc1nn(-c2cncc(Cl)c2)c2ccc(cc12)C(=O)N1CCCCC1
CCNC(=O)c1ccc(nc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
COc1ccc(cc1)-n1ccc2c(C)c(cnc12)C(=O)N1CCCCC1
CS(=O)(=O)NC(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1(F)CCC(CC1)n1ccc2cc(cnc12)C(=O)N1CCCCC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(nc1)C(=O)Nc1ccno1
Clc1cncc(c1)-n1ncc2cc(ccc12)C(=O)N1CCCCC1
Cc1nc(no1)-c1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CS(=O)(=O)NCCNC(=O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
NC(=O)c1cncc(c1)-n1cc(Cl)c2cc(cnc12)C(=O)N1CCC(F)(F)CC1
CN(C)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)CC1
CCOC(=O)Nc1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
Cc1c(cnc2n(ccc12)-c1ccc(cc1)C(N)=O)C(=O)N1CCC(F)CC1
NC[C@@H]1CN(C(=O)O1)c1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1 |r|
NC[C@@H]1CN(C(=O)O1)c1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1 |r|
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cc(Cl)cc(c1)C(=O)NC1CCS(=O)(=O)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cncc(NS(=O)(=O)C2CC2)c1
NC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1 |r|
OC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1 |r|
NS(=O)(=O)c1ccc(cc1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cccc(c1)C(=O)Nc1cc([nH]n1)C1CC1
NC(=O)c1ccc(cc1)-n1cc(Cl)c2cc(cnc12)C(=O)N1CCC(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cccc(c1)C(=O)Nc1ccn(n1)C1CC1
NC(=O)c1ccc(cc1)-n1cc(Cl)c2cc(cnc12)C(=O)N1CCCCC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cncc(c1)C(=O)Nc1ccn(n1)C1CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cncc(c1)C(=O)Nc1cc([nH]n1)C1CC1
CC(C)(C(N)=O)c1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
OC(=O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cc(Cl)cc(c1)C(=O)N1CCS(=O)(=O)CC1
CC(C)(C#N)c1cncc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cccc(c1)-c1nn[nH]n1
CC(C)(O)CCc1cc2cc(cnc2n1-c1ccc(cc1)C#N)C(=O)N1CCC(F)(F)CC1
NS(=O)(=O)c1cccc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(cc1)-c1nn[nH]n1
CC(C)(O)CNC(=O)c1cc(Cl)cc(c1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
NC(=O)CCc1cc2cc(cnc2n1-c1ccc(cc1)C#N)C(=O)N1CCC(F)(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cccc(c1)C(=O)N1CCS(=O)(=O)C1
Oc1ncc(cc1C#N)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cncc(c1)-c1nc[nH]n1
F[C@@H]1CCN(C1)C(=O)c1cnc2n(ccc2c1)-c1ccc(cc1)C#N |r|
F[C@H]1CCN(C1)C(=O)c1cnc2n(ccc2c1)-c1ccc(cc1)C#N |r|
C[C@H]1CCCN(C1)C(=O)c1cnc2n(ccc2c1)-c1ccccc1 |r|
CC(C)(O)C#Cc1nc2cc(cnc2n1-c1ccc(cc1)C#N)C(=O)N1CCC(F)(F)CC1
Cc1nc(no1)-c1ccc(cc1)-n1c(CCC(C)(C)O)cc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC(F)(F)c1nnc([nH]1)-c1ccc(cn1)-n1ccc2cc(cnc12)C(=O)N1CCC(F)(F)CC1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1ccc(nc1)-c1n[nH]c(n1)C1CC1
CC(C)(O)CCc1cc2cc(cnc2n1-c1ccc(cc1)C(O)=O)C(=O)N1CCC(F)(F)CC1
CC(C)(C)c1ccc(NC(=O)c2cncc(c2)-n2ccc3cc(cnc23)C(=O)N2CCC(F)(F)CC2)cn1
FC1(F)CCN(CC1)C(=O)c1cnc2n(ccc2c1)-c1cncc(c1)-c1n[nH]c(n1)C1CC1
Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c3ccccc3[nH]c2=O)CC1
Fc1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Oc1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Oc1ccccc1N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
FC(F)(F)c1ccccc1N1CCN(Cn2c3ccccc3[nH]c2=O)CC1
O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1ccccn1
O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1ncccn1
Fc1ccccc1N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Cc1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
FC(F)(F)c1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Clc1ccc(cc1Cl)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Clc1ccc(N2CCN(CCCCCn3c4ccccc4[nH]c3=O)CC2)c(Cl)c1
O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1ccncc1
O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1cccnc1
O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1ccncn1
O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1ncncn1
Fc1ccc(cc1)N1CCN(CCOCCn2c3ccccc3[nH]c2=O)CC1
Fc1ccc(cc1)N1CCCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Fc1ccc(cc1)N1C[C@@H]2CN(CCCCCn3c4ccccc4[nH]c3=O)C[C@@H]2C1 |r|
Fc1ccc(cc1)N1CC2(CN(CCCCCn3c4ccccc4[nH]c3=O)C2)C1
CC(C)(CCN1CCN(CC1)c1ccc(F)cc1)CCn1c2ccccc2[nH]c1=O
Fc1ccc(cc1)N1CCN(CCCCCn2cc[nH]c2=O)CC1
O=c1[nH]c2ccccc2n1CCCCCN1CCCN(CC1)c1ccccn1
Cc1ccc(cc1)N1CCCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
O=c1[nH]c2ccccc2n1CCCCCN1CC2(C1)CN(C2)c1ccccn1
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
NCCc1cc2cc(ccc2[nH]1)C(N)=O
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
CN(C)CCc1cccc(c1)-c1c(C)nn(C)c1C
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
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
COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
CCC1(CC)CC(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)OC1=O
CCC1(CC)CC(CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)OC1=O
Fc1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
Clc1cccc(N2CCN(CCC3CCN(CC3)S(=O)(=O)c3cccc4ncccc34)CC2)c1Cl
Clc1ccc(cc1Cl)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
Clc1ccc(cc1Cl)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
O=S(=O)(N1CCC(CCN2CCN(CC2)c2ccccc2)CC1)c1cccc2ncccc12
Clc1ccc(cc1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
Fc1ccc(cc1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
Clc1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
Clc1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
Fc1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
Clc1cccc(N2CCN(CCC3CCN(CC3)S(=O)(=O)c3cncc4ccccc34)CC2)c1Cl
O=S(=O)(N1CCC(CCN2CCN(CC2)c2ccccc2)CC1)c1cncc2ccccc12
Fc1ccc(cc1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Fc1ccc(cc1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Clc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Clc1ccc(cc1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:17|
Cc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:18|
Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Cc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCNS(=O)(=O)c2cccc(C)c2)CC1 |t:13|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCCNS(=O)(=O)c2cccc(C)c2)CC1 |t:13|
Fc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Fc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 |t:13|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 |t:13|
Clc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8|
Fc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Fc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Clc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Clc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Clc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Oc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Oc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Fc1ccc(cc1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Clc1ccc(cc1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:19|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCNS(=O)(=O)c2cccc(C)c2)CC1 |t:13|
Fc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 |t:13|
Clc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8|
Fc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Oc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
C(CCOc1cccc2ccccc12)CCN1CCCCC1
C(CCOc1cccc2ccccc12)CCN1CCCCCC1
CCc1nc2c(ccnc2n1Cc1cccc(F)c1)N1CCNCC1
CCc1nc2c(ccnc2n1Cc1cccc(Cl)c1)N1CCNCC1
CC(C)c1nc2c(ccnc2n1Cc1cccc(F)c1)N1CCNCC1
CC(C)c1nc2c(ccnc2n1Cc1cccc(Cl)c1)N1CCNCC1
O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
COc1ccc(cc1)C1(C)NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(C)cc2)CC1
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccccc2F)CC1
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2cccc(F)c2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(Cl)cc1
COc1ccc(cc1)C1(C)NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(Cl)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(Br)cc1
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccccc2)CC1
CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)CC1
OC(CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ccccc1C#N
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(Br)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccccc1
COc1ccc(cc1)C1(C)NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C1=O
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(Cl)cc1
O[C@H](CCN1CCc2onc(c2C1)-c1ccc(F)c(F)c1)c1ccccc1 |r|
CC(CC(C)(C)c1ccc(C)o1)NCc1ccc(cc1)C(F)(F)F
CC(NCCC(Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1
CCC1(C)CC(CCNCc2ccccc2)(CCO1)c1ccc(C)cc1
COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
COc1cc(CNCCC2=CCCCC2)ccc1OCc1ccccc1 |t:9|
CC(NCCC(c1ccco1)c1ccc(F)cc1)c1ccc(C)cc1
CC(NCc1cc(Br)ccc1OCc1ccc(C)cc1)c1ccccc1
COc1ccc(CNCCC(c2ccco2)c2ccccc2OC)cc1
FC(F)(F)C1(Nc2ccccn2)N=C(N(Cc2ccccc2)C1=O)c1ccccc1 |c:13|
CC(NCCC(c1ccco1)c1ccc(C)cc1)c1ccc(Cl)cc1
CCC1(C)CC(CCNCc2ccc(OC)c(OC)c2)(CCO1)c1ccc(C)cc1
CC(C)c1ccccc1OCC(O)CN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCC(C)N1CCC(CC1)NS(=O)(=O)c1cccc(F)c1
CC(COc1ccccc1-c1ccccc1)N1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
CC(COc1ccccc1-c1ccccc1)N1CCC(CC1)NS(=O)(=O)c1cccc(Cl)c1
CC(C)c1ccccc1OCC(C)N1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCCCN1CCC(CC1)NS(=O)(=O)c1cccc(F)c1
CC(C)c1ccccc1OCCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
Clc1cccc(c1)S(=O)(=O)NC1CCN(CCCOc2ccccc2-c2ccccc2)CC1
Fc1ccc(cc1)S(=O)(=O)NC1CCN(CCCOc2ccccc2-c2ccccc2)CC1
CC(C)c1ccccc1OCC(O)CN1CCC(CC1)NS(=O)(=O)c1cccc(F)c1
OC(COc1ccccc1-c1ccccc1)CN1CCC(CC1)NS(=O)(=O)c1cccc(Cl)c1
OC(COc1ccccc1-c1ccccc1)CN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
OC(CN1CCN(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Clc1ccc(CCN2CCN(CC2)c2nsc3ccccc23)cc1Cl
Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3
Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1Cl
CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(F)cc1
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1N=C(S[C@@H]1C)c1ccccc1O |r,c:16|
CCCCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:16|
[H][C@]12CCC[C@@]1([H])N=C(S2)c1ccccc1O |r,c:8|
CCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:14|
Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(S1)c1ccccc1 |t:8|
C[C@@H]1SC(=N[C@H]1CO)c1ccccc1 |r,c:3|
CNc1ccccc1C1=N[C@@H](CO)[C@H](C)S1 |r,t:9|
C[C@@H]1SC(=N[C@H]1CO)c1c[nH]c2ccccc12 |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1ccco1 |r,c:3|
CCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:12|
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|
C[C@@H]1SC(=N[C@@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|
C[C@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|
NC(=O)c1csc(n1)-c1ccccc1O
NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Oc1ccccc1-c1nc(C=O)cs1
C[C@@H]1SC(=N[C@H]1[C@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1cccs1 |r,c:3|
OC[C@@H]1CSC(=N1)c1ccccc1O |r,c:5|
Oc1ccccc1C1=NC(Cc2c[nH]cn2)CS1 |t:8|
C[C@@H]1SC(=N[C@H]1CO)c1cc2ccccc2cc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1ccsc1 |r,c:3|
C[C@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1[C@@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|
COc1ccc(cc1)N1CCN(CCCOc2c(C)cc(C)cc2C)CC1
COc1ccccc1N1CCN(CCCOc2c(C)cccc2C)CC1
Cc1cc(OCCCN2CCN(CC2)c2ccccc2)ccc1Cl
COc1ccccc1N1CCN(CCOCCOc2cc(C)cc(C)c2C)CC1
Cc1cc(C)c(OCCOCCN2CCN(Cc3ccccc3)CC2)c(C)c1
COc1ccccc1N1CCN(CCOCCOc2c(C)cc(C)cc2C)CC1
Cc1cccc(OCCOCCN2CCN(CCc3ccccc3)CC2)c1C
Cc1cc(C)c(C)c(OCCOCCN2CCN(CCO)CC2)c1
COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1
Cc1cc(C)c(OCCOCCN2CCN(CCc3ccccc3)CC2)c(C)c1
Clc1ccc(cc1)N1CCN(CCCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1cccc(c1)N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1ccc(cc1Cl)N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1ccc(cc1)C1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Fc1ccc(cc1)N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1ccc(cc1)C(=O)N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
Clc1ccc(cc1)N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1ccccc1N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1ccc(OC2CCN(CCN3CCC4(C3)C(=O)Nc3ccccc43)CC2)cc1
Fc1ccc(cc1)C1=CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1 |t:8|
Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
Fc1ccc(cc1)C1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
O=C1Nc2ccccc2C11CCN(CCN2CCN(CC2)c2ccccc2)C1
Clc1ccc(cc1)-c1nn(Cc2ccccc2)c2CCNCCc12
CCn1cncc1-c1c[nH]c2ccc(OC)cc12
CCCN(CCC)C1CCc2c(O)cccc2C1
CNC(=O)CN1C2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCC2c2ccccc12
CN(C)[C@H]1CCc2c(C1)cccc2-c1c(C)nn(C)c1C |r,wD:3.2,(25.25,-11.88,;25.26,-10.34,;26.59,-9.58,;23.93,-9.57,;23.93,-8.02,;22.58,-7.23,;21.24,-8.01,;21.24,-9.57,;22.58,-10.34,;19.91,-10.33,;18.58,-9.56,;18.58,-8.02,;19.91,-7.25,;19.9,-5.71,;21.14,-4.8,;22.6,-5.28,;20.66,-3.34,;19.12,-3.35,;18.21,-2.1,;18.65,-4.81,;17.18,-5.29,)|
Clc1ccc(CC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1 |r|
CCc1cc(nc(n1)N1CCN(C)CC1)-c1ccoc1
CCn1cncc1-c1c[nH]c2ccc(I)cc12
COc1cccc(CCN2CCN(CC2)c2ccccc2OC)c1
O=C1N(CCCCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
CN(C)CCc1cc(ccc1O)-c1c(C)nn(C)c1C
COc1cccc(CCN2CCN(CC2)c2ccccc2-c2ccccc2)c1
CCCCc1cc(nc(n1)N1CCN(C)CC1)-c1ccoc1
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1
Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Cc1ccccc1-c1noc2CCNCCc12
FC(F)(F)c1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
Clc1cccc(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Ic1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
O=S(=O)(NC1CCN(CCOc2cccc(c2)-c2ccccc2)CC1)c1ccccc1
Cc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
Brc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2cccc(Br)c2)CC1
Brc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2cccc(Br)c2)c1
Clc1cccc(c1)S(=O)(=O)NC1CCN(CCOc2cccc(Br)c2)CC1
Brc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2Br)c1
Brc1ccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)cc1
Clc1ccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)cc1
CC(C)c1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
Cc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
Clc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
FC(F)(F)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
Ic1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
Clc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
Clc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Brc1cccc(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Brc1ccccc1S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1ccccc1
Brc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1I
Brc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
Brc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Clc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2cccc(Br)c2)CC1
Brc1ccc(I)c(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
CC(C)(C)c1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
CC(C)(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
Brc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
Ic1ccccc1S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Clc1ccccc1S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
O=S(=O)(N1CCCCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
Clc1ccc2[nH]cc(C3=CCN(CC[C@@H]4CCCN4S(=O)(=O)c4cccc5ncccc45)CC3)c2c1 |r,t:8|
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
O=S(=O)(N1CC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2OCCOc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCCCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2[nH]ccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
Clc1ccc2[nH]cc(C3=CCN(CC[C@H]4CCCN4S(=O)(=O)c4cccc5ncccc45)CC3)c2c1 |r,t:8|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2OCCOc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCCCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1ccnc2ccccc12 |r|
O=S(=O)(N1CC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2[nH]ccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2[nH]ccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2cnccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2cnccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1noc2ccccc12)c1cccc2cnccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1noc2ccccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ncccc23)CC1 |r|
Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1 |r|
Clc1ccc2[nH]cc(C3=CCN(CC[C@H]4CCCN4S(=O)(=O)c4cncc5ccccc45)CC3)c2c1 |r,t:8|
Clc1ccc2[nH]cc(C3=CCN(CC[C@@H]4CCCN4S(=O)(=O)c4cncc5ccccc45)CC3)c2c1 |r,t:8|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2OCCOc12)c1cccc2ncccc12 |r|
O=c1[nH]c2c(cccc2o1)N1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1 |r|
O=c1[nH]c2c(cccc2o1)N1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1 |r|
O=c1[nH]c2c(cccc2o1)N1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ncccc23)CC1 |r|
O=S(=O)(N1CCCCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1ccnc2ccccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2[nH]ccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1noc2ccccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2OCCOc12)c1cccc2ncccc12 |r|
Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ncccc23)CC1 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
Fc1cccc(c1)-c1c(F)cccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1cccc(c1)-c1ccc(F)cc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1
Fc1cccc(c1)-c1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3F)c2c1
Fc1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1
Fc1cccc(c1)-c1cc(F)ccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCCCc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1
[#8]C1([#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-[#6]1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
O=C1Nc2cccc3CCCC1(CCN1CCN(CC1)c1ccccc1)c23
O=C1Nc2cccc3CCCC1(CCCN1CCN(CC1)c1ccccc1)c23
O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1C#N)c23
COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1)c23
O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)C1CCCCC1)c23
O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccn1)c23
CN(C)C(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
NC(=O)c1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
NC(=O)C1(CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1)c1ccccc1
Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
COc1cccc(c1)N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
COc1ccc2NC(=O)C3(CCCCN4CCC(=CC4)c4ccccc4)CCCc1c23 |c:17|
Fc1ccc(cc1)C1=CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 |t:8|
CC(=O)C1(CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1)c1ccccc1
OC1(CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1)c1ccccc1
CC(=O)c1ccc2NC(=O)C3(CCCCN4CCC(=CC4)c4ccccc4)CCCc1c23 |c:18|
Clc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
COCn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
Cc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
Oc1ccc2NC(=O)C3(CCCCN4CCC(=CC4)c4ccccc4)CCCc1c23 |c:16|
Brc1ccc2NC(=O)C3(CCCCN4CCC(=CC4)c4ccccc4)CCCc1c23 |c:16|
CC(=O)c1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ncccn1)c23
[O-][N+](=O)c1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
O=C1Nc2cccc3CCCC1(CCCCN1CCc4c(C1)[nH]c1ccccc41)c23
COC1(CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1)c1ccccc1
CC(=O)n1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
O=C1Nc2cccc3CCCC1(CCCCN1CCC(CC1)c1ccccc1)c23
COc1ccc(cc1)N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
NC(=O)c1ccc2NC(=O)C3(CCCCN4CCC(=CC4)c4ccccc4)CCCc1c23 |c:18|
CN1C(=O)C2(CCCCN3CCC(=CC3)c3ccccc3)CCCc3cccc1c23 |c:12|
NC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
COc1ccc2[nH]c3CN(CCCCC45CCCc6cccc(NC4=O)c56)CCc3c2c1
Cc1ccc(cc1)C1=CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 |t:8|
Cc1cccc(C)c1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
CNC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
CN(C)C(=O)n1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
C=CCn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
FC(F)(F)c1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@]1(C)O[C@@]2(O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(C)C)N2C1=O)c34 |c:12|
NCCCC1(CCCN)CCc2cccc(O)c2C1
COc1ccc2[nH]cc(CCN3CCCC3)c2c1
[#6]-c1c(cccc1-c1ccccc1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
CCCN(CCC)[C@@H]1CCc2cccc(OC)c2C1
COc1ccc2C[C@H](N)CCc2c1 |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1cccc2ccccc12 |r|
COc1ccc2cccc(N3CCNCC3)c2c1
CCCN(CCC)[C@@H]1CCc2cccc(c2C1)O
COc1cccc2CC[C@@H](N)Cc12 |r|
CCCN(CCC)[C@H]1CCc2cccc(OC)c2C1
CCN(CC)[C@@H]1CCc2cccc(OC)c2C1 |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1c(C)[nH]c(C)c1C |r,wU:3.2,(6.7,1.36,;5.37,.6,;4.61,1.92,;4.04,-.17,;4.04,-1.72,;2.69,-2.49,;1.35,-1.72,;1.37,-.17,;2.7,.62,;.03,.6,;-1.29,-.17,;-1.29,-1.7,;.03,-2.47,;.05,-4.02,;1.29,-4.91,;2.74,-4.44,;.81,-6.37,;-.72,-6.37,;-1.63,-7.62,;-1.2,-4.91,;-2.66,-4.44,)|
CC1CCN(CCCCN2C(=O)c3cccc4cccc2c34)CC1
CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2O)c-31 |wD:10.11,(3.15,-8.39,;3.15,-6.86,;4.49,-6.09,;4.51,-4.55,;3.18,-3.79,;3.2,-2.22,;1.86,-1.42,;.49,-2.19,;.49,-3.75,;1.83,-4.55,;1.83,-6.09,;.49,-6.86,;-.83,-6.09,;-2.17,-6.86,;-3.49,-6.09,;-3.49,-4.55,;-2.17,-3.75,;-2.21,-2.06,;-3.61,-1.42,;-4.85,-2.28,;-3.73,.12,;-2.45,1.01,;-1.08,.34,;-.95,-1.19,;.38,-.39,;-.83,-4.52,)|
O=C1N(CCCCCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
O=C1N(CCCCN2CCC(CC2)C2CCCCC2)c2cccc3cccc1c23
CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
[H][C@@]12Cc3cn(C)c4cccc(C1=C[C@H](CN2C)C(=O)NC(CC)CO)c34 |c:13|
CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1
C[C@H](CCN1CCC(C)CC1)C(C)S(=O)(=O)c1cccc2ccccc12
COc1ccccc1N1CCN(CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
O=C1N(CCCCN2CCCCC2)c2cccc3cccc1c23
O=C1N(CCCCSc2ncc[nH]2)c2cccc3cccc1c23
COc1cccc(c1)S(=O)(=O)N1CCC[C@H]1CCN1CCC(C)CC1
COc1cccc(OC)c1-c1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12 |wD:16.17,(7.32,-7.03,;8.71,-7.68,;9.98,-6.81,;9.85,-5.28,;11.11,-4.41,;12.5,-5.06,;12.63,-6.59,;14.14,-6.11,;14.33,-4.57,;11.35,-7.46,;11.39,-9.18,;10.07,-9.94,;10.07,-11.48,;11.39,-12.25,;12.73,-11.48,;14.07,-12.25,;15.39,-11.48,;16.72,-12.25,;16.7,-13.78,;18.06,-11.49,;18.06,-9.94,;16.75,-9.18,;16.75,-7.62,;15.41,-6.84,;14.07,-7.61,;14.07,-9.15,;15.41,-9.94,;12.73,-9.94,)|
CC1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
COc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
CC1CCN(CC[C@@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
O=C1N(CCCCCN2CCN(CC2)C2CCCCC2)c2cccc3cccc1c23
O=C1N(CCCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
COc1ccccc1N1CCN(CCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
C[C@H](CCN1CCC[C@H](C)C1)C(C)S(=O)(=O)c1cccc2ccccc12
CN1CCN(CCCCN2C(=O)c3cccc4cccc2c34)CC1
O=S1(=O)N(CCCCCN2CCC(CC2)C2CCCCC2)c2cccc3cccc1c23
CC(C)C1CCN(CCCCN2C(=O)c3cccc4cccc2c34)CC1
CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31 |wD:10.11,(21.5,-8.8,;21.5,-7.27,;22.84,-6.51,;22.87,-4.98,;21.53,-4.21,;21.56,-2.65,;20.23,-1.86,;18.86,-2.62,;18.86,-4.18,;20.19,-4.98,;20.19,-6.51,;18.86,-7.27,;17.55,-6.51,;16.21,-7.27,;14.91,-6.51,;14.91,-4.98,;16.21,-4.18,;16.18,-2.49,;14.78,-1.86,;13.54,-2.72,;14.66,-.33,;15.93,.56,;17.3,-.11,;17.42,-1.63,;18.76,-.84,;20.07,-.07,;17.55,-4.95,)|
COc1ccccc1N1CCN(CCCCN2C(=O)c3cccc4cccc2c34)CC1
O=C1N(CCCCCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23 |c:11|
C[C@@H](CCN1CCC[C@@H](C)C1)C(C)S(=O)(=O)c1cccc2ccccc12
CC(C)C1CCN(CCCCCN2C(=O)c3cccc4cccc2c34)CC1
COc1ccccc1N1CCN(CN2C(=O)c3cccc4cccc2c34)CC1
O=C1N(CCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
C[C@@H](CCN1CCC[C@H](C)C1)C(C)S(=O)(=O)c1cccc2ccccc12
COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4cccc2c34)CC1
CC1CCN(CCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
O=C1N(CCCCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23 |c:10|
CN1CCN(CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
O=C1N(CN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
O=C1N(CCCCN2CCC(CC2)c2ccccc2)c2cccc3cccc1c23
C[C@H](CCN1CCC(C)CC1)C(C)S(=O)(=O)c1cc(Br)c(Br)cc1-c1cccs1
CN1CCN(CC1)[C@H]2Cc3ccccc3Sc4c2cc(cc4)SC
O=S1(=O)N(CCCCN2CCCCC2)c2cccc3cccc1c23
COc1ccccc1N1CCN(CCCCCN2C(=O)c3cccc4cccc2c34)CC1
O=S1(=O)N(CCCCCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|
O=S1(=O)N(CCCCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
C[C@H](CCN1CCC[C@@H](C)C1)C(C)S(=O)(=O)c1cccc2ccccc12
O=C1N(CCCCN2CCN(CC2)C2CCCCC2)c2cccc3cccc1c23
O=S1(=O)N(CCCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
COc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
C[C@H](CCN1CCC(C)CC1)C(C)S(=O)(=O)c1ccc(Cl)c(Cl)c1
C[C@H](CCN1CCC(C)CC1)C(C)S(=O)(=O)c1ccc(Br)c(Br)c1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)C=Cc1ccccc1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
O=C(C=Cc1ccccc1)N(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)Cc1cccnc1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
O=S(=O)(c1ccccc1)C1(CCCN2CCC(C2)c2ccccc2)CCC1
CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1
CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1
O=S(=O)(CCCCN1CCC2CCCCC2C1)c1ccccc1
CN(C)CCCC1(CCC1)S(=O)(=O)c1ccccc1
O=S(=O)(c1ccccc1)C1(CCCN2CCC(CC2)c2ccccc2)CCC1
O=S(=O)(c1ccccc1)C1(CCCCN2CCC(C2)c2ccccc2)CCC1
O=S(=O)(c1ccccc1)C1(CCCN2CCC3CCCCC3C2)CCC1
CCOC(=O)[C@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1
O=S(=O)(c1ccccc1)C1(CCCN2CCCCC2)CCC1
O=S(=O)(c1ccccc1)C1(CCN2CCC(C2)c2ccccc2)CCC1
CC(C)(CCCN1CCCC(C1)c1ccccc1)S(=O)(=O)c1ccccc1
O=S(=O)(c1ccccc1)C1(CCCN2CCOCC2)CCC1
O=S(=O)(c1ccccc1)C1(CCCN2CCN(CC2)c2ccccc2)CCC1
CN1CCN(CCCC2(CCC2)S(=O)(=O)c2ccccc2)CC1
O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1
CC(C)(CCCN1CCCC(C1)C(F)(F)F)S(=O)(=O)c1ccccc1
CC(C)(CCCN1CCCC(C1)c1cnco1)S(=O)(=O)c1ccccc1
CC1CCN(CCCC2(CCC2)S(=O)(=O)c2ccccc2)CC1
C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
COc1ccccc1N1CCN(Cc2ccc3oc4ccccc4c(=O)c3c2)CC1
COc1ccc2c(c1)oc1ccc(CN3CCN(CC3)c3ccccc3OC)cc1c2=O
COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O
COc1ccc2c(c1)oc1ccc(CN3CCN(Cc4ccccc4)CC3)cc1c2=O
COc1ccc2c(c1)oc1ccc(CN3CCN(C)CC3)cc1c2=O
CN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
OCCN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
[11CH3]N1C(=O)C2(CCCCCN3CCc4sccc4C3)CCCc3cccc1c23
COc1ccc(cc1)-c1ccccc1N1CCNCC1
COc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2cccnc2-c2ccncc2)cc1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccn2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
COc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ncccc2-c2ccncc2)cc1
Fc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ncccc2-c2ccncc2)cn1
COc1ccc(CNC(=O)CCOCCN2CCN(CC2)c2cccc(c2)-c2ccccc2OC)cc1
Fc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2cccnc2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccccn2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccncc2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(F)nc2)CC1
COc1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ccccc2-c2ccccc2C)cc1
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2cccnc2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
Cc1ccccc1-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
Fc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2cccnc2-c2ccncc2)cn1
COc1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ccccc2-c2ccc(F)cc2)cc1
COc1ccccc1-c1cccc(c1)N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
COc1ccccc1N1CCN(Cc2cn(-c3ccccn3)c3ccccc23)CC1
C(N1CCN(CC1)c1ccccc1)c1cn(-c2ccccc2)c2ccccc12
C(N1CCN(CC1)c1ccccc1)c1cn(-c2cccnc2)c2ccccc12
CCc1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
COc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c3ccccc23)CC1
C(N1CCN(CC1)c1ccccc1)c1cn(-c2ccccn2)c2ccccc12
N#Cc1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
FC(F)(F)c1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
COc1ccccc1N1CCN(Cc2cn(-c3cccc4ccccc34)c3ccccc23)CC1
COc1ccccc1N1CCN(Cc2cn(-c3cccc(C)c3C)c3ccccc23)CC1
COc1ccccc1N1CCN(Cc2cn(-c3ccccc3C(C)C)c3ccccc23)CC1
C(N1CCN(CC1)c1ccccc1)c1cn(-c2ccc(cc2)-c2ccccc2)c2ccccc12
Cc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
CN1CCN(Cc2cn(-c3ccccc3C)c3ccccc23)CC1
COc1ccccc1N1CCN(Cc2cn(-c3ccccc3C)c3ccccc23)CC1
COc1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
CC(C)c1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
Cc1cccc(c1)-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
Oc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c3ccccc23)CC1
C(N1CCC(=CC1)c1ccccc1)c1cn(-c2ccccc2)c2ccccc12
Oc1ccccc1N1CCN(Cc2cn(-c3cccc4ccccc34)c3ccccc23)CC1
CN(C)CCc1cn(-c2ccccc2C)c2ccccc12
CN(C)CCc1cn(-c2ccccc2)c2ccccc12
COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C)CC1
CN(C)CCc1cn(-c2cccc(C)c2C)c2ccccc12
Cc1ccccc1-n1cc(CN2CCC(=CC2)c2ccccc2)c2ccccc12
CN(C)CCc1cn(-c2cccc3ccccc23)c2ccccc12
C(N1CCN(CC1)c1ccccc1)c1cn(-c2ccc3ccccc3c2)c2ccccc12
Cc1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
C(N1CCN(CC1)c1ccccc1)c1cn(-c2cccc3ccccc23)c2ccccc12
Cc1cccc(c1C)-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
[#7][#6](-[#7])=[#7][#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
[#6]-[#6]-[#6]-[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
[#6]-[#6]C1([#8]-[#6])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
[#7][#6](-[#7])=[#7][#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]3)c2c1
[#7][#6](-[#7])=[#7][#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#8]-[#6]-[#6]3)c2c1
[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
[#6]-[#8]C1([#6])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
[#7][#6](-[#7])=[#7][#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#6]3)c2c1
[#6]-[#8]-[#6]C1([#8]-[#6])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
[#6]-[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
FC(F)(F)c1cccc(c1)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Fc1ccccc1N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Clc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Clc1ccc(cc1Cl)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
COc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
FC(F)(F)c1ccccc1N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
O=C1N(CCCCCCN2CCN(CC2)c2cccc3cccnc23)S(=O)(=O)c2ccccc12
O=C1N(CCCCCCN2CCN(CC2)c2ccccn2)S(=O)(=O)c2ccccc12
O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)S(=O)(=O)c2ccccc12
Clc1ccccc1N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Clc1cccc(N2CCN(CCCCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1Cl
O=C1N(CCCCCCN2CCN(CC2)c2cccc3ccccc23)S(=O)(=O)c2ccccc12
O=C1N(CCCCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
O=C1N(CCCCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1ccc(cc21)-c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(C)cc(C)c21 |r|
[H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21 |r|
[H][C@@]12CCN(C)[C@]1(C)CN(c1ccccc1)c1ccccc21 |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)CN(c1ccc(Br)cc1)c1ccc(Br)cc21 |r|
[H][C@@]12CCN[C@]1(C)COc1ccc(OC)cc21 |r|
[H][C@@]12CCN[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccc(C)cc1)c1ccc(C)cc21 |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N |r|
CC[C@H]1c2c(OC[C@@]1(C)N)ccc1ccccc21 |r|
[H][C@@]12CCN(C)[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
COc1ccc(Cl)cc1N1CCN(CCCCc2nc3ccsc3c(=O)[nH]2)CC1
O=c1[nH]c(CCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc12
CN(C)CCSc1nc2c3ccccc3sc2c(=O)[nH]1
COC(=O)c1sccc1NC(=O)CCCCN1CCN(CC1)c1ccccc1
Clc1cccc(c1)N1CCN(CCCCc2nc3ccsc3c(=O)[nH]2)CC1
O=c1[nH]c(CCCCN2CCN(Cc3ccccc3)CC2)nc2ccsc12
O=c1[nH]c(CCCCN2CCN(CC2)c2ccccc2)nc2cc(sc12)-c1ccccc1
CN(C)CCSc1cccc(n1)-c1ccccc1
CN(C)CCSc1nc2ccsc2n2cccc12
O=c1[nH]c(CCCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc12
O=c1[nH]c(CCCCCN2CCN(Cc3ccccc3)CC2)nc2c3ccccc3sc12
O=c1[nH]c(CCCCN2CCC(Cc3ccccc3)CC2)nc2c3ccccc3sc12
Nn1c(CCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc2c1=O
O=c1[nH]c(SCCCN2CCC(Cc3ccccc3)CC2)nc2c3ccccc3sc12
O=c1[nH]c(SCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc12
O=c1[nH]c(SCCN2CCCC2)nc2c3ccccc3sc12
NCCSc1nc2c3ccccc3sc2c(=O)[nH]1
NC(=O)c1sccc1NC(=O)CCCCN1CCN(CC1)c1ccccc1
O=c1[nH]c(CCCCN2CCC(Cc3ccccc3)CC2)nc2ccsc12
O=c1[nH]c(CCCCCN2CCC(Cc3ccccc3)CC2)nc2c3ccccc3sc12
Clc1cccc(c1)N1CCN(CCCCc2nc3c4ccccc4sc3c(=O)[nH]2)CC1
O=c1[nH]c(CCCCN2CCN(CC2)c2ccccc2)nc2ccsc12
O=C1NC2C=CC=C3CCCC1(CCCCN1CCN(CC1)c1ccccc1)C23 |c:4,t:6|
Cn1c(CCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc2c1=O
O=c1[nH]c(CCCCN2CCN(Cc3ccccc3)CC2)nc2c3ccccc3sc12
O=c1[nH]c(SCCCN2CCN(Cc3ccccc3)CC2)nc2c3ccccc3sc12
O=c1[nH]c(SCCN2CCCCC2)nc2c3ccccc3sc12
Fc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccccc45)CC3)c2c1
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2ccccc12
CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl
COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccc(F)cc45)CC3)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccccc45)CC3)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1
COc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(OC)cc23)o1
FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
C(Cc1c[nH]c2ccccc12)NCc1ccc(o1)-c1ccccc1
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cccc(O)c3)c2c1
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cn[nH]c3)c2c1
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1
CN(CCc1c[nH]c2ccccc12)Cc1ccc(o1)-c1ccccc1
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3cc(F)ccc23)o1
Cc1ccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cnc4ccccc4c3)c2c1
COc1cccc(c1)-c1ccc(CNCCc2c[nH]c3ccc(OC)cc23)o1
COc1cccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c12
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(F)cc23)o1
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccccc23)o1
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(Cl)cc3)c2c1
COc1ccc2[nH]c(C)c(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC1CCCC1
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC1CCCC1
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC1CCCC1
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC1CCCC1
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
O=C1Cc2ccccc2N1CC\C=C\CCN1CCc2ccccc2C1
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
CC(Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
COc1cccc(OC)c1-c1cccc(CCN(C)C)c1
CNC(=O)Cn1c2CCN(CCCCC34CCCc5cccc(NC3=O)c45)Cc2c2ccccc12
COc1ccccc1N1CCN(Cc2cn(-c3cccc4ccccc34)c3ccccc23)CC1
Clc1ccc(OC2CCN(CC[C@@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1 |r|
CCOc1ccccc1N1CCN(CCCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
NCCc1c[nH]c2ccc(cc12)C(O)=O
CC(Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1
O=S(=O)(c1ccccc1)n1cc(-c2c[n+]3cccnc3[nH]2)c2ccccc12
COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1cccc2ccccc12
CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccccc1
CCc1nc(N)[nH]c1-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3cnc(N)[nH]3)c2c1)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1cccc(F)c1
Cc1nc(N)[nH]c1-c1cn(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1ccc2ccccc2c1
CC(=O)Nc1ncc([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
CCc1nc(NC(C)=O)[nH]c1-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
CCc1nc(NC(C)=O)[nH]c1-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3[nH]c(NC(=O)Cc4ccccc4)nc3C)c2c1)S(=O)(=O)c1ccccc1
CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccc(F)cc12)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3[nH]c(NC(C)=O)nc3C)c2c1)S(=O)(=O)c1cccc(F)c1
CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1cccc(F)c1
COc1ccc2n(cc(-c3[nH]c(NC(C)=O)nc3C)c2c1)S(=O)(=O)c1ccc2ccccc2c1
CC(=O)N1CCn2c1nc(C)c2-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |(71.4,-24.98,;69.89,-25.31,;68.85,-24.18,;69.43,-26.78,;67.97,-27.27,;67.99,-28.81,;69.46,-29.27,;70.35,-28.02,;71.83,-28.49,;71.83,-30.03,;73.09,-30.93,;70.37,-30.51,;69.91,-31.98,;70.82,-33.22,;69.92,-34.48,;68.45,-34.01,;67.11,-34.79,;65.78,-34.02,;65.78,-32.47,;67.11,-31.7,;68.45,-32.47,;70.4,-35.93,;71.89,-35.53,;71.5,-37.02,;69.39,-37.09,;67.88,-36.77,;66.86,-37.92,;67.34,-39.38,;68.86,-39.69,;69.87,-38.54,)|
CC(=O)N1CCCn2c1nc(C)c2-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |(12.77,-3.16,;11.24,-3.01,;10.6,-1.6,;10.34,-4.26,;8.81,-4.11,;7.92,-5.36,;8.56,-6.76,;10.08,-6.9,;10.98,-5.65,;12.45,-6.12,;12.46,-7.66,;13.71,-8.56,;11,-8.14,;10.53,-9.61,;11.45,-10.85,;10.55,-12.11,;9.08,-11.64,;7.74,-12.42,;6.4,-11.65,;6.41,-10.1,;7.73,-9.33,;9.07,-10.1,;11.03,-13.56,;12.51,-13.16,;12.12,-14.65,;10.01,-14.72,;8.51,-14.4,;7.48,-15.55,;7.97,-17.02,;9.48,-17.32,;10.5,-16.17,)|
COc1ccc2n(cc(-c3[nH]c4cccc[n+]4c3C)c2c1)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3[nH]c4nccc[n+]4c3C)c2c1)S(=O)(=O)c1ccccc1
CC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1ccccc1
CC(=O)Nc1nc(C)c([nH]1)-c1c(C)n(c2ccccc12)S(=O)(=O)c1ccccc1 |(38.19,-30.7,;38.67,-32.16,;40.17,-32.48,;37.64,-33.31,;38.11,-34.77,;39.58,-35.25,;39.58,-36.79,;40.82,-37.69,;38.11,-37.26,;37.21,-36.02,;37.64,-38.72,;38.55,-39.98,;40.09,-39.97,;37.64,-41.23,;36.16,-40.75,;34.83,-41.52,;33.49,-40.75,;33.5,-39.21,;34.82,-38.44,;36.16,-39.2,;38.11,-42.69,;37.71,-44.18,;36.62,-43.08,;39.62,-43.02,;40.64,-41.87,;42.14,-42.18,;42.63,-43.65,;41.59,-44.79,;40.09,-44.48,)|
CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
Cc1nc(N)[nH]c1-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
CCc1nc(N)[nH]c1-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccccc1
Nc1ncc([nH]1)-c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3[nH]c(NC(C)=O)nc3C)c2c1)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3cnc(NC(C)=O)[nH]3)c2c1)S(=O)(=O)c1cccc(F)c1
COc1ccc2n(cc(-c3[nH]c(NC(C)=O)nc3C)c2c1)S(=O)(=O)c1cccc2ccccc12
COc1ccc2n(cc(-c3nc4NCCCn4c3C)c2c1)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3[nH]c(NCc4ccccc4)nc3C)c2c1)S(=O)(=O)c1ccccc1
CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccc2ccccc2c1
Nc1ncc([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3cnc(NC(C)=O)[nH]3)c2c1)S(=O)(=O)c1ccccc1
Cc1nc(N)[nH]c1-c1ccc2ccn(c2c1)S(=O)(=O)c1ccccc1
CN1CCN(CC1)c1nc(N)nc(COc2ccc(Cl)c(C)c2)n1
CN1CCN(CC1)c1nc(N)nc(COc2ccccc2)n1
CN1CCN(CC1)c1nc(N)nc(COc2ccccc2Cl)n1
CC(C)c1ccc(C)cc1OCc1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(COc2ccccc2C)n1
CN1CCN(CC1)c1nc(N)nc(COc2ccc(Cl)cc2Cl)n1
CC(Oc1cccc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
CC(Oc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CC(Sc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(C[Se]c2ccccc2)n1
CN1CCN(CC1)c1nc(N)nc(CS(=O)(=O)c2ccccc2Cl)n1
CN1CCN(CC1)c1nc(N)nc(COc2cccc(Cl)c2)n1
CN1CCN(CC1)c1nc(N)nc(COc2ccc(Cl)cc2C)n1
CN1CCN(CC1)c1nc(N)nc(CSc2ccccc2)n1
CC([Se]c1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(COc2cccc(C)c2)n1
CN1CCN(CC1)c1nc(N)nc(CSc2ccccc2Cl)n1
CN1CCN(CC1)c1nc(N)nc(COc2ccc(C)cc2)n1
Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(33.29,-6.1,;31.96,-5.32,;31.97,-3.79,;30.64,-3.01,;29.3,-3.78,;29.3,-5.32,;30.63,-6.09,;30.62,-7.62,;29.29,-8.39,;27.96,-7.61,;26.63,-8.39,;26.63,-9.93,;27.96,-10.69,;29.28,-9.93,;30.61,-10.7,;30.6,-12.24,;31.94,-9.94,;33.27,-10.72,;34.61,-9.96,;35.94,-10.74,;37.28,-9.97,;38.61,-10.75,;39.94,-9.99,;41.27,-10.78,;41.25,-12.32,;39.91,-13.08,;38.59,-12.3,;39.9,-14.62,;38.65,-15.51,;39.11,-16.98,;40.64,-16.99,;41.66,-18.14,;43.17,-17.84,;43.65,-16.37,;42.64,-15.23,;41.14,-15.53,;31.95,-8.4,;33.29,-7.64,)|
Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(55.11,-5.24,;53.78,-4.47,;53.79,-2.93,;52.45,-2.15,;51.11,-2.93,;51.12,-4.46,;52.44,-5.23,;52.44,-6.77,;51.11,-7.54,;49.78,-6.76,;48.45,-7.54,;48.45,-9.08,;49.78,-9.84,;51.1,-9.08,;52.42,-9.85,;52.42,-11.39,;53.76,-9.09,;55.09,-9.87,;56.43,-9.1,;57.76,-9.88,;59.1,-9.12,;60.43,-9.9,;61.75,-9.14,;63.08,-9.92,;63.07,-11.47,;61.73,-12.22,;60.41,-11.44,;61.72,-13.76,;60.46,-14.65,;60.93,-16.12,;62.46,-16.13,;63.48,-17.29,;64.98,-16.98,;65.47,-15.52,;64.45,-14.37,;62.95,-14.68,;53.77,-7.55,;55.11,-6.79,)|
Clc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O
O=c1c(-c2ccccc2)c2CCCCn2c(=O)n1CCCCN1CCCC(C1)c1c[nH]c2ccccc12
Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
[H][C@]12CC[C@]([H])(C1)[C@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,TLB:9:7:3.2:6|
N[C@H]1CCCC[C@@H]1NC(=O)c1c2N[C@@H]3CCCC[C@H]3Nc2c2C(=O)c3ccccc3-c3ncnc1c23
O=S1(=O)N(CCCCCCN2CCN(CC2)c2ccccn2)c2cccc3cccc1c23
COc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
CCOc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
O=C1N(CCCCCCN2CCN(CC2)c2ncccn2)c2cccc3cccc1c23
[O-][N+](=O)c1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
CCOc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
[O-][N+](=O)c1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
CCOc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
O=C1N(CCCCCCN2CCN(CC2)c2ccccn2)C(=O)c2cccc3cccc1c23
[O-][N+](=O)c1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
O=C1N(CCCCCCN2CCN(CC2)c2ccccn2)c2cccc3cccc1c23
COc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
COc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
COc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
O=C1N(CCCCCCN2CCN(CC2)c2cccc3cccnc23)c2cccc3cccc1c23
COc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
COc1ccccc1N1CCN(CCCCCCn2c3cccc4CCCn(c34)c2=O)CC1
FC(F)(F)c1ccc(cc1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Clc1cccc(N2CCN(CCCCCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c1Cl
Fc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Clc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Clc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Clc1ccc(cc1Cl)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
FC(F)(F)c1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Fc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Clc1cccc(c1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Clc1ccc(cc1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Clc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Clc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
FC(F)(F)c1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Clc1ccc(cc1Cl)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Clc1cccc(N2CCN(CCCCCCN3C(=O)c4cccc5cccc3c45)CC2)c1Cl
Brc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
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,)|
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
FC(F)(F)c1cc(Oc2nccc3ccsc23)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,)|
CCn1cncc1-c1c[nH]c2ccc(I)c(F)c12
CCn1cncc1-c1c[nH]c2cc(F)c(Cl)cc12
Cn1cncc1-c1c[nH]c2ccc(I)cc12
CCn1cncc1-c1c[nH]c2ccc(F)cc12
CCn1cncc1-c1c[nH]c2ccc(cc12)C(N)=O
CCn1cncc1-c1c[nH]c2ccc(Cl)cc12
CCn1cncc1-c1c[nH]c2ccc(Br)cc12
CCOc1ccc2[nH]cc(-c3cncn3CC)c2c1
CCn1cncc1-c1c[nH]c2cc(F)ccc12
Cn1cncc1-c1c[nH]c2ccc(F)c(F)c12
CCn1cncc1-c1c[nH]c2ccc(F)c(F)c12
Cn1cncc1-c1c[nH]c2ccc(Br)c(F)c12
Cn1cncc1-c1c[nH]c2ccc(Br)cc12
COc1ccc2[nH]cc(-c3cncn3C)c2c1F
Cn1cncc1-c1c[nH]c2ccc(C(N)=O)c(F)c12
CCn1cncc1-c1c[nH]c2c(F)cc(I)cc12
CCn1cncc1-c1c[nH]c2ccc(C(N)=O)c(F)c12
CCn1cncc1-c1c[nH]c2ccc(C)cc12
CCn1cncc1-c1c[nH]c2ccc(Cl)c(F)c12
CCn1cncc1-c1c[nH]c2ccc(cc12)C(F)(F)F
CCn1cncc1-c1c[nH]c2ccccc12
CCn1cncc1-c1c[nH]c2ccc(OC(F)(F)F)cc12
CCn1cncc1-c1c[nH]c2cccc(F)c12
CCn1cncc1-c1c[nH]c2ccc(Br)c(F)c12
CCn1cncc1-c1c[nH]c2ccc(OC)c(F)c12
Cn1cncc1-c1c[nH]c2ccc(Cl)c(F)c12
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCCC(C1)c1c[nH]c2ccccc12
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O
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,)|
CCCN[C@H]1CCc2c(sc(n2)N)C1
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3nsc4ccccc34)c2c1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3nsc4ccccc34)c2c1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccsc1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1cn[nH]c1
Fc1ccc(C2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1cccs1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccoc1
c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N
Fc1cccc(c1)-c1cc(F)ccc1OCCN1CCC(CC1)c1c[nH]c2ccc(F)cc12
Fc1ccc(OCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c(c1)-c1ccccc1
COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
CN1CCc2ccc3C(=O)c4cccc5C[C@@H]1c2c3-c45
CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CO[C@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2ccc3[C@H](NC(C)=O)c4cccc5C[C@@H]1c2c3-c45
CN1CCc2ccc3[C@H](O)c4cccc5C[C@@H]1c2c3-c45
CN1CCc2ccc3[C@@H](O)c4cccc5C[C@@H]1c2c3-c45
CCO[C@@]1(CC)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
C[C@@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1
C[C@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2cccc-3c2[C@H]1Cc1cccc(C)c-31
CN1CCc2ccc3[C@@H](NC(C)=O)c4cccc5C[C@@H]1c2c3-c45
CN1CCc2cccc3-c4ccccc4C[C@@H]1c23
CN1CCc2ccc3Cc4cccc5C[C@@H]1c2c3-c45
CN1CCc2ccc3c4-c5c(cccc5C[C@@H]1c24)[C@@]3(C)O
CN1CCc2ccc3[C@H](N)c4cccc5C[C@@H]1c2c3-c45
CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
CCO[C@]1(CC)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2ccc3c4-c5c(cccc5C[C@@H]1c24)[C@]3(C)O
CN1CCC2(CC1)N=C(C)C(=O)N(C2=O)c1c(C)cccc1C |t:8|
CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1cncc2ccccc12 |t:9|
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2cccnc2c1 |t:9|
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1cccc2ncccc12 |t:9|
O=S(=O)(c1ccc2ncccc2c1)n1cc(C2=CCNCC2)c2ccccc12 |t:18|
Clc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2cccnc2c1 |t:8|
Clc1ccc(cc1)N1CCN(CCC(=O)N2CCN(CC2)c2ccccc2)CC1
O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1ccccn1
CCOc1ccccc1N1CCN(CCC(=O)N2CCN(CC2)c2ccccc2)CC1
O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1ncccn1
O=C(CCCCN1CCN(CC1)c1ccccc1)N1CCN(CC1)c1ccccc1
Clc1cccc(c1)N1CCN(CCC(=O)N2CCN(CC2)c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)CC1
CCOc1ccccc1N1CCN(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)CC1
Clc1ccccc1N1CCN(CC1)C(=O)CCN1CCN(Cc2ccccc2)CC1
COc1ccccc1N1CCN(CC1)C(=O)CCN1CCN(Cc2ccccc2)CC1
O=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1
Clc1cccc(c1)N1CCN(CC1)C(=O)CCN1CCN(Cc2ccccc2)CC1
O=C(CCN1CCN(CC1)c1ccccc1)N1CCN(CC1)c1ccccc1
Clc1cccc(c1)N1CCN(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)CC1
Clc1ccc(cc1)N1CCN(CC1)C(=O)CCN1CCN(Cc2ccccc2)CC1
O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1ccccc1
O=C(CCNCc1ccccc1)NCc1ccccc1
[H][C@@]12C[C@@]1([C@H](O)[C@H](O)[C@H]2C)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 |r|
COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
CN1CCc2ccc3[nH]c(=O)c4cccc5C[C@@H]1c2c3c45
CN1CCc2ccc3c4c2[C@H]1Cc1cccc([nH]c3=O)c41
CN1CCc2ccc3cnc4cccc5C[C@@H]1c2c3c45
CN1CCc2ccc3c4c2[C@H]1Cc1cccc(oc3=O)c41
CN1CCc2ccc3ncc4cccc5C[C@@H]1c2c3c45
CN1CCc2ccc3oc(=O)c4cccc5C[C@@H]1c2c3c45
CCCN(CCC)[C@@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r|
CN(C)[C@@H]1CCc2c(C1)cccc2-c1cccs1 |r|
CN(C)[C@@H]1CCc2c(C1)cccc2-c1ccco1 |r|
CN(C)C1CCc2c(C1)cccc2C1CCCC1
CN(C)C1CCc2c(C1)cccc2-c1cc(F)cc(F)c1
CN(C)C1CCc2c(C1)cccc2-c1cc(Cl)cc(Cl)c1
CN(C)[C@@H]1CCc2c(C1)cccc2-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Fc1ccccc1-c1cccc2CC(CCc12)N1CCCC1
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1
CCCN(CCC)[C@@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1ccco1 |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1cccn1C |r|
CN(C)C1CCc2c(C1)cccc2-c1c2ccccc2cc2ccccc12 |(29.61,-24.6,;28.28,-23.83,;28.28,-22.28,;26.94,-24.6,;26.94,-26.15,;25.6,-26.92,;24.26,-26.15,;24.26,-24.59,;25.6,-23.81,;22.92,-23.82,;21.59,-24.6,;21.59,-26.14,;22.93,-26.91,;22.93,-28.45,;24.26,-29.22,;25.58,-28.45,;26.9,-29.21,;26.91,-30.75,;25.59,-31.51,;24.26,-30.75,;22.93,-31.53,;21.59,-30.76,;20.27,-31.52,;18.94,-30.77,;18.93,-29.23,;20.26,-28.45,;21.59,-29.22,)|
CN(C)C1CCc2c(C1)cccc2-c1cccc2ccccc12
CN(C)[C@@H]1CCc2c(C1)cccc2-c1ccc(Cl)cc1 |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1ccc(Cl)cc1 |r|
CN(C)C1CCc2c(C1)cccc2-c1ccc(F)cc1Cl
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
CCCN(CCC)[C@@H]1CCc2c(C1)cccc2-c1ccccc1 |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1cccs1 |r|
CN(C)[C@@H]1CCc2c(C1)cccc2-c1cccn1C |r|
CN(C)C1CCc2c(C1)cccc2-c1cncc2ccccc12
CN(C)[C@H]1CCc2c(C1)cccc2-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CN(C)C1CCc2c(C1)cccc2-c1ccc(F)cc1
COc1cccc(c1)-c1cccc2CC(CCc12)N(C)C
CN(C)C1CCc2c(C1)cccc2-c1cccc(c1)C(F)(F)F
CN(C)C1CCc2c(C1)cccc2-c1cccc(Cl)c1
CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
CN(C)C1CCc2c(C1)cccc2-c1ccccc1Cl
CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1 |r|
CN(C)[C@@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
CN(C)C1CCc2c(C1)cccc2-c1cccc(F)c1
CN(C)[C@@H]1CCc2c(C1)cccc2-c1ccccc1 |r|
CCCN(CCC)[C@H]1CCc2cccc(O)c2C1
CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(O)cccc2O)c-31 |wD:10.11,(21.88,-10.26,;21.89,-8.74,;23.23,-7.99,;23.23,-6.44,;21.92,-5.67,;21.92,-4.11,;20.57,-3.33,;19.23,-4.1,;19.23,-5.65,;20.57,-6.44,;20.56,-7.98,;19.23,-8.74,;17.88,-7.98,;16.56,-8.74,;15.22,-7.98,;15.22,-6.44,;16.56,-5.67,;16.51,-3.95,;15.13,-3.3,;13.87,-4.17,;15,-1.76,;16.27,-.9,;17.66,-1.55,;17.79,-3.07,;19.31,-2.59,;17.88,-6.44,)|
O=C1Nc2cccc3CCC[C@@]1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
CN1CCc2cccc-3c2[C@H]1Cc1cccc(c-31)-c1c(OS(=O)(=O)C(F)(F)F)cccc1OS(=O)(=O)C(F)(F)F |wD:10.11,(14.3,-16.35,;14.3,-14.82,;15.64,-14.08,;15.64,-12.52,;14.33,-11.75,;14.33,-10.22,;12.99,-9.42,;11.65,-10.19,;11.65,-11.75,;12.99,-12.52,;12.99,-14.05,;11.65,-14.82,;10.31,-14.05,;9,-14.82,;7.66,-14.05,;7.66,-12.52,;9,-11.75,;10.31,-12.52,;8.93,-10.06,;7.56,-9.39,;6.32,-10.29,;4.91,-9.62,;5.9,-8.47,;3.67,-10.51,;4.79,-8.08,;6.06,-7.22,;3.41,-7.45,;4.79,-6.55,;7.44,-7.86,;8.71,-7,;10.08,-7.67,;10.21,-9.17,;11.74,-8.69,;11.93,-7.16,;10.69,-6.23,;13.34,-7.73,;13.34,-6.55,;13.53,-5.05,;14.77,-6.3,;11.97,-5.18,)|
CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1cc2CCN(C)C3Cc4ccc(N)cc4-c(c1OCC1CC1)c23
CCCC(=O)Nc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(-c2c1)c34
COc1cc2CCN(C)C3Cc4ccc(NC(C)=O)cc4-c(c1OCC1CC1)c23
CCCC(=O)Nc1ccc2CC3N(C)CCc4cc(OC)c(OCC5CC5)c(-c2c1)c34
CCCC(=O)Nc1ccc2CC3N(C)CCc4cc(OC)c(OCC=C)c(-c2c1)c34
CCCC(=O)Nc1ccc2CC3N(C)CCc4cc(OC)c(OCC#C)c(-c2c1)c34
COc1cc2CCN(C)C3Cc4ccc(NS(C)(=O)=O)cc4-c(c1OC)c23
COc1cc2CCN(C)C3Cc4ccc(NS(C)(=O)=O)cc4-c(c1OCC1CC1)c23
COc1cc2CCN(C)C3Cc4ccc(NS(C)(=O)=O)cc4-c(c1OCC=C)c23
COc1cc2CCN(C)C3Cc4ccc(NS(C)(=O)=O)cc4-c(c1OCC#C)c23
COc1cc2CCN(C)C3Cc4ccc(NC(N)=O)cc4-c(c1OC)c23
COc1cc2CCN(C)C3Cc4ccc(NC(N)=O)cc4-c(c1OCC1CC1)c23
COc1cc2CCN(C)C3Cc4ccc(NC(N)=O)cc4-c(c1OCC#C)c23
COc1cc2CCN(C)C3Cc4ccc(cc4-c(c1OC)c23)N(C)C
COc1cc2CCN(C)C3Cc4ccc(cc4-c(c1OCC1CC1)c23)N(C)C
COc1cc2CCN(C)C3Cc4ccc(cc4-c(c1OCC=C)c23)N(C)C
CCCN1CCc2cccc3-c4cc(N)ccc4CC1c23
CCCN1CCc2cccc3-c4cc(NC(=O)CCC)ccc4CC1c23
CN1CCc2cccc3-c4cc(NS(C)(=O)=O)ccc4CC1c23
CCCN1CCc2cccc3-c4cc(NS(C)(=O)=O)ccc4CC1c23
CN1CCc2cccc3-c4cc(NC(N)=O)ccc4CC1c23
CN(C)c1ccc2CC3N(C)CCc4cccc(-c2c1)c34
CCCN1CCc2cccc3-c4cc(ccc4CC1c23)N(C)C
CN1CCc2cccc-3c2C1Cc1ccc2nc(N)sc2c-31
CCCN1CCc2cccc-3c2C1Cc1ccc2nc(N)sc2c-31
CN1CCc2cccc3-c4cc5nc(N)sc5cc4CC1c23
CCCN1CCc2cccc3-c4cc5nc(N)sc5cc4CC1c23
[H][C@@]12Cc3cc(OCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)|
Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3nsc4ccccc34)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3ccccc3Cl)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3ccc(Cl)cc3)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3ccccc3OC)C(=O)[C@]21[H] |r|
O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
O=c1n(CCCCCCN2CCN(CC2)c2nsc3ccccc23)nc2ccccn12
O=c1oc2ccccc2n1CCCCCCN1CCN(CC1)c1nsc2ccccc12
C(CCCN1CCN(CC1)c1nsc2ccccc12)CCSc1nc2ccccc2o1
O=C1CCc2cc(OCCCCCCN3CCN(CC3)c3nsc4ccccc34)ccc2N1
O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)c2cccc3cccc1c23
O=S1(=O)N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)c2cccc3cccc1c23
O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2cccc3cccc1c23
O=c1n(CCCCCCN2CCN(CC2)c2nsc3ccccc23)c2cccc3CCCn1c23
FC(F)(F)c1cccc(c1)N(CCCCCCN1CCN(CC1)c1nsc2ccccc12)S(=O)(=O)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)N(CCCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
O=c1[nH]c2ccccc2n1CCCCCCN1CCN(CC1)c1nsc2ccccc12
O=C(NCCCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
O=S(=O)(NCCCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
O=S(=O)(NCCCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ccccc12
O=S(=O)(NCCCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccc2ccccc2c1
CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14|
CN(C)CCN1c2ccccc2C(=O)N(C)c2ccccc2C1=O
O=C1N(CCCN2CCOCC2)c2ccccc2\C=C/c2ccccc12 |c:20|
CN1CCN(CCCN2c3ccccc3\C=C/c3ccccc3C2=O)CC1 |c:16|
CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
CN(C)CCc1cccc2n(c(cc12)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
CN(C)[C@H]1Cc2cn(c3cccc([C@@H]1O)c23)S(=O)(=O)c1ccc(C)cc1
NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12
CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
CC(C)n1nc2CCNCCc2c1-c1ccc(F)cc1
CNc1ccc(cc1)-c1c2CCNCCc2nn1C(C)C
Fc1ccc(cc1)-c1c2CCNCCc2nn1C1CCC1
Fc1ccc(cc1)-c1c2CCNCCc2nn1C1CC1
CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)cc1Cl |(31.47,-50.99,;30.01,-50.52,;29.69,-49.01,;28.87,-51.55,;27.36,-51.23,;26.59,-52.57,;25.04,-52.68,;24.17,-53.95,;24.62,-55.43,;26.05,-56,;27.38,-55.23,;27.62,-53.71,;29.03,-53.08,;30.36,-53.85,;31.69,-53.08,;33.02,-53.84,;33.03,-55.39,;34.36,-56.16,;31.69,-56.16,;30.36,-55.39,;29.02,-56.16,)|
CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)c(Cl)c1
CC(C)n1nc2CCNCCc2c1-c1ccc(OC(F)(F)F)cc1
CC(C)n1nc2CCNCCc2c1-c1ccc(cc1)C(F)(F)F
CC(C)n1nc2CCNCCc2c1-c1ccc(cc1)C#N
CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)cc1
COc1ccc(cc1)-c1c2CCNCCc2nn1C(C)C
CC(C)n1nc2CCNCCc2c1-c1ccc(C)cc1
C1Cc2nn(c(c2CCN1)-c1ccccc1)-c1ccccc1
C1CC(C1)n1nc2CCNCCc2c1-c1ccccc1
C1CC1n1nc2CCNCCc2c1-c1ccccc1
CC(C)(C)n1nc2CCNCCc2c1-c1ccccc1
CC(C)n1nc2CCNCCc2c1-c1ccccc1
CCn1nc2CCNCCc2c1-c1ccccc1
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Fc1ccc2cc(sc2c1)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2s1 |r|
Cn1ccc2c(cccc12)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Fc1ccc(cc1Cl)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2o1 |r|
O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2ccccc2c1 |r|
Cc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Fc1ccc2cc(sc2c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2s1 |r|
Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Fc1ccc(cc1Cl)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Cn1ccc2cc(ccc12)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2ccccc2c1 |r|
Clc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1csc2ccccc12 |r|
Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Fc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Cc1c(sc2ccc(F)cc12)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Cc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Clc1ccc2cc(sc2c1)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Cn1ccc2cc(ccc12)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cccc2ccccc12 |r|
Clc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1csc2ccccc12 |r|
COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Fc1ccc(cc1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Cc1c(sc2ccc(F)cc12)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Cc1ccc2sc(cc2c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Clc1ccc2cc(sc2c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Cn1ccc2c(cccc12)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cccc2ccccc12 |r|
O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2o1 |r|
COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Cc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cn2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cn1
Cc1ccc(nc1)N1CCN(CCCCc2ccc(F)cc2)CC1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(cn2)-c2ccccc2)cc1
Fc1ccc(CCCCN2CCN(CC2)c2cccc(n2)-c2ccccc2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccccn1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cn1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccccn3)Cc2c1
Fc1ccc2CC(CCN3CCCN(CC3)c3ccccn3)Cc2c1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cn3)Cc2c1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Fc1ccc(CCCCN2C3CCC2CN(C3)c2ccc(Cl)cn2)cc1 |TLB:8:9:15.16.14:11.12,THB:17:15:9:11.12|
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(C2)c1ccc(Cl)cn1 |TLB:11:12:18.19.17:14.15,THB:20:18:12:14.15|
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccnc1
Fc1ccc(CCCCN2CCN(CC2)c2cccnc2)cc1
Fc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
Fc1ccc(cc1)C(=O)C1CCN(CCc2ccc(I)cc2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CCc2cccc(I)c2)CC1
OC(C1CCN(CCc2ccccc2I)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)C1CCN(CCc2ccccc2I)CC1
Fc1ccc(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
OC(C1CCN(CCc2ccc(F)cc2)CC1)c1ccc(F)cc1
Cn1ccc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2c1=O
CC(C)N1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Brc1ccc2ccn(CCN3CCCN(CC3)C3CCCCC3)c2c1
CN1CCCN(CCn2ccc3ccc(C)cc23)CC1
CN1CCCN(CCn2ccc3ccc(cc23)C#C)CC1
CCc1ccc2ccn(CCN3CCCN(C)CC3)c2c1
CN1CCCN(CCn2ccc3ccc(C=C)cc23)CC1
CC(C)c1ccc2ccn(CCN3CCCN(C)CC3)c2c1
CC(C)CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Clc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Brc1ccc2ccn(CCN3CCN4CCCCC4C3)c2c1
CN1CCCN(CCn2ccc3cc(Br)ccc23)CC1
CN1CCCN(CCn2ccc3ccc(OCc4ccccc4)cc23)CC1
CN1CCCN(CCn2ccc3ccc(F)cc23)CC1
COc1ccc2ccn(CCN3CCCN(C)CC3)c2c1
CN1CCCN(CCn2ccc3ccc(cc23)C(C)=C)CC1
FC(F)(F)c1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
CN1CCCN(CCn2ccc3ccc(cc23)[N+]([O-])=O)CC1
Brc1ccc2ccn(CCN3CCCN(CC3)C3CC3)c2c1
CN1CCCN(CCn2ccc3ccc(Cl)cc23)CC1
CC(C)(C)CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
CN1CCCN(CCn2ccc3ccc(cc23)-c2ccsc2)CC1
CN1CCCN(CCn2ccc3ccc(cc23)C(F)(F)F)CC1
Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Brc1ccc2n(CCN3CCN4CCCCC4C3)ccc2c1
Brc1ccc2ccn(CCN3CCCN(CC3)C3CCCC3)c2c1
Brc1ccc2ccn(CCN3CCCN(CC4CC4)CC3)c2c1
C[C@H](Nc1nc(N)nc(NC[C@H]2C[C@@H]2c2ccc(F)cc2)n1)c1ccccc1
CN(CC#C)Cc1ccc(OCCCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
CN1CCN=C1Cc1cccnc1 |c:4|
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)C1CCCCC1
COc1ccccc1N1CCN(CCCCC(=O)c2cccc(O)c2)CC1
COc1ccc2onc(N3CCN(CCCCCC(=O)c4ccccc4O)CC3)c2c1
COc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2)CC1
Oc1ccccc1C(=O)CCCN1CCN(CC1)c1noc2ccccc12
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1nc2ccccc2o1
COc1ccccc1N1CCN(CCCCCC(=O)c2ccc(O)cc2)CC1
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1ccccn1
COc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2O)CC1
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2O)CC1
COc1cccc(c1)C(=O)CCCN1CCN(CC1)c1ccccc1OC
Oc1ccccc1C(=O)CCCCN1CCN(CC1)c1noc2ccccc12
COc1ccccc1N1CCN(CCCCCC(=O)c2cccc(O)c2)CC1
CN1CCN(CCCCCC(=O)c2ccccc2O)CC1
COc1ccccc1N1CCN(CCCCC(=O)c2ccc(O)cc2)CC1
COc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2)CC1
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1nc2ccccc2[nH]1
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1ccccc1
COc1cccc(c1)C(=O)CCCCCN1CCN(CC1)c1ccccc1OC
COc1cccc(c1)C(=O)CCCCN1CCN(CC1)c1ccccc1OC
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Oc1nc2ccccc2n1C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Clc1ccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)cc1
O=C1Cc2ccccc2N1C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Clc1ccc(cc1)C(=O)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Cc1ccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)cc1
O=C1N(CCN2CCC(CC2)n2nnc3ccccc23)CCCc2ccccc12
COc1ccccc1C1CCN(CC2CCc3ccccc3C(=O)C2)CC1
Fc1ccc2n(ccc2c1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
O=C1N(CCN2CCC(CC2)n2ccc3ccccc23)CCCc2ccccc12
O=C1N(CCN2CCC(CC2)Oc2ccccc2)CCCc2ccccc12
O=C1N(CCN2CCC(CC2)c2c[nH]c3ccccc23)CCCc2ccccc12
Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)oc2c1
O=C1N(CCN2CCC(CC2)n2c3ccccc3oc2=O)CCCc2ccccc12
Fc1ccc(cc1)C(=O)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
O=C1CC(CN2CCC(CC2)Oc2ccccc2)CCc2ccccc12
Fc1ccc2n(nnc2c1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Cc1ccccc1OC1CCN(CCC2CCCc3ccccc3C2=O)CC1
Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Fc1ccc2N(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)C(=O)Cc2c1
O=C1C(CCN2CCC(CC2)Oc2ccccc2)CCCc2ccccc12
Fc1ccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)cc1
O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Clc1cccc(c1)S(=O)(=O)n1cnc2c(nccc12)N1CCNCC1
CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(F)c1)N1CCNCC1
CC(C)c1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
Clc1cccc(c1)S(=O)(=O)n1c(nc2c(nccc12)N1CCNCC1)-c1ccccc1
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2cnccn2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)c(F)c2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)cc2F)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2cc(Cl)c3oc(=O)cc(C)c3c2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc3OC(C)C(=O)Nc3c2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2cnccn2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(Cl)c(F)c2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(Cl)cc2F)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccccc2C#N)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(cc2)-c2cn3ccccc3n2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2Cl)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3OC(C)C(=O)Nc3c2)CC1
COc1ccc(cc1)-c1ccccc1C1CCN(C[C@@H](O)COc2cnccn2)CC1 |r|
COc1ccc(cc1)-c1ccccc1C1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
COc1ccc(cc1)-c1ccccc1C1CCN(CCCCOc2cnccn2)CC1
COc1ccc(cc1)-c1ccccc1C1CCN(CCCCOc2ccc(cc2)-c2cn3ccccc3n2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCC(C)(C)CCOc2cnccn2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CC(C)(C)CCCOc2cnccn2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CC#CCOc2ccc(Cl)c(F)c2)CC1
CN1CCCCC1CCN1c2ccc(Br)cc2Sc2cc(Br)ccc12
CN1CCCCC1CCN1c2c(Cl)cc(Cl)cc2Sc2cc(Cl)cc(Cl)c12
CN1CCCCC1CCN1c2ccc(Br)cc2[Se]c2cc(Br)ccc12
COc1ccccc1N1CCN(CCCC(=O)Nc2cc(ccc2O)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2cccc(c2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2cccc(c2)C(C)C)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(cc2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(cc2)C(C)C)CC1
CCC(C)c1ccc(NC(=O)CCCN2CCN(CC2)c2ccccc2OC)cc1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(cc2)C(=O)OC(C)(C)C)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccccc2O)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccccc2C(N)=O)CC1
COc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2O)CC1
COc1ccccc1CNC(=O)CCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCCC(=O)Nc2cc(ccc2O)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(c2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(c2)C(C)C)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2ccc(cc2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2ccc(cc2)C(C)C)CC1
CCC(C)c1ccc(NC(=O)CCCCN2CCN(CC2)c2ccccc2OC)cc1
COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(c2)C(=O)OC(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2ccccc2O)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2ccccc2C(N)=O)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2O)CC1
COc1ccccc1CNC(=O)CCCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccc(cc2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2cc(ccc2O)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2cccc(c2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2cccc(c2)C(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(cc2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(cc2)C(C)C)CC1
CCC(C)c1ccc(NC(=O)CCCCCN2CCN(CC2)c2ccccc2OC)cc1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(cc2)C(=O)OC(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccccc2O)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2O)CC1
COc1ccccc1CNC(=O)CCCCCN1CCN(CC1)c1ccccc1OC
COc1cccc2C(CCCc12)NC(=O)CCCN1CCN(CC1)c1ccccc1OC
O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1c[nH]c2ncccc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
CC(=O)Nc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
CC(=O)Nc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
Nc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
Nc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
O=C(CCCN1CCN(CC1)c1ccccn1)c1ccc2NC(=O)CCc2c1
O=C1CCc2cc(CCCCN3CCN(CC3)c3ccccn3)ccc2N1
O=C1CCc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc2N1
O=C1CCc2cc(OCCCN3CCCN(CC3)c3ccccn3)ccc2N1
O=C1CCc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12
O=C(CCCN1CCN(CC1)c1ccccn1)c1ccc2CCCc2c1
Fc1ccc2C(=O)C(CCN3CCN(CC3)c3ccccn3)Cc2c1
OC1C(CCN2CCN(CC2)c2ccccn2)Cc2cc(F)ccc12
Clc1ccc2C(=O)C(CCN3CCN(CC3)c3ccccn3)Cc2c1
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)Cc2c1
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Clc1cc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2cc1Cl
Clc1ccc2C(=O)C(CCCN3CCN(CC3)c3ccccn3)Cc2c1
Clc1ccc2C(=O)C(CCCCN3CCN(CC3)c3ccccn3)Cc2c1
CC1(CCCN2CCN(CC2)c2ccccn2)Cc2cc(Cl)ccc2C1=O
CC1(CCCCN2CCN(CC2)c2ccccn2)Cc2cc(Cl)ccc2C1=O
CCC(Oc1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CCCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(CCCOc2cccc(Cl)c2Cl)n1
CC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CCCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(CCCOc2cc(Cl)ccc2Cl)n1
CC(Oc1ccc(Cl)c(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
CCC(Oc1ccc(Cl)c(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(CCCOc2ccc(Cl)c(Cl)c2)n1
CC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
CCC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
CCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
CCCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(CCCOc2ccc(Cl)cc2Cl)n1
O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Clc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Clc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1Cl
O=C1N(CCCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12
COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Clc1cccc(N2CCN(CCCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1Cl
Clc1ccc(cc1)N1CCN(CCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
O=C1N(CCCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
O=C1N(CCCCCN2CCN(CC2)c2ccccn2)S(=O)(=O)c2ccccc12
O=C1N(CCCCCN2CCN(CC2)c2cccc3ccccc23)S(=O)(=O)c2ccccc12
COc1ccccc1N1CCN(Cc2ccc(CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1
COc1ccccc1N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
COc1ccc2c(c1)[nH]c1c(C)nccc21
COc1ccc2c3CCNCc3[nH]c2c1
COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
CC1=NCCc2c1[nH]c1ccccc21 |t:1|
Cc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
COc1ccccc1-c1n[nH]cc1N1CCCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
C1CNCCN(C1)c1c[nH]nc1-c1ccccc1
COc1ccccc1-c1n[nH]cc1N1CCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
C1CN(CCN1)c1c[nH]nc1-c1ccccc1
Clc1ccccc1-c1n[nH]cc1N1CCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Fc1ccccc1-c1n[nH]cc1N1CCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
CN(C)CCSc1nc(c(C)s1)-c1ccccc1
CN(C)CCSc1nnc([nH]1)-c1ccccc1
CN(C)CCSc1cccc(Br)n1
CN(C)CCSc1cccc(n1)C1CCCCC1
CN(C)CCSc1nc(cs1)C(C)(C)C
CN(C)CCSC(C)(C)C
CN(C)CCSc1ncc(s1)-c1ccccc1
CN(C)CCSc1nc2ccccc2s1
CN(C)CCSc1ccnc(c1)-c1ccccc1
CN(C)CCSc1nccs1
CN(C)CCSc1cccc(n1)C1(O)CCCCC1
CN(C)CCSc1nc(cs1)-c1ccncc1
CN(C)CCSc1nc(cs1)-c1ccccc1
CN(C)CCSc1nnc(o1)-c1ccccc1
Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
c1ccc2c(c1)c3c(ccn3S(=O)(=O)c4cccc(c4)Cl)c(n2)N5CCNCC5
Cc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
C[C@H](Nc1nc(C)nc(NCCOc2ccccc2)n1)c1ccccc1
CC(Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1
C[C@@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1
C[C@H](Nc1nc(N)nc(NCCc2ccccn2)n1)c1ccc(F)cc1
C[C@H](Nc1ncnc(NCCOc2ccccc2)n1)c1ccccc1
C[C@H](Nc1nc(NCCOc2ccccc2)nc(n1)N(C)C)c1ccccc1
CC(Nc1nc(N)nc(NCCCc2ccccc2)n1)c1ccccc1
C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1
C[C@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1
C[C@@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
C[C@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
CC(Nc1nc(N)nc(NCCc2cccnc2)n1)c1ccc(F)cc1
CC(Nc1nc(N)nc(NCCc2ccccc2)n1)c1ccc(F)cc1
CC(Nc1nc(N)nc(NCCc2ccncc2)n1)c1ccc(F)cc1
C[C@H](Nc1nc(F)nc(NCCOc2ccccc2)n1)c1ccccc1
C[C@H](Nc1ccnc(NCCc2ccccc2)n1)c1ccccc1
C[C@H](Nc1cc(NCCc2ccc(F)cc2)ncn1)c1ccccc1
C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ncn1)c1ccccc1
C[C@H](Nc1cc(NCCOc2ccccc2)ccn1)c1ccccc1
C[C@H](Nc1cncc(NCCc2ccc(F)cc2)c1)c1ccccc1
C[C@H](Nc1cncc(NCCc2ccccc2)c1)c1ccccc1
C[C@H](Nc1cccc(NCCOc2ccccc2)c1)c1ccccc1
C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)c1)c1ccccc1
C[C@H](Nc1cc(NCCc2ccc(F)cc2)ccn1)c1ccccc1
C[C@H](Nc1ccnc(NCCOc2ccccc2)n1)c1ccccc1
C[C@H](Nc1cccc(NCCOc2ccccc2)n1)c1ccccc1
C[C@H](Nc1cccc(NCCc2ccccc2)n1)c1ccccc1
C[C@H](Nc1ccnc(NCCc2ccccc2)c1)c1ccccc1
C[C@H](Nc1cc(NCCc2ccccc2)ccn1)c1ccccc1
C[C@H](Nc1ccnc(NCCc2ccc(F)cc2)c1)c1ccccc1
C[C@H](Nc1cncc(NCCOc2ccccc2)c1)c1ccccc1
CC(Nc1nccc(NCCc2ccccc2)n1)c1ccccc1
C[C@H](Nc1cncc(NCCOc2ccc(F)cc2)c1)c1ccccc1
CC(Nc1nccc(NCCOc2ccc(F)cc2)n1)c1ccccc1
C[C@H](Nc1ccnc(NCCOc2ccccc2)c1)c1ccccc1
CC(Nc1ccnc(NCCc2ccc(F)cc2)n1)c1ccccc1
C[C@H](Nc1cccc(NCCc2ccccc2)c1)c1ccccc1
C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)n1)c1ccccc1
C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ccn1)c1ccccc1
C[C@H](Nc1cc(NCCc2ccccc2)ncn1)c1ccccc1
COc1cccc(OC)c1-c1cccc2C[C@@H](N)CCc12 |wD:16.17,(3.02,2.09,;1.71,1.31,;.37,2.07,;.33,3.59,;-.98,4.36,;-2.33,3.56,;-2.29,2.02,;-3.63,1.24,;-3.61,-.29,;-.97,1.28,;-.97,-.26,;-2.28,-1.03,;-2.28,-2.57,;-.97,-3.34,;.37,-2.57,;1.69,-3.34,;3.02,-2.6,;4.51,-2.99,;3.02,-1.06,;1.69,-.26,;.37,-1.03,)|
CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1ccc(OC)cc1
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccc(OC)cc1
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1OC
Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4C=CCc4c3)CC2)cc1 |c:25|
COc1cccc(OC)c1-c1cccc2C[C@H](CCc12)N(C)C |wD:16.22,(2.58,2.38,;1.26,1.59,;-.09,2.35,;-.11,3.87,;-1.44,4.65,;-2.77,3.85,;-2.75,2.31,;-4.09,1.52,;-4.07,-.02,;-1.42,1.56,;-1.42,.02,;-2.73,-.76,;-2.73,-2.3,;-1.42,-3.07,;-.09,-2.3,;1.25,-3.07,;2.58,-2.32,;2.58,-.78,;1.25,.02,;-.09,-.76,;4.08,-2.72,;4.29,-4.24,;5.24,-1.69,)|
O=C1Nc2cccc3CCCC1(CCCCN1CCc4sccc4C1)c23
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1c(OC)cccc1OC |wD:7.6,(2.5,-6.14,;2.29,-4.62,;3.51,-3.66,;3.3,-2.15,;4.44,-1.12,;5.91,-1.61,;7.07,-.59,;1.8,-1.75,;1.8,-.22,;.47,.58,;-.86,-.17,;-.86,-1.73,;.47,-2.5,;-2.18,-2.5,;-3.49,-1.73,;-3.49,-.17,;-2.18,.58,;-2.18,2.12,;-3.51,2.87,;-4.85,2.09,;-4.83,.54,;-3.56,4.41,;-2.21,5.19,;-.88,4.43,;-.86,2.92,;.47,2.16,;1.8,2.95,)|
CCCN(CCC)[C@@H]1COc2c(C1)cccc2-c1ccccc1OC
CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1ccccc1OC
COc1cccc(OC)c1-c1cccc2C[C@H](COc12)N(C)C |wD:16.22,(-5.36,2.24,;-4,1.49,;-2.67,2.28,;-2.7,3.82,;-1.37,4.59,;,3.84,;,2.29,;1.31,1.53,;2.64,2.29,;-1.34,1.53,;-1.34,-.01,;-2.67,-.78,;-2.67,-2.32,;-1.34,-3.09,;,-2.34,;1.31,-3.13,;2.67,-2.34,;2.67,-.78,;1.31,-.01,;,-.78,;4,-3.13,;4,-4.66,;5.35,-2.34,)|
CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1c(OC)cccc1OC |wD:7.6,(1.92,-6.31,;1.94,-4.77,;3.27,-4,;3.27,-2.46,;4.6,-1.69,;5.93,-2.46,;7.28,-1.69,;1.94,-1.68,;1.94,-.12,;.58,.65,;-.75,-.12,;-.75,-1.68,;.58,-2.46,;-2.08,-2.43,;-3.41,-1.66,;-3.41,-.12,;-2.08,.65,;-2.09,2.19,;-.76,2.96,;.58,2.19,;1.91,2.96,;-.76,4.5,;-2.1,5.27,;-3.45,4.47,;-3.42,2.94,;-4.75,2.16,;-6.09,2.92,)|
CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1ccccc1
CNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CN(C)C)ccc1Cl
CCN(CC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
CCCN(CCC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
CNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
CCN(CC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCN(CCC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(ccc1Cl)C1CCNC1
COc1ccccc1-c1cc(ccc1Cl)C1CCN(C)C1
Fc1ccc2c(CCCN3CCC(CS(=O)(=O)c4ccc5ccccc5c4)C3)noc2c1
Cc1ccc(cc1C)S(=O)(=O)CC1CCN(CCCc2noc3cc(F)ccc23)C1
Fc1ccc2c(CCCN3CCC(CS(=O)(=O)c4ccc(F)c(F)c4)C3)noc2c1
Fc1ccc2c(CCCN3CCC(CS(=O)(=O)c4ccc(Cl)c(Cl)c4)C3)noc2c1
Fc1ccc2c(CCCN3CCC(CS(=O)(=O)c4ccc(F)c(Cl)c4)C3)noc2c1
Fc1ccc2c(CCCN3CCC(CS(=O)(=O)c4ccc(cc4)C(F)(F)F)C3)noc2c1
Fc1ccc2c(CCCN3CCC(CS(=O)(=O)c4cccc(c4)C(F)(F)F)C3)noc2c1
Fc1ccc(cc1)S(=O)(=O)CC1CCN(CCCc2noc3cc(F)ccc23)C1
Fc1cccc(c1)S(=O)(=O)CC1CCN(CCCc2noc3cc(F)ccc23)C1
Fc1ccc2c(CCCN3CCC(CS(=O)(=O)c4cccc(Cl)c4)C3)noc2c1
Cc1cccc(c1)S(=O)(=O)CC1CCN(CCCc2noc3cc(F)ccc23)C1
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1cccc(Cl)c1 |r|
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1ccc(F)c(Cl)c1 |r|
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1csc2ccccc12 |r|
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1cc2ccccc2s1 |r|
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1cc2ccccc2o1 |r|
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1cc2ccc(F)cc2s1 |r|
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1cc2ccc(Cl)cc2s1 |r|
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1sc2ccc(Cl)cc2c1C |r|
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1ccc2ccccc2c1 |r|
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r|
COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCc2cc(OC)ccc2C1
CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccc(C)cc1
CN1CCc2cccc-3c2C1Cc1cccc(C2C(C=CC=C2C)C#N)c-31 |c:21,23|
COc1ccc2n(C)cc(CCN(C)C)c2c1
COc1ccc2CN(CCCNS(=O)(=O)c3ccccc3)CCc2c1
CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccccc1
COc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 |t:9|
CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccc(OC)cc1
CCN(CCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
CC1C=CC=C(C#N)C1c1cccc2CC3N(C)CCc4cccc(c34)-c12 |c:2,t:4|
CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1cccc2ccccc12
COc1ccc2CN(CCCNS(=O)(=O)c3ccc(C)cc3)CCc2c1
COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc(C)cc2)CC1
COc1ccc2CN(CCCNS(=O)(=O)c3cccc4ccccc34)CCc2c1
COc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)N1C(=O)CCC1=O |wU:14.15,wD:17.22,(-5.85,3.68,;-5.08,2.33,;-5.87,.97,;-7.41,.97,;-8.18,-.36,;-7.41,-1.69,;-5.87,-1.69,;-5.1,-.36,;-3.56,-.36,;-2.79,.97,;-1.23,.97,;-.46,-.36,;-1.23,-1.69,;-2.79,-1.69,;1.08,-.36,;1.87,.97,;3.39,.97,;4.18,-.36,;3.39,-1.69,;1.87,-1.69,;5.72,-.36,;6.05,1.16,;5.04,2.33,;7.57,1.32,;8.21,-.08,;7.05,-1.12,;7.19,-2.67,)|
COc1ccccc1N1CCN(C\C=C/CN2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(Cc2ccccc2CN2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(C\C=C\CN2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)N1C(=O)c2ccccc2C1=O |wU:14.15,wD:17.22,(-7.13,3.8,;-6.38,2.44,;-7.18,1.11,;-8.72,1.11,;-9.49,-.22,;-8.73,-1.57,;-7.18,-1.57,;-6.41,-.24,;-4.87,-.22,;-4.08,-1.57,;-2.54,-1.57,;-1.77,-.24,;-2.54,1.11,;-4.08,1.11,;-.23,-.24,;.54,1.11,;2.08,1.09,;2.85,-.24,;2.06,-1.57,;.54,-1.57,;4.39,-.22,;5.32,-1.43,;4.86,-2.9,;6.77,-.94,;8.1,-1.66,;9.43,-.89,;9.41,.65,;8.06,1.39,;6.74,.6,;5.27,1.07,;4.77,2.54,)|
COc1ccccc1N1CCN(Cc2ccccc2CN2C(=O)CCC2=O)CC1
COc1ccccc1N1CCN(C\C=C/CN2C(=O)CCC2=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1
COc1ccccc1N1CCN(C\C=C\CN2C(=O)CCC2=O)CC1
[H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC
[H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
O=C(CCCCCN1CCN(CC1)c1nc2ccccc2o1)NC1CCCc2ccccc12
COc1ccc2C(CCCc2c1)NC(=O)CCCN1CCN(CC1)c1ccccc1OC
O=C(CCCCCN1CCN(CC1)c1nc2ccccc2[nH]1)NC1CCCc2ccccc12
COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc23)CC1
COc1cc(Cl)ccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3ccccc23)CC1
COc1cccc(c1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
O=C(CCCCCN1CCN(CC1)c1noc2ccccc12)NC1CCCc2ccccc12
CC(=O)c1cccc(c1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
COc1ccc(cc1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3cccc(OC)c23)CC1
COc1cccc2C(CCCc12)NC(=O)CCCCN1CCN(CC1)c1ccccc1OC
COc1ccc2oc(nc2c1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
COc1cccc2C(CCCc12)NC(=O)CN1CCN(CC1)c1ccccc1OC
COc1cccc2C(CCCc12)NC(=O)CCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3cccc(OC)c23)CC1
COc1cccc2C(CCCc12)NC(=O)CCCCCN1CCN(CC1)c1ccccc1OC
CC(=O)c1ccc(cc1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
O=C(CCCCCN1CCN(CC1)c1ccc(cc1)C#N)NC1CCCc2ccccc12
COc1ccc2CCCC(NC(=O)CCCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1ccc2CCCC(NC(=O)CCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1ccc2CCCC(NC(=O)CCCCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1ccc2C(CCCc2c1)NC(=O)CCCCCN1CCN(CC1)c1ccccc1OC
O=C(CCCCCN1CCN(CC1)c1cccc(c1)C#N)NC1CCCc2ccccc12
COc1ccc2C(CCCc2c1)NC(=O)CCCCN1CCN(CC1)c1ccccc1OC
COc1ccc(OC)c(c1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3cccc(OC)c23)CC1
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc(N)cc1 |t:9|
Nc1ccc(cc1)S(=O)(=O)n1cc(C2CCNCC2)c2ccc(Cl)cc12
Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
CN(C)[C@@H]1COc2ccc(cc2C1)-c1ccccc1
CN(C)[C@@H]1COc2ccc(cc2C1)-c1c(O)cccc1O
COc1c(ccc2ccccc12)-c1ccc2OC[C@H](Cc2c1)N(C)C
COc1cccc(OC)c1-c1ccc2OC[C@H](Cc2c1)N(C)C
CN(C)[C@@H]1COc2ccc(cc2C1)-c1c(C)cccc1C
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CC1CCN(CCC[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 |r|
CC1CCN(CCC[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 |r|
COc1ccccc1N1CCN(CCC[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 |r|
COc1ccccc1N1CCN(CCC[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 |r|
Fc1ccccc1S(=O)(=O)N1CCC[C@@H]1CCCN1CCN(CC1)c1ccc(Cl)cc1 |r|
Fc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1CCCN1CCN(CC1)c1ccc(Cl)cc1 |r|
Fc1ccccc1S(=O)(=O)N1CCC[C@@H]1CCCN1CCN(CC1)c1ccccn1 |r|
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(OCC[18F])c2)CC1 |r|
Cc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1
COc1cccc(c1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1
CC1(CCCCN2CCN(CC2)c2cccc(OCCF)c2)C(=O)Nc2ccccc12
CCC1(CCCCN2CCN(CC2)c2cccc(OCCF)c2)C(=O)Nc2ccccc12
CN1C(=O)C2(CCCCN3CCc4sccc4C3)CCCc3cccc1c23
CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F
CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 |r|
CN(C)CCc1c(C)[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)nc12
CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
COc1ccc(cc1)-c1c(ccn1C)[N+]([O-])=O
CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1ccccc1Cc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
CN1CCN2C(C1)c1ccccc1Cc1cccnc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
[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]
Nc1nc(N)nc(NCCCCN2CCN(CC2)c2ccccc2)n1
COc1ccccc1N1CCN(CCCCNc2nc(N)nc(N)n2)CC1
Nc1nc(N)nc(NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)n1
Nc1nc(N)nc(NCCCCCN2CCN(CC2)c2ccccc2)n1
COc1ccccc1N1CCN(CCCCCNc2nc(N)nc(N)n2)CC1
Nc1nc(N)nc(NCCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)n1
Nc1nc(N)nc(NCCCCCCN2CCN(CC2)c2ccccc2)n1
COc1ccccc1N1CCN(CCCCCCNc2nc(N)nc(N)n2)CC1
Nc1nc(N)nc(NCCCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)n1
Nc1nc(NCCN2CCN(CC2)c2ccccc2)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCCCN2CCN(CC2)c2ccccc2)nc(NCCc2c[nH]c3ccccc23)n1
COc1ccccc1N1CCN(CCCCNc2nc(N)nc(NCCc3c[nH]c4ccccc34)n2)CC1
Nc1nc(NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCc2c[nH]c3ccccc23)nc(n1)N1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CC1)c1nc(N)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCc2c[nH]c3ccccc23)nc(n1)N1CCN(CC1)c1cccc(Cl)c1Cl
Nc1nc(NCCNc2ccccc2)nc(NCCc2c[nH]c3ccccc23)n1
COc1ccccc1NCCNc1nc(N)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCNc2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1
COc1ccccc1OCCNc1nc(N)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCOc2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1
COc1ccccc1CCNc1nc(N)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCc2c[nH]c3ccccc23)nc(NCCc2cccc(Cl)c2Cl)n1
COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C#N)CC1
COC(=O)c1cccc(C)c1-n1ccc(CN2CCN(CC2)c2ccccc2OC)c1
COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C(F)(F)F)CC1
Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1 |t:13|
COc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1 |t:10|
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cncc4ccccc34)c(=O)c21
Clc1cccc(N2CCN(CCCN3CCN(CC3)c3ncccc3C#N)CC2)c1Cl
COc1ccccc1N1CCN(CCCN2CCN(CC2)c2ncccc2C#N)CC1
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccc(O)cc4)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ncccn4)C3)c2cc1OC
COc1cc2ncnc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(Cc4ccc5ccccc5n4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(Cc4cnc5ccccc5n4)CC3)c2cc1OC
C(N1CCN(CC1)c1cccc2cn[nH]c12)C1=NC2C=CC=CC2N1 |c:22,24,t:19|
C(N1CCN(CC1)c1cccc2cn[nH]c12)C1=NC2C=CC=CC2C=C1 |c:22,24,28,t:19|
C(N1CCN(CC1)c1cccc2cn[nH]c12)C1=NC2C=CC=CC2N=C1 |c:22,24,28,t:19|
C1CN(CCN1c1cccc2cn[nH]c12)c1cccc2cncnc12
O=c1[nH]c2cccc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)c2[nH]1
O=c1[nH]c2cccc(N3CCN(Cc4cnc5ccccc5n4)CC3)c2[nH]1
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccc4)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccc4O)C3)c2cc1OC
COc1ccccc1N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
COc1cccc(c1)N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4cccc(Cl)c4)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4cccc(c4)C(F)(F)F)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccc(Cl)cc4)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4cccc(Cl)c4Cl)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccc(Cl)c(Cl)c4)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccn4)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCc5ccccc5C4)C3)c2cc1OC
O=c1[nH]c2cccc(N3CCN(Cc4ccc5ccccc5n4)CC3)c2[nH]1
CSc1ccc2Sc3ccccc3C(Cc2c1)N1CCN(C)CC1
C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
C[C@H](N)Cn1ncc2ccc(O)cc12
C[C@@H](N)Cn1ncc2ccc(O)cc12
FC(F)(F)c1cccc(c1)N1CCN(CCCCCCn2nc3ccccn3c2=O)CC1
Clc1cccc(N2CCN(CCCCCCn3nc4ccccn4c3=O)CC2)c1Cl
O=c1n(CCCCCCN2CCN(CC2)c2cccc3ccccc23)nc2ccccn12
O=c1n(CCCCCCN2CCN(CC2)c2cccc3cccnc23)nc2ccccn12
O=c1n(CCCCCCN2CCN(CC2)c2cccc3OCCOc23)nc2ccccn12
Clc1cccc(c1)N1CCN(CC1)C(=O)NCCCCCCn1nc2ccccn2c1=O
Clc1cccc(c1)N1CCN(CC2CCC(Cn3nc4ccccn4c3=O)CC2)CC1 |(9.43,-.13,;8.67,-1.46,;9.43,-2.8,;8.67,-4.08,;7.12,-4.08,;6.36,-2.8,;7.12,-1.46,;4.82,-2.8,;4.05,-1.46,;2.51,-1.46,;1.75,-2.8,;.21,-2.8,;-.56,-1.46,;.21,-.13,;-.56,1.2,;-2.1,1.2,;-2.87,2.53,;-4.41,2.53,;-5.33,3.82,;-6.76,3.3,;-8.1,4.08,;-9.43,3.3,;-9.43,1.77,;-8.1,.99,;-6.76,1.77,;-5.33,1.3,;-4.82,-.13,;-2.87,-.13,;-2.1,-1.46,;2.51,-4.08,;4.05,-4.08,)|
Clc1cccc(c1)N1CCN(Cc2ccc(Cn3nc4ccccn4c3=O)cc2)CC1
Clc1ccc(cc1)N1CCN(Cc2ccc(Cn3nc4ccccn4c3=O)cc2)CC1
Clc1cccc(c1)N1CCN(CCCCCCn2c3cccc4CCCn(c34)c2=O)CC1
Clc1cccc(c1)N1CCN(CCCCCCn2c3cccc4CCCn(c34)c2=S)CC1
Clc1cccc(c1)N1CCN(CCCCCCN2c3cccc4CCCN(c34)S2(=O)=O)CC1
NC(=O)NCCCCCCN1CCN(CC1)c1cccc(Cl)c1
NS(=O)(=O)NCCCCCCN1CCN(CC1)c1cccc(Cl)c1
NC(=O)N1CCN(CC1)c1cccc(Cl)c1
Clc1cccc(c1)N1CCN(CCCCCCn2nc3ccccn3c2=O)CC1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
CC1CCN(CCC2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
CCOCC(Oc1c(C)cccc1Cl)N1CCN(CC1)c1ccccc1OC
CCOCC(Oc1c(C)cccc1C)N1CCN(CC1)c1ccccc1OC
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1
CN1CCN(CC1)c1nc(N)nc(Cc2c[nH]c3ccccc23)n1
CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)Sc1ccc2ccccc2c1
COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
O=C1CC2CCc3ccsc3C2=NN1CCCCN1CCN(Cc2ccccc2)CC1 |c:13|
O=C1CC2CCc3ccsc3C2=NN1Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 |c:13|
O=C1CC2Cc3ccsc3C2=NN1CCCCN1CCN(Cc2ccccc2)CC1 |c:12|
O=C1CC2CCCc3ccsc3C2=NN1CCCCN1CCN(Cc2ccccc2)CC1 |c:14|
O=C1CC2CCc3ccsc3C2=NN1CCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:13|
O=C1CC2CCc3ccsc3C2=NN1CCCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:13|
O=C1CC2Cc3ccsc3C2=NN1CCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:12|
O=C1CC2Cc3ccsc3C2=NN1CCCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:12|
O=C1CC2Cc3ccsc3C2=NN1CCCCCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:12|
C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1
CCC([Se]c1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CCCC([Se]c1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CCCCC([Se]c1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)[Se]c1ccccc1
CN1CCN(CC1)c1nc(N)nc(CCC[Se]c2ccccc2)n1
CC([Se]c1cc(C)ccc1C)c1nc(N)nc(n1)N1CCN(C)CC1
CCC([Se]c1cc(C)ccc1C)c1nc(N)nc(n1)N1CCN(C)CC1
CCCC([Se]c1cc(C)ccc1C)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)[Se]c1cc(C)ccc1C
CCCC([Se]c1cc(Cl)ccc1F)c1nc(N)nc(n1)N1CCN(C)CC1
CC([Se]c1cccc2ccccc12)c1nc(N)nc(n1)N1CCN(C)CC1
CCC([Se]c1cccc2ccccc12)c1nc(N)nc(n1)N1CCN(C)CC1
CC([Se]c1ccc2ccccc2c1)c1nc(N)nc(n1)N1CCN(C)CC1
CCC([Se]c1ccc2ccccc2c1)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)[Se]c1ccc2ccccc2c1
CN1CCN(CC1)c1nc(N)nc(C[Se]Cc2ccccc2)n1
CC([Se]Cc1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CCC([Se]Cc1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(CCC[Se]Cc2ccccc2)n1
CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1 |w:7.6|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCC(OC(C)=O)c2c1 |w:23.25|
CCCCSC1CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |w:5.4|
COc1cc2CC3N(C)CCc4cc(OC)c(O)c(-c2cc1O)c34 |w:6.5|
C(C1NCCc2c1[nH]c1ccccc21)c1ccc2OCOc2c1
COc1cccc(c1)C1=NCCc2c1[nH]c1ccccc21 |t:9|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(O)c2c1 |w:24.26|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(OC(C)=O)c2c1 |w:22.24|
C1Cc2c([nH]c3ccccc23)C(N1)c1ccccc1
COc1ccc2[nH]c3C(Cc4ccc5OCOc5c4)NCCc3c2c1 |w:8.8|
CCCCSC1=CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |t:5|
CN(Cc1ccccc1)\C=N\c1ccc2CCC(OC(C)=O)c2c1 |w:17.18|
CC(=O)OC1CCCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
CC(=O)OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1 |w:8.7|
Oc1c(F)cccc1CC1NCCc2c1[nH]c1ccccc21 |w:9.9|
COc1ccc2CC3c4cc5OCOc5cc4CC[N+]3(C)Cc2c1OC
OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:1.0|
Oc1cccc(c1)C1NCCc2c1[nH]c1ccccc21 |w:7.7|
CSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 |w:9.9|
COc1ccc2[nH]c3c(CCN=C3c3cc(cn3C)[N+]([O-])=O)c2c1 |c:11|
CCCOC1CCCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |w:4.3|
CN(Cc1ccccc1)\C=N\c1ccc2CCC(O)c2c1 |w:17.18|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(O)c2c1 |w:22.24|
CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 |w:11.11|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(OC(C)=O)c2c1 |w:24.26|
COc1cccc(c1)C1NCCc2c1[nH]c1ccccc21 |w:8.8|
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1 |w:22.23,27.28|
COC(=O)N1CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CC3SCCSC3c2c1 |w:21.22,26.27|
COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCN(C(=O)OC(C)(C)C)c2c1
COc1cccc(c1)C1=NCCc2c1[nH]c1ccc(OC)cc21 |t:9|
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CN(C)CCc1cccc(c1)-c1c(C)cccc1C
Cc1ccccc1-c1cccc(CCN)c1
COc1ccccc1-c1cccc(CCN(C)C)c1
CN(C)CCc1cccc(c1)-c1ccccc1C
COc1ccccc1N1CCN(CCc2cccc(OCCCCCCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
COc1ccccc1N1CCN(CCc2cccc(OCCCCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
COc1ccccc1N1CCN(CCc2cccc(OCCOCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
COc1ccccc1N1CCN(CCc2cccc(OCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
COc1ccccc1N1CCN(CCc2cccc(OC(=O)COCC(=O)Oc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
COc1ccccc1N1CCN(CCc2cccc(OCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
COc1ccccc1N1CCN(CCc2cccc(OCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
COc1ccccc1N1CCN(CCc2cccc(OCCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
COc1ccccc1N1CCN(CCc2cccc(OCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
COc1ccccc1N1CCN(CCc2cccc(OCCCCCCCCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
CC(C)(C)Cc1c(sc(N)c1C(=O)c1ccc(Cl)cc1)C#Cc1ccccc1F
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
COc1cc([Se]C(F)(F)F)c(OC)cc1CCN
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(O)cc1 |w:1.0|
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(O)c1 |w:1.0|
CCCc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1
CCCc1ccc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1
CC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1
CC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3Cl)CC2)cc1
CC(=O)c1ccc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1
CC(=O)c1ccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
CCC(=O)N1c2ccccc2CC1C(=O)NCCCN1CCN(c2ccccc2)CC1
CCC(=O)N1c2ccccc2CC1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
OC(COc1ccc2c(c1)CCC2)CN1CCN(c2ccccc2)CC1
OC(COc1ccc2c(c1)CCC2)CN1CCN(c2cccc(Cl)c2)CC1
OC(COc1ccc2c(c1)CCC2)CN1CCN(c2ccc(Cl)cc2)CC1
COc1ccc(OC)c(COCC(O)CN2CCN(c3ccccc3)CC2)c1
COc1ccc(OC)c(COCC(O)CN2CCN(c3cccc(Cl)c3)CC2)c1
COc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1OC
COc1ccc(-c2nc(CN3CCN(c4ccccc4Cl)CC3)cs2)cc1OC
COc1ccc(-c2nc(CN3CCN(c4cccc(Cl)c4)CC3)cs2)cc1OC
NC(=O)c1ccc2[nH]cc(CCCN3CCC(c4ccc(F)cc4-c4ccccc4)CC3)c2c1
CSc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
COc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
CCOc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
CCOc1ccccc1N1CCN(CCCCCn2cnc3sc(C)c(C)c3c2=O)CC1
O=S(=O)(c1ccccc1)n1cccc1-c1cccc(N2CCNCC2)c1
O=S(=O)(c1cccc(NC2CCNCC2)c1)n1cccc1-c1ccccc1
O=S(=O)(c1cccc(N2CCNCC2)c1)n1cccc1-c1ccccc1
O=S(=O)(c1cccc(N2CCNCC2)c1)n1cccc1-c1cccc(F)c1
COc1cccc(-c2cccn2S(=O)(=O)c2cccc(N3CCNCC3)c2)c1
O=C(NC1CCNCC1)c1ccn(S(=O)(=O)c2cccc(Cl)c2)c1-c1cccc(F)c1
CN1CCN(c2nc(N)nc(C(C)(C)Oc3ccccc3Cl)n2)CC1
CN1CCN(c2nc(N)nc(C(C)(C)Sc3ccccc3Cl)n2)CC1
CC(Sc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Sc1ccc(Cl)c(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Sc1cc(Cl)cc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Sc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Sc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Sc1ccc(Cl)c(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Sc1cc(Cl)cc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Sc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
CCCC(Sc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
CCCC(Sc1cc(Cl)cc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1
CCCCC(Sc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1ccccc1)c1nc(N)nc(N2CCNCC2)n1
CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCNCC2)n1
CCC(Sc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCNCC2)n1
CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCNCC2)n1
CCC(Sc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCNCC2)n1
CC(Oc1cc(F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cc(Cl)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(Cl)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cc(F)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cc(C(F)(F)F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(C(F)(F)F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cc(F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cc(C(F)(F)F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(C(F)(F)F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1
COc1ccc(F)cc1OC(C)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(F)ccc1OC)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cccc(F)c1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cccc(F)c1F)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cccc(Cl)c1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cccc(Cl)c1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cccc(F)c1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccncc2)nc(N2CCN(C)CC2)n1
CCCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1
CCCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccncc2)nc(N2CCN(C)CC2)n1
CCC(Oc1cccc(Cl)c1Cl)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(Cl)ccc1Cl)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
O[C@@H]1[C@@H](O)[C@H](Oc2cc3O[C@@H](CC(=O)c3c(O)c2O)c2ccccc2)O[C@@H]([C@H]1O)C(O)=O |r|
O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2
CCCCCCC\C=C/[C@H](O)C#CC#CC(=O)CCOC |r|
CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
CC(=O)OCCCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
CCC\C=C1/OC(=O)c2ccccc12
NC(N)=NCCC[C@@H]1NC(=O)C(NC1=O)=Cc1c[nH]c2cc(Br)ccc12 |r,w:15.16,wU:7.6,(9.1,2.09,;7.77,2.87,;7.78,4.41,;6.44,2.1,;5.11,2.88,;3.77,2.11,;2.44,2.89,;1.1,2.13,;-.23,2.9,;-1.57,2.14,;-2.91,2.91,;-1.56,.6,;-.24,-.18,;1.09,.59,;2.42,-.19,;-2.89,-.17,;-2.9,-1.71,;-1.65,-2.61,;-2.13,-4.08,;-3.67,-4.08,;-4.71,-5.23,;-6.22,-4.9,;-7.26,-6.03,;-6.68,-3.42,;-5.65,-2.29,;-4.14,-2.61,)|
NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC1=O |r,wU:7.6,11.11,(32.28,3.26,;30.95,4.04,;30.96,5.58,;29.62,3.28,;28.29,4.05,;26.95,3.29,;25.62,4.07,;24.28,3.3,;22.95,4.08,;21.61,3.31,;20.27,4.08,;21.62,1.78,;20.28,1.01,;20.28,-.53,;21.53,-1.44,;21.05,-2.91,;19.51,-2.9,;18.47,-4.05,;16.96,-3.72,;15.92,-4.86,;16.5,-2.25,;17.53,-1.11,;19.03,-1.44,;22.94,1,;24.27,1.76,;25.6,.98,)|
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
COc1ccc(cc1)S(=O)(=O)NC(C)CCN1CCN(CC1)c1ccccc1
COc1ccc(cc1)S(=O)(=O)NC(C)CCN1CCN(CC1)c1ccc(F)cc1
COc1ccc(cc1)S(=O)(=O)NC(C)CCN1CCN(CC1)c1ccccc1OC
COc1ccc(cc1)S(=O)(=O)NC(C)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
O=S(=O)(NCCCN1CCN(CC1)c1ccccc1)c1ccc2ccccc2c1
O=S(=O)(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Clc1ccc(cc1Cl)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Fc1ccc(cc1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Fc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
COc1ccc(cc1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
COc1cccc(c1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
FC(F)(F)c1ccc(cc1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)C(=O)c1ccco1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)C(=O)OCc1ccccc1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(cc1)C(C)=O
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1
O=S(=O)(NCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(F)cc1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1F
COc1ccc(cc1)N1CCN(CCCNS(=O)(=O)c2ccc(OC)cc2)CC1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(OC)c1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(cc1)C(F)(F)F
CN1CCN(C[C@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1 |r|
Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[nH]c2ccccc12
Cc1ccc2c(c[nH]c2c1)C(=O)Nc1ccc(Oc2cccnc2C)nc1
COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Cc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccncc1
CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccccc1
CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
CS(=O)(=O)Oc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCc2ccccc2C1
CSc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C1
CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
O=C1N(CCCCN2CCN(CC2)c2ccccc2)Cc2ccccc12
COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1
O=C1N(CCCCCN2CCN(CC2)c2ccccc2)Cc2ccccc12
O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc23)CC1
O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1cccc2ccccc12
O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCN2C(=O)Cc3ccccc23)CC1
O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2ccccc12
O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2[nH]cnc12
O=C1Cc2ccccc2N1C\C=C/CN1CCN(CC1)c1cccc2ccccc12
O=C1Cc2ccccc2N1C\C=C\CN1CCN(CC1)c1cccc2ccccc12
O=C1Cc2ccccc2N1CC#CCN1CCN(CC1)c1cccc2ccccc12
O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(CC2)c2cccc3ccccc23)c1
O=C1Cc2ccccc2N1Cc1ccc(CN2CCN(CC2)c2cccc3ccccc23)cc1
O=C1Cc2ccccc2N1CCCCN1CCC(CC1)c1ccccc1
O=C1Cc2ccccc2N1CCCCN1CCCC(C1)c1ccccc1
O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1
O=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1
O=C1Cc2ccccc2N1CCN1CCc2ccccc2C1
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(cc2)[N+]([O-])=O)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)[C@@H]2CCCN12
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21|
CCN(CC)C(=O)[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:21|
NCCn1cc(c2cccnc12)S(=O)(=O)c1ccccc1
CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc2ccccc12
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2ccccc12
FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1OC)CC1CCCCC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CCCCC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccc(F)cc1)CC1CCCCC1
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1ccc2ccccc2c1
COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2cccnc12
COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Clc1ccc(cc1Cl)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1cccc2ccccc12
FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1OC)CC1CC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccc(F)cc1)CC1CC1
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1ccc2ccccc2c1
COc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1cccc2cccnc12
COc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
CC(CCN1CCN(CC1)c1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1
COc1ccccc1N1CCN(CCC(C)NS(=O)(=O)c2ccc3ccccc3c2)CC1
CC(CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)NS(=O)(=O)c1ccc2ccccc2c1
CC(CCN1CCN(CC1)c1ccc(F)cc1)NS(=O)(=O)c1ccc2ccccc2c1
CN(C)CCOc1cccc(Br)n1
CN(C)CCSc1cccc(n1)-c1c(C)cccc1C
CN(C)CCOc1cccc(n1)-c1c(C)cccc1C
CN(C)CCSc1cccc(n1)-c1ccoc1
CN(C)CCSc1ccccc1Br
CN(C)CCOc1ccccc1Br
CN(C)CCSc1ccccc1-c1ccccc1
CN(C)CCOc1ccccc1-c1ccccc1
COc1ccccc1-c1ccccc1OCCN(C)C
CN(C)CCSc1ccccc1-c1c(C)cccc1C |(37.51,-41.59,;36.18,-40.82,;36.18,-39.28,;34.85,-41.59,;33.51,-40.82,;32.18,-41.59,;30.85,-40.83,;30.85,-39.28,;29.51,-38.51,;28.18,-39.28,;28.18,-40.83,;29.51,-41.6,;29.52,-43.13,;30.85,-43.9,;32.18,-43.13,;30.85,-45.43,;29.51,-46.21,;28.18,-45.44,;28.18,-43.9,;26.85,-43.13,)|
CN(C)CCc1nncc(n1)-c1ccccc1
CN(C)CCc1nncc(n1)-c1c(C)cccc1C
COc1cccc(OC)c1-c1cnnc(CCN(C)C)n1
COc1cccc(OC)c1-c1ccnc(CCN(C)C)n1
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1cccc2ccccc12 |r|
CN(C)C1COc2cc(ccc2C1)-c1c(C)cccc1C
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(-c2ccccc2)n1N1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2)C1 |r|
Fc1ccccc1C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
Fc1ccc(F)c(c1)C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2)C1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
Fc1ccc(F)c(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
OC(CNCC1COc2ccccc2O1)COCc1ccccc1Cl
OC(CNCC1COc2ccccc2O1)COc1ccccc1F
CN1CCc2[nH]c3ccc(cc3c2C1)S(=O)(=O)Nc1cccc(F)c1
CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccccc1
CN1CCN(CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1
CN1CCN(CC1)c1cccc(c1)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
CN1CCN(CC1)c1cccc(c1)N(CC1CC1)S(=O)(=O)c1ccc2ccccc2c1
CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|
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)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccccc1
CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
O=S(=O)(c1n[nH]c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
CC(C)n1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
CC(C)Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
O=S(=O)(c1nn(Cc2ccccc2)c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
CN1CCN(CC1)c1ccc2C(=O)CCN(c2c1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc2N(CCC(=O)c12)S(=O)(=O)c1ccc2ccccc2c1
CC1CC(=O)c2ccc(cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
CC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
CC1CC(=O)c2c(cc(C)cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Clc1ccc(cc1)-c1nn(Cc2ccccc2)c2CCNCc12
C(c1ccccc1)n1cc(c2CNCCc12)-c1ccccc1
Clc1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
FC(F)(F)Oc1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
Clc1ccc(cc1Cl)-c1cn(Cc2ccccc2)c2CCNCc12
FC(F)(F)c1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
Clc1ccc(-c2cn(Cc3ccccc3)c3CCNCc23)c(Cl)c1
[O-][N+](=O)c1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
Cc1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
CC(C)(C)c1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
Clc1cccc(c1)-c1cn(Cc2ccccc2)c2CCNCc12
Fc1cccc(c1)-c1cn(Cc2ccccc2)c2CCNCc12
Fc1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
COc1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
Oc1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
Clc1ccccc1Cn1cc(c2CNCCc12)-c1ccccc1
Clc1cccc(Cn2cc(c3CNCCc23)-c2ccccc2)c1
Clc1ccc(Cn2cc(c3CNCCc23)-c2ccccc2)cc1
Clc1ccc(cc1)-c1cn(Cc2cccc(Cl)c2)c2CCNCc12
CN1CCc2c(C1)c(cn2Cc1ccccc1)-c1ccc(Cl)cc1
CCN1CCc2c(C1)c(cn2Cc1ccccc1)-c1ccc(Cl)cc1
CC(C)N1CCc2c(C1)c(cn2Cc1ccccc1)-c1ccc(Cl)cc1
O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1cccc2ccccc12
Clc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1ccc2ccccc2c1
NCCC(=O)Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
O=C(Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
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,)|
CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1
CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
O=c1n(CCCCN2CCN(CC2)c2ccccc2)cnc2c3ccccc3ncc12
Clc1ccccc1N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
Clc1cccc(c1)N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
Clc1ccc(cc1)N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
COc1ccccc1N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
COc1cccc(c1)N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
COc1ccc(cc1)N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
Fc1ccccc1N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
Fc1ccc(cc1)N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
Cc1ccccc1N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
O=c1n(CCCCN2CCN(CC2)c2ccc(cc2)-c2ncccn2)cnc2c3ccccc3ncc12
Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Nc1nc(Br)ncc1-c1c[nH]c2cccc(O)c12
Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
COc1cccc2[nH]cc(-c3ccnc(N)n3)c12
Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12
Fc1ccc2C(CCCCN3CCC(=CC3)c3cccc(Cl)c3)C(=O)Nc2c1 |c:13|
CCC1(CCCCN2CCC(=CC2)c2cccc(Cl)c2)C(=O)Nc2ccc(F)cc12 |c:10|
CCC1(CCCCN2CCC(CC2)c2ccc(F)cc2)C(=O)Nc2ccccc12 |w:2.2|
CCC1(CCCCN2CCC(=CC2)c2ccc(F)cc2)C(=O)Nc2ccccc12 |w:2.2,c:10|
Fc1ccc2NC(=O)C(CCCCN3CCC(=CC3)c3cccc(c3)C(F)(F)F)c2c1 |c:16|
FC(F)(F)c1cccc(c1)C1=CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |t:11|
Fc1ccc2C(CCCCN3CCN(CC3)c3ccccn3)C(=O)Nc2c1
CCC1(CCCCN2CCN(CC2)c2ccccn2)C(=O)Nc2ccccc12
O=C1Nc2ccccc2C1CCCCN1CCN(CC1)c1ccccn1
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C(=O)Nc2ccccc12 |w:2.2|
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2Cl)C(=O)Nc2ccccc12
CCC1(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)Nc2ccccc12
CCC1(CCCCN2CCN(CC2)c2ccc(F)cc2)C(=O)Nc2ccccc12 |w:2.2|
Fc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1
CCC1(CCCCN2CCN(CC2)c2cccc(F)c2)C(=O)Nc2ccccc12
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2c1cc(Cl)c(F)c2Cl
Clc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3c2cc(Cl)cc3Cl)CC1
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2c1cc(Cl)cc2Cl |w:2.1|
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)c(Cl)cc12 |w:2.1|
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc12 |w:2.1|
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2ccc(F)cc12 |w:2.1|
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2ccccc12 |w:2.1|
Fc1ccc2C(CCCCN3CCN(CC3)c3ccc(Cl)cc3)C(=O)Nc2c1
Fc1ccc2NC(=O)C(CCCCN3CCN(CC3)c3ccc(Cl)cc3)c2c1
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2c1cc(Cl)c(F)c2Cl
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2cc(F)c(Cl)cc12 |w:2.1|
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccc(F)cc12 |w:2.1|
Fc1ccc2C(CCCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)Nc2c1
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccccc12 |w:2.1|
Clc1cccc(c1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15|
CCC1(CCCCN2CCN(CC2)c2ccccc2Cl)C(=O)Nc2ccccc12 |w:2.2|
CCC1(CCCCN2CCN(CC2)c2ccccc2OC)C(=O)Nc2ccccc12 |w:2.1|
Fc1ccc2NC(=O)C(CCCCN3CCN(CC3)c3ccccc3)c2c1 |w:8.8|
O=C1Nc2ccccc2C1CCCCN1CCN(CC1)c1ccccc1
Clc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15|
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17|
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
COc1cccc2CN(CCCNS(=O)(=O)c3cccc4ccccc34)CCc12
O=S(=O)(NCCN1CCc2ccccc2C1)c1ccc2ccccc2c1
O=S(=O)(NCCN1CCc2ccccc2C1)c1ccccc1
O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc2ccccc2c1
O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccccc1
O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccc2ccccc2c1
O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccccc1
O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cccc2ccccc12
NCCCN(CCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1
NCCN(CCCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1
NCCCN(CCCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1
NCCCN(CCCCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3cccnc23)CC1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3cccnc23)CC1
O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cnc2ccccc2c1
O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccc2ncccc2c1
O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cccc2cccnc12
O=S(=O)(NCCCCN1CCc2sccc2C1)c1cnc2ccccc2c1
O=S(=O)(NCCCCN1CCc2sccc2C1)c1ccc2cccnc2c1
O=S(=O)(NCCCCN1CCC2CCCCC2C1)c1cnc2ccccc2c1
O=S(=O)(NCCCN1CCC2CCCCC2C1)c1ccc2ncccc2c1
O=S(=O)(NCCCCN1CCC2CCCCC2C1)c1cccc2cccnc12
CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1cnc2ccccc2c1
CCN(CCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc2ncccc2c1
CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc2ncccc2c1
CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1cccc2cccnc12
CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cnc2ccccc2c1
CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12
CCN(CCCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12
Oc1csc(=O)n1CCCCCCCCNCC1CCc2ccccc2O1
Oc1csc(=O)n1CCCCCCNCC1CCc2ccccc2O1
Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1Cc1cccc(CNCC2CCc3ccccc3O2)c1
Oc1c2CCCn2c(=O)n1Cc1ccc(CNCC2CCc3ccccc3O2)cc1
Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCNCC1CCc2ccccc2O1
Oc1csc(=O)n1CCCCNCC1CCc2ccccc2O1
Oc1c2CSCn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Oc1c2CCSn2c(=O)n1CCCCNCC1CCc2ccccc2O1
O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCCN12
O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCN12
Oc1c2CCCCn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCCNC[C@@H]1CCc2ccccc2O1 |r|
Oc1c2CCCn2c(=O)n1CCCCNC[C@H]1CCc2ccccc2O1 |r|
Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2n1
Oc1c2CCCn2c(=O)n1CCCCNCCc1ccc2ccccc2c1
Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2c1
Oc1c2CCCn2c(=O)n1CCCCNCCc1cccc2ccccc12
Fc1ccc(SCCCN2CCN(CC2)c2ccccn2)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
Clc1ccc(cc1)N1CCN(CCCCNS(=O)(=O)c2cncc3ccccc23)CC1
Clc1ccc(cc1)N1CCN(CCCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2cccc3ccccc23)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Clc1ccc(cc1)N1CCN(CC2CCN(CC2)S(=O)(=O)c2cnc3ccccc3c2)CC1
Clc1ccc(cc1)N1CCN(CC2CCN(CC2)S(=O)(=O)c2ccc3cccnc3c2)CC1
Clc1ccc(cc1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cnc3ccccc3c2)CC1
Clc1ccc(cc1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
Clc1ccc(cc1)N1CCN(CCCCNS(=O)(=O)c2ccc3cccnc3c2)CC1
Clc1ccc(cc1)N1CCN(CCCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
Clc1ccc(cc1)N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2cccc3cccnc23)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2cnc3ccc(Cl)cc3c2)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
Clc1ccc(cc1)N1CCN(CCCNS(=O)(=O)c2cncc3ccccc23)CC1
Clc1ccc(cc1)N1CCN(CCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
Clc1cccc(c1)N1CCN(CCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
CCN(C)C1CCCc2ccncc12
C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1 |r,t:7|
Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O
CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
CCOc1ccc(CCOC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Cc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
[O-][N+](=O)c1cc2OCOc2cc1CN1CCC(=CC1)n1[c-]2ccccc2nc1=[OH+] |c:18|
Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
CC(CCN1CCCC(C)C1)N(C)S(=O)(=O)c1cccc2ccccc12
CCCCC(=O)c1ccc(F)cc1
CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
CC[C@@](C)(CO)CNC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:25|
CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
CN1CCN(CC1)C1=Nc2ccccc2Nc2sccc12 |t:8|
CNS(=O)(=O)c1ccc2[nH]cc(CCN(C)C)c2c1
CC(N)Cc1c[nH]c2ccc3OCCCc3c12
CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12
CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
Cn1c2[nH]c(=O)n(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1cccc(Cl)c1
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1ccccc1
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1ccccc1OC
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1ccccc1
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1ccccc1
Cn1c2[nH]c(=O)n(CCCCN3CCN(CC3)c3ccccc3)c2c(=O)n(C)c1=O
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1ccccc1OC
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1cccc(Cl)c1
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1ccccc1
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCc2ccccc2C1
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1cccc(Cl)c1
Cn1c2[nH]c(=O)n(CCCN3CCN(CC3)c3ccccc3)c2c(=O)n(C)c1=O
Cn1c2[nH]c(=O)n(CCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCc2ccccc2C1
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCc2ccccc2C1
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1cccc(Cl)c1
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1ccccc1OC
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCc2ccccc2C1
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1ccccc1OC
Cn1c2[nH]c(=O)n(CCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
NC1=Nc2cccc(Cl)c2CN1 |t:1|
NC1=Nc2ccc(Cl)c(Cl)c2CN1 |t:1|
CCC1NC(N)=Nc2cccc(Cl)c12 |c:5|
CC1NC(N)=Nc2c(Cl)ccc(Cl)c12 |c:4|
COc1c(Cl)ccc2N=C(N)NC(C)c12 |t:8|
COc1cc(Cl)c(C)c2C(C)NC(N)=Nc12 |c:13|
CNC1=Nc2c(OC(C)C)cccc2C(C)N1 |t:2|
CC(C)Oc1cccc2C(C)NC(N)=Nc12 |c:13|
COc1cccc2C(C)NC(N)=Nc12 |c:11|
CNC1=Nc2ccc(Cl)c(Cl)c2C(C)N1 |t:2|
CC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:4|
CCC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:5|
CNC1=Nc2cccc(Cl)c2C(C)N1 |t:2|
CC1NC(N)=Nc2cccc(Cl)c12 |c:4|
CC1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
CC1NC(NCC(F)F)=Nc2c(Cl)ccc(Cl)c12 |c:8|
COc1c(Cl)ccc2N=C(NCC(F)F)NC(C)c12 |t:8|
CC(C)Oc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:17|
C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
COc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:15|
C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1cccc(Cl)c1)n(-c1ccccc1)c2=O
Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1ccccc1)n(-c1ccccc1)c2=O
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(cc1C)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Clc1ccc(cc1Cl)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Clc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
[O-][N+](=O)c1ccc(cc1)N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1
Cc1ccc(N2CCN(CCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccc(F)cc3)CC2)c(C)c1
CCOc1ccccc1N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(cc1C)N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(cc1)N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
[O-][N+](=O)c1ccc(cc1)N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
COc1ccc(cc1)-n1c(CNC(=O)CCCN2CCN(CC2)c2ccccc2OC)nc2ccc(F)cc2c1=O
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccc(OC)cc2)CC1
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)CC1
COc1ccc(cc1)-n1c(CNC(=O)CCCN2CCN(CC2)c2ccccc2OC)nc2ccccc2c1=O
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2cccc(OC)c2)CC1
COc1cccc(c1)-n1c(CNC(=O)CCCN2CCN(CC2)c2ccccc2OC)nc2ccc(F)cc2c1=O
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2cccc(OC)c2)CC1
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)CC1
COc1cccc(c1)-n1c(CNC(=O)CCCN2CCN(CC2)c2ccccc2OC)nc2ccccc2c1=O
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2OC)CC1 |(14.3,-22.53,;15,-22.09,;15.73,-22.49,;16.43,-22.06,;17.15,-22.45,;17.86,-22.02,;17.83,-21.19,;17.11,-20.8,;16.41,-21.23,;15.68,-20.84,;14.98,-21.27,;14.26,-20.88,;14.23,-20.06,;13.52,-19.65,;12.8,-20.06,;12.09,-19.65,;11.38,-20.06,;11.38,-20.89,;10.66,-19.65,;9.95,-20.07,;9.23,-19.66,;8.51,-20.07,;7.79,-19.66,;7.07,-20.07,;6.36,-19.66,;6.36,-18.83,;5.65,-18.42,;7.07,-18.42,;7.79,-18.83,;8.5,-18.41,;8.5,-17.58,;9.23,-18.82,;9.94,-18.41,;10.66,-18.82,;11.37,-18.41,;11.37,-17.58,;10.65,-17.17,;9.94,-17.59,;9.22,-17.18,;9.21,-16.35,;14.93,-19.62,;15.66,-20.02,)|
COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2OC)CC1 |(3.69,-21.99,;4.41,-22.38,;5.12,-21.95,;5.84,-22.34,;6.55,-21.91,;6.52,-21.08,;5.79,-20.69,;5.1,-21.13,;4.37,-20.74,;3.67,-21.17,;2.94,-20.78,;2.92,-19.95,;2.21,-19.54,;1.49,-19.96,;.78,-19.54,;.06,-19.96,;.07,-20.78,;-.65,-19.55,;-1.37,-19.96,;-2.08,-19.55,;-2.8,-19.97,;-3.52,-19.56,;-4.24,-19.97,;-4.95,-19.56,;-4.95,-18.73,;-5.67,-18.32,;-4.24,-18.32,;-3.52,-18.73,;-2.81,-18.3,;-2.81,-17.48,;-2.08,-18.72,;-1.37,-18.31,;-.66,-18.72,;.06,-18.3,;.05,-17.48,;-.67,-17.07,;-1.38,-17.48,;-2.09,-17.08,;-2.1,-16.25,;3.62,-19.52,;4.35,-19.91,)|
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2OC)CC1 |(15.25,-15.8,;15.95,-15.37,;16.68,-15.76,;17.38,-15.33,;18.1,-15.72,;18.81,-15.29,;18.78,-14.46,;18.06,-14.07,;17.36,-14.51,;16.63,-14.12,;15.93,-14.54,;15.21,-14.16,;15.18,-13.33,;14.47,-12.92,;13.75,-13.33,;13.04,-12.92,;12.33,-13.34,;12.33,-14.16,;11.61,-12.93,;10.9,-13.34,;10.18,-12.93,;9.46,-13.35,;8.74,-12.94,;8.02,-13.35,;7.31,-12.94,;6.6,-13.35,;7.31,-12.11,;8.02,-11.7,;8.74,-12.1,;9.45,-11.68,;9.45,-10.86,;10.18,-12.1,;10.89,-11.68,;11.61,-12.1,;12.32,-11.68,;12.32,-10.86,;11.6,-10.45,;10.89,-10.86,;10.17,-10.45,;10.16,-9.63,;15.88,-12.9,;16.61,-13.29,)|
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1 |(2.64,-15.65,;3.34,-15.21,;4.07,-15.61,;4.77,-15.18,;5.5,-15.57,;6.2,-15.14,;6.17,-14.31,;5.45,-13.92,;4.75,-14.35,;4.02,-13.96,;3.32,-14.39,;2.6,-14,;2.58,-13.18,;1.86,-12.77,;1.15,-13.18,;.43,-12.77,;-.28,-13.18,;-.28,-14.01,;-1,-12.77,;-1.71,-13.19,;-2.43,-12.78,;-3.15,-13.19,;-3.87,-12.78,;-4.58,-13.19,;-5.3,-12.78,;-5.3,-11.95,;-4.59,-11.54,;-3.87,-11.95,;-3.15,-11.53,;-3.16,-10.7,;-2.43,-11.94,;-1.72,-11.53,;-1,-11.94,;-.29,-11.53,;-.29,-10.7,;-1.01,-10.29,;-1.72,-10.71,;-2.44,-10.3,;-2.44,-9.48,;3.27,-12.74,;4,-13.14,)|
COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1 |(14.36,-8.25,;15.08,-8.64,;15.79,-8.21,;16.51,-8.6,;17.22,-8.17,;17.19,-7.34,;16.47,-6.95,;15.77,-7.38,;15.04,-7,;14.34,-7.43,;13.61,-7.04,;13.59,-6.21,;12.88,-5.8,;12.16,-6.21,;11.45,-5.8,;10.73,-6.22,;10.74,-7.04,;10.02,-5.81,;9.31,-6.22,;8.59,-5.81,;7.87,-6.23,;7.15,-5.82,;6.43,-6.23,;5.72,-5.81,;5.72,-4.99,;6.43,-4.57,;7.15,-4.98,;7.86,-4.56,;7.86,-3.74,;8.59,-4.98,;9.3,-4.56,;10.01,-4.98,;10.73,-4.56,;10.72,-3.74,;10,-3.33,;9.29,-3.74,;8.58,-3.33,;8.57,-2.51,;14.29,-5.78,;15.02,-6.17,)|
CC(=O)c1ccc(cc1)N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)n(-c3ccccc3)c(=O)c2c1
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
COc1ccc(cc1)N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
COc1cccc(c1)N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(cc1C)N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(C)c(c1)N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c(C)c1
Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1C
Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)n(-c3ccccc3)c(=O)c2c1
Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2c1
Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3)n(-c3ccccc3)c(=O)c2c1
Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3ccccc3Cl)n(-c3ccccc3)c(=O)c2c1
Fc1ccc(cc1)N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3ccccc3F)n(-c3ccccc3)c(=O)c2c1
Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3ccccc3)n(-c3ccccc3)c(=O)c2c1
CC(=O)c1ccc(cc1)N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)n(-c1ccccc1)c2=O
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
COc1ccc(cc1)N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
COc1cccc(c1)N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(cc1C)N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(C)c(c1)N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(N2CCN(CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c(C)c1
Cc1cccc(N2CCN(CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c1C
Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1)n(-c1ccccc1)c2=O
Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1)n(-c1ccccc1)c2=O
Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1ccccc1Cl)n(-c1ccccc1)c2=O
Fc1ccc(cc1)N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1ccccc1F)n(-c1ccccc1)c2=O
CC(=O)c1ccc(cc1)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
COc1ccc(cc1)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
COc1cccc(c1)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(C)c(c1)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(N2CCN(CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c(C)c1
Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1C
Clc1ccc(cc1)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Clc1cccc(c1)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Fc1ccc(cc1)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Fc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
O=C(CCCN1CCN(CC1)c1ccccc1)NCc1nc2ccccc2c(=O)n1-c1ccccc1
CCOc1ccccc1N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1
COc1ccc(cc1)N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1
Cc1cccc(C)c1N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1
Fc1ccc(cc1)-n1c(CNC(=O)CCN2CCN(CC2)c2ccccc2)nc2ccccc2c1=O
CC(=O)c1ccc(cc1)N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
COc1ccc(cc1)N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
COc1cccc(c1)N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Cc1ccc(N2CCN(CCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c(C)c1
Cc1cccc(N2CCN(CCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1C
Clc1ccc(cc1)N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Clc1ccccc1N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
O=C(CCN1CCN(CC1)c1ccccc1)NCc1nc2ccccc2c(=O)n1-c1ccccc1
CCC1(CCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccccc12 |w:2.1|
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2c1cc(F)cc2Cl |w:2.1|
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2c1cc(Cl)cc2Cl |w:2.1|
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2cc(F)ccc12 |w:2.1|
CCC1(CCCCN2CCc3ccccc3C2)C(=O)Nc2ccccc12 |w:2.1|
CCC1(CCCCN2CCc3sccc3C2)C(=O)Nc2ccccc12 |w:2.1|
CCC1(CCCCN2CCC(=CC2)c2ccc(Cl)cc2)C(=O)Nc2ccccc12 |w:2.2,c:10|
CCC1(CCCCN2CCN(CC2)c2ccc(F)c(Cl)c2)C(=O)Nc2ccccc12 |w:2.2|
CCC1(CCCCN2CCN(CC2)c2ccc(OC)cc2)C(=O)Nc2ccccc12 |w:2.2|
CCC1(CCCCN2CCN(CC2)c2cccc(OC)c2)C(=O)Nc2ccccc12 |w:2.2|
Fc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3ccc(F)cc23)CC1 |w:15.15|
CCC1(CCCCN2CCN(CC2)c2ccc(F)cc2)C(=O)Nc2ccc(F)cc12 |w:2.1|
Fc1ccc2NC(=O)C(CCCCN3CCN(CC3)c3cccc(Cl)c3)c2c1 |w:8.8|
CCC1(CCCCN2CCN(CC2)c2ccccc2OC)C(=O)N(Cc2ccccc2)c2ccccc12 |w:2.1|
CCC1(CCCCN2CCN(CC2)c2ccccc2)C(=O)Nc2ccccc12 |w:2.1|
CCC1(CCCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2ccccc12 |w:2.1|
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2c1cc(F)cc2Cl |w:2.1|
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccc(Cl)cc12 |w:2.1|
CCC1(CCCCN2CCN(CC2)c2ccc(C)c(Cl)c2)C(=O)Nc2ccccc12 |w:2.2|
CC(C)CC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccccc12 |w:4.4|
CCC1(CCCCN2CCN(CC2)c2ccccc2)C(=O)N(C)c2ccccc12 |w:2.1|
CCC1(CCCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccccc12 |w:2.1|
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
COc1ccccc1N1CCN(CC1)C(=O)NC(N)=NCc1cccc2ccccc12 |w:19.21|
CCOc1ccccc1CN=C(N)NC(=O)NC |w:10.10|
CC1CCN(CC1)C(N)=NCCNS(=O)(=O)c1cccc(C)c1 |w:9.10|
Cc1cccc(c1)S(=O)(=O)NCCN=C(N)N1CCC(CC1)c1ccccc1 |w:13.13|
COc1ccccc1N1CCN(CC1)C(N)=NCCNS(=O)(=O)c1cccc(C)c1 |w:16.18|
Cc1cccc(c1)S(=O)(=O)NCCCN=C(N)N1CCC(CC1)c1ccccc1 |w:14.14|
COc1ccccc1N1CCN(CC1)C(N)=NCCCNS(=O)(=O)c1cccc2ccccc12 |w:16.18|
Cc1cccc(c1)S(=O)(=O)NCCCCN=C(N)N1CCC(CC1)c1ccccc1 |w:15.15|
COc1ccccc1N1CCN(CC1)C(N)=NCCCCNS(=O)(=O)c1ccc(C)cc1 |w:16.18|
NC(=NCCCCNS(=O)(=O)c1cccc2ccccc12)N1CCc2ccccc2C1 |w:2.2|
O=C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1ccccc1
CN1CCN(CC1)c1ccc2nc(Cc3ccc4ccccc4c3)[nH]c2c1
C(c1nc2ccc(cc2[nH]1)N1CCNCC1)c1ccc2ccccc2c1
CN1CCN(CC1)c1ccc2nc(Cc3cccc4ccccc34)[nH]c2c1
C(c1nc2ccc(cc2[nH]1)N1CCNCC1)c1cccc2ccccc12
CN1CCN(CC1)c1ccc2nc(Cc3ccccc3)[nH]c2c1
C(c1nc2ccc(cc2[nH]1)N1CCNCC1)c1ccccc1
C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc2[nH]c(Cc3cccc4ccccc34)nc12
C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
CN1CCN(CC1)c1cccc2[nH]c(Cc3ccccc3)nc12
C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1ccccc1
O=C(c1nc2ccc(cc2[nH]1)N1CCNCC1)c1ccc2ccccc2c1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1cccc2ccccc12
CN1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccccc1
CN1CCN(CC1)c1cccc2[nH]c(nc12)C(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc2[nH]c(nc12)C(=O)c1cccc2ccccc12
O=C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
CN1CCN(CC1)c1cccc2[nH]c(nc12)C(=O)c1ccccc1
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
COc1ccccc1CC(N1CCNCC1)c1ccccc1
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
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|
Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCN(CCCCC(=O)c2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCC(=O)c2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
OC1(CCN(CCCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1
Clc1ccc(cc1)N1CCN(CCCCc2nc3ccccc3s2)CC1
C(CCc1nc2ccccc2s1)CN1CCc2ccccc2C1
C(CCc1nc2ccccc2s1)CN1Cc2ccccc2C1
O=C(CCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
O=C(CCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
Clc1ccc2n(C3CCN(CCCCC(=O)c4nc5ccccc5s4)CC3)c(=O)[nH]c2c1
O=C(CCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1nc2ccccc2s1
O=C(CCCCN1Cc2ccccc2C1)c1nc2ccccc2s1
O=C(CCCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
O=C(CCCCN1CCN(CC1)c1ccccc1)c1nc2ccccc2s1
O=C(CCCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
CCCCN1CCC2(C1)OC(Cc1ccccc21)OC
CCCCCCCCN1CCC2(C1)OC(Cc1ccccc21)OC
COC1OC2(CCN(CCc3ccccc3)C2)c2ccccc12
COC1OC2(CCN(CCCCc3ccccc3)C2)c2ccccc12
CCCCN1CCC2(C1)OC(OC)c1ccccc21
CCCCCCCCN1CCC2(C1)OC(OC)c1ccccc21
COC1OC2(CCN(CCCCn3ccnc3)C2)c2ccccc12
COC1OC2(CCN(Cc3ccccc3)C2)c2ccccc12
COC1Cc2ccccc2C2(CCN(Cc3ccccc3)C2)O1
COC1Cc2ccccc2C2(CCN(CCc3ccccc3)C2)O1
COC1Cc2ccccc2C2(CCN(CCCCc3ccccc3)C2)O1
CCOc1ccccc1C(=O)NCC1CCN(CCOc2ccccc2SC)CC1
Cc1ccccc1C(=O)NCC1CCN(CCOc2ccccc2C(C)(C)C)CC1
Cc1ccccc1C(=O)NCC1CCN(CCOc2cccc(c2)-c2ccccc2)CC1
Cc1ccccc1C(=O)NCC1CCN(CCOc2cccc3CCCCc23)CC1
Fc1cccc(c1)C(=O)NCC1CCN(CCOc2cc(Cl)ccc2Cl)CC1
O=C(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc2ccccc2n1
CC(C)c1ccccc1OCCN1CCC(CNC(=O)c2cccs2)CC1
COc1ccc(OC)c(c1)S(=O)(=O)NCC1CCN(CCOc2ccccc2C(C)C)CC1
CCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2C(C)C)CC1
CCOc1ccccc1C(=O)NC1CCN(CCSc2ccccc2-c2ccccc2)CC1
Cc1ccccc1C(=O)NC1CCN(CCSc2cccc(Cl)c2Cl)CC1
CC(C)(C)c1ccccc1OCCN1CCC(CC1)NC(=O)c1cccc(F)c1
Fc1cccc(c1)C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1
Clc1ccc(Cl)c(OCCN2CCC(CC2)NC(=O)c2ccc3ccccc3n2)c1
O=C(NC1CCN(CCSc2ccccc2-c2ccccc2)CC1)c1ccc2ccccc2n1
CSc1ccccc1OCCN1CCC(CC1)NC(=O)c1cccs1
O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccs1
CSc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(Cl)s1
Clc1ccc(s1)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1
Fc1ccc(cc1F)S(=O)(=O)NC1CCN(CCSc2ccccc2-c2ccccc2)CC1
CCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2C(C)C)C1
CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(NC(C)=O)c2)C1
CCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(c2)-c2ccccc2)C1
Cc1ccccc1C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
Cc1ccccc1C(=O)NC1CCN(CCSc2cccc(Cl)c2Cl)C1
Fc1cccc(c1)C(=O)NC1CCN(CCOc2cccc(c2)-c2ccccc2)C1
Fc1cccc(c1)C(=O)NC1CCN(CCOc2cccc3CCCCc23)C1
Clc1cccc(SCCN2CCC(C2)NC(=O)c2ccc3ccccc3n2)c1Cl
Clc1cccc(OCCN2CCC(C2)NC(=O)c2ccc3OCCOc3c2)c1Cl
CC(C)c1ccccc1OCCN1CC[C@H](C1)NS(=O)(=O)c1ccc(Cl)s1 |r|
CSc1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1ccc(Cl)s1
Fc1ccc(cc1)S(=O)(=O)N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1 |r|
Fc1ccc(cc1F)S(=O)(=O)NC1CCN(CCOc2cc(Cl)ccc2Cl)C1
Clc1ccc(s1)S(=O)(=O)NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1
Fc1cccc(OCCN2CCC(CNS(=O)(=O)c3cccs3)CC2)c1
CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
Fc1ccc(cc1)S(=O)(=O)NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1
Fc1ccc(cc1)S(=O)(=O)NCC1CCN(CCOc2cccc(F)c2)CC1
CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
CSc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
Fc1cccc(OCCN2CCC(CNS(=O)(=O)c3cccc(Cl)c3)CC2)c1
CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(F)c2)CC1
O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1cccs1
CC(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
Fc1ccc(cc1F)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1
Fc1cccc(C(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)C2)c1F
CC(C)c1ccccc1OCCN1CCC(C1)NC(=O)c1ccc2ccccc2n1
O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1
CC(C)c1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1cccs1
O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccs1
O=S(=O)(NC1CCN(CCOc2cccc3CCCCc23)C1)c1cccs1
Fc1cccc(OCCN2CCC(C2)NS(=O)(=O)c2cccs2)c1
Clc1ccc(s1)S(=O)(=O)NC1CCN(CCOc2cccc(Cl)c2Cl)C1
Clc1ccc(s1)S(=O)(=O)NC1CCN(CCOc2cc(Cl)ccc2Cl)C1
Clc1ccc(s1)S(=O)(=O)NC1CCN(CCOc2ccccc2)C1
CC(C)c1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1cccc2cccnc12
CSc1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1ccc(F)cc1
Fc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2)C1
Fc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2cccc3CCCCc23)C1
Fc1ccc(cc1F)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
Fc1cccc(OCCN2CCC(C2)NS(=O)(=O)c2ccc(F)c(F)c2)c1
Fc1ccc(F)c(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
Fc1ccc(F)c(c1)S(=O)(=O)NC1CCN(CCOc2cccc3CCCCc23)C1
CC(C)c1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1cccc(Cl)c1
CSc1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1cccc(Cl)c1
Clc1ccc(s1)S(=O)(=O)N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1 |r|
CC(C)c1ccccc1OCCN1CC[C@@H](C1)NS(=O)(=O)c1ccc(Cl)s1 |r|
Clc1ccc(s1)S(=O)(=O)N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1 |r|
Fc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1 |r|
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
Cc1ccc(cc1C)-c1ccccc1N1CCNCC1
Fc1ccc(cc1)-c1cccc(c1)N1CCNCC1
Fc1ccc(cc1)-c1ccccc1N1CCNCC1
C1CN(CCN1)c1cccc(c1)-c1ccccc1
C1CN(CCN1)c1ccccc1-c1ccccc1
Cc1ccccc1-c1cccc(c1)N1CCNCC1
Cc1ccccc1-c1ccccc1N1CCNCC1
COc1ccccc1-c1cccc(c1)N1CCNCC1
COc1ccccc1-c1ccccc1N1CCNCC1
COc1cccc(OC)c1-c1cccc(c1)N1CCNCC1
COc1cccc(OC)c1-c1ccccc1N1CCNCC1 |(30.32,-37.94,;31.66,-38.71,;32.99,-37.94,;34.32,-38.7,;35.65,-37.93,;35.65,-36.38,;34.31,-35.62,;35.4,-34.52,;36.89,-34.91,;32.99,-36.4,;31.66,-35.63,;30.32,-36.4,;28.99,-35.63,;28.99,-34.09,;30.32,-33.32,;31.66,-34.08,;32.98,-33.31,;34.32,-34.07,;35.64,-33.31,;35.64,-31.77,;34.31,-31,;32.97,-31.77,)|
C1CN(CCN1)c1cccc(c1)-c1ccccn1
C1CN(CCN1)c1ccccc1-c1ccccn1
[O-][N+](=O)c1ccc(cc1)-c1cccc(c1)N1CCNCC1
[O-][N+](=O)c1ccc(cc1)-c1ccccc1N1CCNCC1
COc1ccc(cc1)-c1cccc(c1)N1CCNCC1
Cc1ccc(cc1C)-c1cccc(c1)N1CCNCC1
O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1
Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
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|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
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|
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cc(Br)c(Br)s1
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc2ccccc12
C[C@H](CCN1CCC[C@@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc12
C[C@H](CCN1CCC[C@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc12
C[C@@H](CCN1CCC[C@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc12
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1ccc(Br)c(Br)c1
C[C@@H](CCN1CCC[C@@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc12
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O
CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1
Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1
Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1
CNc1cc(cc(Br)n1)S(=O)(=O)c1ccc(N)cc1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cc4ccccc4cn3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cncc4ccccc34)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc4cccnc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cnc4ccccc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCNS(=O)(=O)c3ccc4cccnc4c3)CC2)c1Cl
CSc1ccc2CC=C(CCN)c2c1 |t:7|
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cccc4cccnc34)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc4ncccc4c3)CC2)c1Cl
Clc1ccc2ncc(cc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Clc1cccc(N2CCN(CCCNS(=O)(=O)c3ccc4ncccc4c3)CC2)c1Cl
Clc1ccc2ncc(cc2c1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
COc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1
Cc1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Cc1cccc(c1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Cc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1
COc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2C)CC1
COc1ccccc1N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
COc1cccc(c1)-c1ccccc1CN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2OC)CC1
FC(F)(F)c1cccc(c1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
COc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2F)CC1
COc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2Cl)CC1
COc1ccccc1N1CCN(Cc2ccccc2-c2cccc(Cl)c2)CC1
COc1ccc(cc1OC)N1CCN(Cc2ccccc2-c2ccccc2)CC1
COc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccccc1OC
C(N1CCN(CC1)c1ccccc1)c1ccccc1-c1ccccc1
Fc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1
Cc1cc(C)cc(c1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Cc1ccc(C)c(c1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Cc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c(C)c1
Cc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1C
COc1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
COc1cccc(c1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Clc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1
Fc1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Fc1cccc(c1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(CC1)c1noc2ccccc12 |r|
CSc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccccc1O |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccccc1Cl |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccc(Cl)cc1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccc(F)cc1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccc(F)cc1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1Cl |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1noc2ccccc12 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(CC1)c1noc2ccccc12 |r|
CSc1ccccc1N1CCN(CCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(CCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1ccccc1O |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1ccccc1Cl |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1ccccc1F |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1 |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1ccc(F)cc1 |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1cccc(Cl)c1Cl |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1Cl |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1noc2ccccc12 |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12 |r|
CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
CCOc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
CN1C(=O)N(CCCCCN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1
CN1C(=O)N(CCCCCN2CCN(CC2)c2ccccc2F)C(C)(C1=O)c1ccccc1
COc1ccccc1N1CCN(CCCCCN2C(=O)N(C)C(=O)C2(C)c2ccccc2)CC1
CC1(C)N(CCCCCN2CCN(CC2)c2ccccc2)C(=O)N(Cc2ccccc2)C1=O
COc1ccccc1N1CCN(CCCCCN2C(=O)N(Cc3ccccc3)C(=O)C2(C)C)CC1
COc1cccc(c1)N1CCN(CCCCCN2C(=O)N(Cc3ccccc3)C(=O)C2(C)C)CC1
CC1(C)N(CCCCCN2CCN(CC2)c2ccccc2F)C(=O)N(Cc2ccccc2)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(F)cc2)C(=O)N(Cc2ccccc2)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(F)cc2F)C(=O)N(Cc2ccccc2)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(F)cc2F)C(=O)N(Cc2ccc(F)cc2)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(F)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
CCCN(CCCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
Oc1cccc(c1)N(CCCN1CCN(CC1)c1ccccc1)Cc1ccccc1
Oc1cccc(c1)N(CCCN1CCN(CC1)c1ccccc1)c1ccccc1
Oc1cccc(c1)N(CCCN1CCN(CC1)c1ccccc1)S(=O)(=O)c1ccccc1
Oc1cccc2CCC(Cc12)N1CCN(CC1)c1ccccc1
CN(CCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
Oc1cccc(NCCN2CCN(CC2)c2ccccc2)c1
CN(CCN1CCN(CC1)c1ccccc1)c1cccc(NS(C)(=O)=O)c1
CN(CCCN1CCN(CC1)c1ccccc1)c1cccc(C)c1
CN(CCCN1CCN(CC1)c1ccccc1)c1cccc(Br)c1
CN(CCCN1CCN(CC1)c1ccccc1)c1cccc(Cl)c1
CN(CCCN1CCN(CC1)c1ccccc1)c1cccc(F)c1
Oc1cccc(NCCCN2CCN(CC2)c2ccccc2)c1
CN(CCCN1CCN(CC1)c1cccc2ccccc12)c1cccc(O)c1
CN(CCCN1CCN(CC1)c1ccc2ccccc2c1)c1cccc(O)c1
CN(CCCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
CN(CCCN1CCN(CC1)c1ccccc1)c1cccc(NC(C)=O)c1
CN(CCCN1CCN(CC1)c1ccccc1)c1cccc(NS(C)(=O)=O)c1
NC(=O)c1cccc(NCCCN2CCN(CC2)c2ccccc2)c1
COC(=O)c1cccc(NCCCN2CCN(CC2)c2ccccc2)c1
OCc1cccc(NCCCN2CCN(CC2)c2ccccc2)c1
O=Cc1cccc(NCCCN2CCN(CC2)c2ccccc2)c1
CN(C(=O)CCCCCN1CCN(CC1)c1cccc2ccccc12)c1cccc(O)c1
CN(CCCCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
CN(CCCCCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
CN(CCCCCCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
CN(CCCCCCN1CCC(CC1)c1ccccc1)c1cccc(O)c1
CN(CCCCCCN1CCN(CC1)c1cccc2ccccc12)c1cccc(O)c1
CN(CCCCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)c1cccc(O)c1
CCN(CCCCCCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
Oc1cccc(c1)N(CCCCCCN1CCN(CC1)c1ccccc1)Cc1ccccc1
CN(CCCN1CCC(CC1)(c1ccccc1)c1ccccc1)c1cccc(O)c1
CN(CCCN1CCC(CC1)N(c1ccccc1)c1ccccc1)c1cccc(O)c1
Oc1cccc(CCCN2CCN(CC2)c2ccccc2)c1
Oc1cccc(CCCCN2CCN(CC2)c2ccccc2)c1
Oc1ccc2[nH]cc(CCN3CCN(CC3)c3cccc4ccccc34)c2c1
CCc1[nH]c2ccc(O)cc2c1CCN1CCN(CC1)c1cccc2ccccc12
Cc1[nH]c2ccc(O)cc2c1CCN1CCN(CC1)c1cccc2ccccc12
Oc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3)c2c1
CN(CCN1CCN(CC1)c1ccccc1)c1cccc(c1)[N+]([O-])=O
C(CN1CCN(CC1)c1ncccn1)Cc1nc2ccccc2s1
Cc1cccc(c1)S(=O)(=O)NCCN1CCN(CC1)c1nsc2ccccc12
Cc1cccc(c1)S(=O)(=O)NCCCN1CCN(CC1)c1nsc2ccccc12
Cc1cccc(c1)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Clc1ccc(cc1Cl)S(=O)(=O)NCCCN1CCN(CC1)c1nsc2ccccc12
Clc1ccc(cc1Cl)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Fc1ccc(cc1Cl)S(=O)(=O)NCCCN1CCN(CC1)c1nsc2ccccc12
Fc1ccc(cc1Cl)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1nsc2ccccc12
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cccs1
O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccs1
O=S(=O)(NCCN1CCN(CC1)c1nsc2ccccc12)c1ccc2ccccc2c1
O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1ccc2ccccc2c1
O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccc2ccccc2c1
Clc1ccc2cc(ccc2c1)S(=O)(=O)NCCCN1CCN(CC1)c1nsc2ccccc12
Clc1ccc2cc(ccc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cc2ccccc2s1
O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cc2ccccc2s1
Clc1ccc2cc(sc2c1)S(=O)(=O)NCCCN1CCN(CC1)c1nsc2ccccc12
Clc1ccc2cc(sc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCN1CCN(CC1)c1nsc2ccccc12
Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cnc2ccccn12
O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cnc2ccccn12
O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2scnc12
O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2scnc12
Cc1cccc(c1)S(=O)(=O)NCCCN1CCN(CC1)c1noc2ccccc12
Cc1cccc(c1)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
Clc1ccc(cc1Cl)S(=O)(=O)NCCCN1CCN(CC1)c1noc2ccccc12
Clc1ccc(cc1Cl)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
Fc1ccc(cc1Cl)S(=O)(=O)NCCCN1CCN(CC1)c1noc2ccccc12
Fc1ccc(cc1Cl)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1noc2ccccc12
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
O=S(=O)(NCCCN1CCN(CC1)c1noc2ccccc12)c1cccs1
O=S(=O)(NCCCCN1CCN(CC1)c1noc2ccccc12)c1cccs1
O=S(=O)(NCCCN1CCN(CC1)c1noc2ccccc12)c1ccc2ccccc2c1
O=S(=O)(NCCCCN1CCN(CC1)c1noc2ccccc12)c1ccc2ccccc2c1
Clc1ccc2cc(ccc2c1)S(=O)(=O)NCCCN1CCN(CC1)c1noc2ccccc12
Clc1ccc2cc(ccc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
O=S(=O)(NCCCN1CCN(CC1)c1noc2ccccc12)c1cc2ccccc2s1
O=S(=O)(NCCCCN1CCN(CC1)c1noc2ccccc12)c1cc2ccccc2s1
Clc1ccc2cc(sc2c1)S(=O)(=O)NCCCN1CCN(CC1)c1noc2ccccc12
Clc1ccc2cc(sc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCN1CCN(CC1)c1noc2ccccc12
Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
O=S(=O)(NCCCCN1CCN(CC1)c1noc2ccccc12)c1cnc2ccccn12
O=S(=O)(NCCCN1CCN(CC1)c1noc2ccccc12)c1cccc2scnc12
O=S(=O)(NCCCCN1CCN(CC1)c1noc2ccccc12)c1cccc2scnc12
Cc1cccc(c1)S(=O)(=O)NCCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1cccc(c1)S(=O)(=O)NCCCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cccs2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cccs2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cccc3ccccc23)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cccc3ccccc23)CC1
Fc1ccc2c(noc2c1)C1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2csc3ccccc23)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2csc3ccccc23)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cc3ccccc3s2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1
Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cnc3ccccn23)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cnc3ccccn23)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cccc3scnc23)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cccc3scnc23)CC1
Cn1c2nc(N3CCOCC3)n(CCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Cl.COc1ccccc1N1CCN(CCCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Cl.Cn1c2ncn(CCCCCN3CCN(CC3)c3ccccc3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Cl.COc1ccccc1N1CCN(CCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Cl.Cn1c2ncn(CCCCN3CCN(CC3)c3ccccc3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Cl.COc1ccccc1N1CCN(CCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Cl.Cn1c2ncn(CCCN3CCN(CC3)c3ccccc3)c2c(=O)n(C)c1=O
CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1ccccc-21
Cl.[#7]\[#6](-[#7])=[#7]/[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1cccc(Cl)c-21
Cl.[#7]\[#6](-[#7])=[#7]/[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1cc(Cl)ccc-21
Cl.[#6]-c1cccc2-[#6](-[#8])-c3cc(ccc3-c12)-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Cl.[#7]\[#6](-[#7])=[#7]/[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1cccc(F)c-21
[#6]-[#6]-c1cccc2-[#6](-[#8])-c3cc(ccc3-c12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Cl.[#7]\[#6](-[#7])=[#7]/[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1ccc(Cl)cc-21
Cl.[#7]\[#6](-[#7])=[#7]/[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1c-2cccc1Cl
Cl.[#6]-c1cccc2-c3ccc(cc3-[#6](-[#8])-c12)-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1cccc(-[#6]-[#8])c-21
Cl.[#6]-[#8]-[#6]-c1cccc2-[#6](-[#8])-c3cc(ccc3-c12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Cl.[#6]-[#6](=O)-[#7]-[#6]-1-c2ccccc2-c2ccc(cc-12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Cl.[#7]-[#6]-1-c2ccccc2-c2ccc(cc-12)-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Cl.NC(=N)NC(=O)c1ccc-2c(c1)C(F)c1ccccc-21
Cl.[#6]-[#6]-1-c2ccccc2-c2ccc(cc-12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Cl.[#6]-c1cccc2c1-c1ccc(cc1C2([#6])[#8])-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Cl.[#6]-[#6]-c1cccc2c1-c1ccc(cc1C2([#6])[#8])-[#6](=O)\[#7]=[#6](\[#7])-[#7]
OC1(CC2CCC(C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCSc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCSc1cccc(F)c1)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
OC1(CCN(CCCCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
[H][C@]12CCCC[C@]1([H])CN(CC\C=C\CCN1C(=O)Cc3ccccc13)CC2 |r|
[H][C@]12CCCC[C@]1([H])CN(CCCCCCCN1C(=O)Cc3ccccc13)CC2 |r|
[H][C@]12CCCC[C@]1([H])CN(CCCCCN1C(=O)Cc3ccccc13)CC2 |r|
[H][C@]12CCCC[C@]1([H])CN(CCCCN1C(=O)Cc3ccccc13)CC2 |r|
O=C1Cc2ccccc2N1CCCCCCCN1CCc2ccccc2C1
O=C1Cc2ccccc2N1CCCCCCN1CCc2ccccc2C1
O=C1Cc2ccccc2N1CCCCCN1CCc2ccccc2C1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
COc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(C)cc2)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(C)c2)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2C)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2c(OC)cccc2OC)CC1 |(26.8,-10.21,;25.47,-10.98,;25.48,-12.52,;26.82,-13.29,;26.82,-14.83,;25.49,-15.6,;24.15,-14.83,;24.16,-13.3,;22.83,-12.53,;21.49,-13.3,;20.16,-12.53,;20.16,-10.98,;18.82,-10.22,;17.49,-11,;16.16,-10.23,;14.83,-11.01,;13.49,-10.25,;13.48,-8.71,;12.16,-11.02,;10.82,-10.25,;9.49,-11.03,;9.5,-12.58,;8.16,-13.35,;6.82,-12.58,;6.83,-11.04,;8.16,-10.27,;8.15,-8.73,;6.81,-7.97,;5.47,-8.76,;5.49,-10.31,;6.8,-6.43,;8.14,-5.65,;9.48,-6.42,;9.48,-7.96,;10.81,-8.73,;12.16,-7.95,;21.49,-10.21,;22.82,-10.99,)|
COc1ccc(cc1)-c1ccccc1CNC(=O)CCCCN1CCN(CC1)c1ccccc1OC
COc1cccc(c1)-c1ccccc1CNC(=O)CCCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2OC)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(Cl)cc2)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(Cl)c2)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(F)c2)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2F)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(=O)NCc2ccccc2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCCCCn2c3ccccc3sc2=O)CC1
COc1ccccc1N1CCN(CCCCCCCn2c3ccccc3oc2=O)CC1
O=c1sc2ccccc2n1CCCCCCCN1CCN(CC1)c1ccccc1
O=c1oc2ccccc2n1CCCCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCCn2c3ccccc3sc2=O)CC1
COc1ccccc1N1CCN(CCCCCCn2c3ccccc3oc2=O)CC1
O=c1sc2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
O=c1oc2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCn2c3ccccc3sc2=O)CC1
COc1ccccc1N1CCN(CCCCCn2c3ccccc3oc2=O)CC1
O=c1sc2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
O=c1oc2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
O=c1sc2ccccc2n1CCCCN1CCc2ccccc2C1
Clc1cccc(c1)N1CCN(CCCCn2c3ccccc3sc2=O)CC1
Clc1ccc(cc1)N1CCN(CCCCn2c3ccccc3sc2=O)CC1
O=c1sc2ccccc2n1CCCCN1CCN(Cc2ccccc2)CC1
Cc1ccccc1N1CCN(CCCCn2c3ccccc3sc2=O)CC1
COc1ccccc1N1CCN(CCCCn2c3ccccc3sc2=O)CC1
COc1ccccc1N1CCN(CCCCn2c3ccccc3oc2=O)CC1
O=c1sc2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
O=c1oc2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
O=c1n(CCCCCN2CCN(CC2)c2ccccc2)cnc2ccccc12
O=c1n(CCCCCN2CCN(Cc3ccccc3)CC2)cnc2ccccc12
Clc1cccc(c1)N1CCN(CCCCCn2cnc3ccccc3c2=O)CC1
Clc1ccc(cc1)N1CCN(CCCCCn2cnc3ccccc3c2=O)CC1
CCOc1ccccc1N1CCN(CCCCCn2cnc3ccccc3c2=O)CC1
Cc1sc2ncn(CCCCCN3CCN(CC3)c3ccccc3)c(=O)c2c1C
Cc1sc2ncn(CCCCCN3CCN(Cc4ccccc4)CC3)c(=O)c2c1C
Cc1sc2ncn(CCCCCN3CCN(CC3)c3cccc(Cl)c3)c(=O)c2c1C
Cc1sc2ncn(CCCCCN3CCN(CC3)c3ccc(Cl)cc3)c(=O)c2c1C
c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N
NC(=O)c1ccccc1NC(=O)CCCCN1CCN(CC1)c1cccc(Cl)c1
Cc1sc2nc(CCCCN3CCN(CC3)c3ccccc3)[nH]c(=O)c2c1C
Cc1sc2nc(CCCCCN3CCN(CC3)c3ccccc3)[nH]c(=O)c2c1C
Cc1cc2c(nc(CCCCCN3CCN(Cc4ccccc4)CC3)[nH]c2=O)s1
Cc1sc2nc(CCCCCN3CCC(Cc4ccccc4)CC3)[nH]c(=O)c2c1C
Cc1sc2nc(CCCCCN3CCN(CC3)c3cccc(Cl)c3)[nH]c(=O)c2c1C
Cc1sc2nc(CCCCCN3CCN(CC3)c3ccc(Cl)cc3)[nH]c(=O)c2c1C
O=c1[nH]c(CCCCN2CCN(CC2)c2ccccc2)nc2ccccc12
Clc1cccc(c1)N1CCN(CCCCc2nc3ccccc3c(=O)[nH]2)CC1
Clc1ccc(cc1)N1CCN(CCCCc2nc3ccccc3c(=O)[nH]2)CC1
O=c1[nH]c(CCCCCN2CCN(CC2)c2ccccc2)nc2ccccc12
Clc1cccc(c1)N1CCN(CCCCCc2nc3ccccc3c(=O)[nH]2)CC1
Clc1ccc(cc1)N1CCN(CCCCCc2nc3ccccc3c(=O)[nH]2)CC1
Clc1cccc(c1)N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
Brc1ccc(s1)S(=O)(=O)Nc1ccn(Cc2cccc3ccccc23)n1
Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12
Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccccc2)c2ccccc12
Clc1ccc2NC(=O)C(c2c1)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Cc1ccc(cc1)S(=O)(=O)c1nc(sc1Cl)N1CCc2ccccc2C1
O=S(=O)(Nc1cc2C3CCCCC3(Oc2c2ccccc12)N1CCOCC1)c1ccccc1
Fc1ccc(cc1)S(=O)(=O)N1CC=c2ccccc2=C1c1c[nH]c2ccccc12 |c:20,t:13|
Nc1c(sc2nc(cc(-c3ccccc3)c12)-c1ccccc1)S(=O)(=O)c1ccccc1
O=S(=O)(N1C=Cc2ccccc2C1c1c[nH]c2ccccc12)c1ccccc1 |c:4|
Brc1ccc2n3CCN(Cc4ccccc4)C4CCCc(c34)c2c1
Cc1ccc(cc1)S(=O)(=O)N\N=C1/CCCc2c1[nH]c1ccc(Cl)cc21
Clc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1nccc2ccccc12
Fc1cc(Cl)ccc1CN1c2ccccc2S(=O)(=O)c2ccccc12
O=c1ccc(n[nH]1)-c1ccc(s1)S(=O)(=O)Nc1cccc2CCCCc12
COc1cccc(c1)-n1cc(C(=O)N(C)c2cccc(Cl)c2)c2ccccc2c1=O
CCS(=O)(=O)c1nc(c(s1)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1
Cc1ccc(Nc2c(cnc3ccc(Cl)cc23)S(=O)(=O)c2ccccc2)cc1
NC(=O)C1CCN(CC1)c1c(cnc2ccc(Cl)cc12)S(=O)(=O)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)c1cnc2ccc(F)cc2c1SCc1ccc(Cl)cc1
COCCn1c(C)c(C)c(c1N)S(=O)(=O)c1ccc(Cl)cc1
CN(C(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)c1cc(Cl)ccc1C
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccccc1-c1ccccc1 |r|
O=C(CCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
O=C(CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCOCC1 |r|
O=C(CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 |r|
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 |r|
O=C(CCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCOCC1 |r|
O=C(CCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 |r|
CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1 |r|
CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1 |r|
O=C(CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCOCC1 |r|
O=C(CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)CC1 |r|
CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)CC1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1 |r|
CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
CC(C)c1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1 |r|
CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccccc4O)ccn3c2c(=O)n(C)c1=O
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCN1CCN(CC1)c1ccccc1O
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCCN1CCN(CC1)c1ccccc1O
Cn1c2nc3n(CCCCN4CCN(CC4)c4ccccc4O)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccccc4O)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccc(Cl)cc4)ccn3c2c(=O)n(C)c1=O
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCN1CCN(CC1)c1ccc(Cl)cc1
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCCN1CCN(CC1)c1ccc(Cl)cc1
Cn1c2nc3n(CCCCN4CCN(CC4)c4ccc(Cl)cc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccc(Cl)cc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCN1CCN(CC1)c1cccc(C)c1C
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccccc4O)c(=O)ccn3c2c(=O)n(C)c1=O
Cn1c2nc3n(CCCCN4CCN(CC4)c4ccc(Cl)cc4)c(=O)ccn3c2c(=O)n(C)c1=O
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccc(Cl)cc4)c(=O)ccn3c2c(=O)n(C)c1=O
Cn1c2nc3n(CCCCN4CCN(CC4)c4ccccc4O)ccn3c2c(=O)n(C)c1=O
[H][C@@]12Cc3cc(OCc4ccc(Br)cc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCc4ccccc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCC=C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC4CCCCC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCC4CC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCF)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |r|
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Clc1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCCCC3c3ccccc3)C2=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCCCC3c3ccccc3)C2=O)CC1
O=C1NC2(CCCCC2c2ccccc2)C(=O)N1CCCCN1CCN(CC1)c1ccccc1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCC(CC3)c3ccccc3)C2=O)CC1 |(13.77,-9.92,;12.77,-9.21,;12.88,-7.98,;13.89,-8.69,;11.37,-9.85,;11.23,-11.39,;9.83,-12.03,;8.57,-11.14,;8.71,-9.61,;10.11,-8.96,;7.46,-8.72,;6.06,-9.36,;4.8,-8.47,;4.94,-6.94,;3.69,-6.04,;3.84,-4.51,;2.58,-3.61,;2.73,-2.08,;1.47,-1.19,;.02,-1.68,;-.35,-2.86,;-.88,-.44,;.02,.8,;1.44,1.44,;1.61,2.97,;.33,3.9,;-1.05,3.27,;-1.21,1.7,;.48,5.44,;-.76,6.34,;-.6,7.88,;.81,8.5,;2.05,7.59,;1.89,6.06,;1.47,.33,;2.47,1.05,;6.34,-6.29,;7.6,-7.18,)|
Clc1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCC(CC3)c3ccccc3)C2=O)CC1 |(12.49,-9.34,;11.37,-9.85,;11.23,-11.39,;9.83,-12.03,;8.57,-11.14,;8.71,-9.61,;10.11,-8.96,;7.46,-8.72,;6.06,-9.36,;4.8,-8.47,;4.94,-6.94,;3.69,-6.04,;3.84,-4.51,;2.58,-3.61,;2.73,-2.08,;1.47,-1.19,;.02,-1.68,;-.35,-2.86,;-.88,-.44,;.02,.8,;1.44,1.44,;1.61,2.97,;.33,3.9,;-1.05,3.27,;-1.21,1.7,;.48,5.44,;-.76,6.34,;-.6,7.88,;.81,8.5,;2.05,7.59,;1.89,6.06,;1.47,.33,;2.47,1.05,;6.34,-6.29,;7.6,-7.18,)|
COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCC(CC3)c3ccccc3)C2=O)CC1 |(7.06,-13.02,;7.17,-11.79,;8.57,-11.14,;9.83,-12.03,;11.23,-11.39,;11.37,-9.85,;10.11,-8.96,;8.71,-9.61,;7.46,-8.72,;6.06,-9.36,;4.8,-8.47,;4.94,-6.94,;3.69,-6.04,;3.84,-4.51,;2.58,-3.61,;2.73,-2.08,;1.47,-1.19,;.02,-1.68,;-.35,-2.86,;-.88,-.44,;.02,.8,;1.44,1.44,;1.61,2.97,;.33,3.9,;-1.05,3.27,;-1.21,1.7,;.48,5.44,;-.76,6.34,;-.6,7.88,;.81,8.5,;2.05,7.59,;1.89,6.06,;1.47,.33,;2.47,1.05,;6.34,-6.29,;7.6,-7.18,)|
O=C1NC2(CCC(CC2)c2ccccc2)C(=O)N1CCCCN1CCN(CC1)c1ccccc1 |(-.35,-2.86,;.02,-1.68,;-.88,-.44,;.02,.8,;1.44,1.44,;1.61,2.97,;.33,3.9,;-1.05,3.27,;-1.21,1.7,;.48,5.44,;-.76,6.34,;-.6,7.88,;.81,8.5,;2.05,7.59,;1.89,6.06,;1.47,.33,;2.47,1.05,;1.47,-1.19,;2.73,-2.08,;2.58,-3.61,;3.84,-4.51,;3.69,-6.04,;4.94,-6.94,;4.8,-8.47,;6.06,-9.36,;7.46,-8.72,;7.6,-7.18,;6.34,-6.29,;8.71,-9.61,;8.57,-11.14,;9.83,-12.03,;11.23,-11.39,;11.37,-9.85,;10.11,-8.96,)|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
Clc1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
O=C1NC2(CCCc3ccccc23)C(=O)N1CCCCN1CCN(CC1)c1ccccc1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1
Clc1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1
O=C1NC2(CCc3ccccc23)C(=O)N1CCCCN1CCN(CC1)c1ccccc1
Cc1c(c2cc(ccc2[nH]1)Cl)CCN(C)C
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(Cc3nc4ccccc4o3)cc2)CC1
CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1ccccc1
CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1cccc(F)c1
CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1cnn(C)c1
CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccccc1
CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cccc(F)c1
CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccc(F)cc1
CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cnn(C)c1
CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1
CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1
CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1
CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cccc(F)c1
CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cnn(C)c1
CC(C)(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1
Cn1cc(cn1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2C(C)(C)C)CC1
Fc1ccc(cc1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
Cn1cc(cn1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
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
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Fc1ccc(cc1)S(=O)(=O)N1CC2CC1CN2CCOc1ccccc1-c1ccccc1 |THB:7:10:13:16.15,17:16:10.11:13|
Clc1cccc(c1)S(=O)(=O)N1CC2CC1CN2CCOc1ccccc1-c1ccccc1 |THB:7:10:13:16.15,17:16:10.11:13|
CC(C)c1ccccc1OCCN1CC2CC1CN2S(=O)(=O)c1ccc(F)cc1 |TLB:19:18:15:12.13,11:12:18.17:15|
CC(C)c1ccccc1OCCN1CC2CC1CN2S(=O)(=O)c1cccc(Cl)c1 |TLB:19:18:15:12.13,11:12:18.17:15|
O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccnc1
Nc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1
Cn1cc(cn1)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
Fc1ccc(cc1F)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
Fc1ccc(cc1)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
Fc1cccc(c1)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
Clc1cccc(c1)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cnn(C)c2)c1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cc(F)ccc2F)c1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2ccc(F)c(F)c2)c1
CC(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1cccnc1
CC(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(N)cc1
Clc1cccc(NC(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)c1
CC(C)c1ccccc1OCCN1CCC(CC1)NC(=O)Nc1ccc(F)cc1
CC(C)c1ccccc1OCCN1CCC(CC1)NC(=O)Nc1cccc(Cl)c1
Clc1cccc(c1)C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1
CC(C)c1ccccc1OCCN1CCC(CC1)NC(=O)c1ccc(F)cc1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2ccc(F)cc2)c1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cccc(F)c2)c1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cccc(Cl)c2)c1
Cn1cc(cn1)S(=O)(=O)NC1CN(CCOc2ccccc2-c2ccccc2)C1
Clc1cccc(c1)S(=O)(=O)NC1CN(CCOc2ccccc2-c2ccccc2)C1
CC(C)c1ccccc1OCCN1CC(C1)NS(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCCN1CC(C1)NS(=O)(=O)c1cccc(F)c1
Fc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2C2CCCC2)CC1
Fc1cccc(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2C2CCCC2)CC1
Clc1cccc(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2C2CCCC2)CC1
Cn1cc(cn1)S(=O)(=O)NC1CCN(CCOc2ccccc2C(C)(C)C)CC1
CC(C)(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
CC(C)(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1cccc(Cl)c1
CC(C)c1cccc(C(C)C)c1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
CC(C)Oc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
COc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
Cc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
Fc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
CCCCN(C)CCCCC(=O)n1c2ccccc2c2ccccc12
CCCCN(C)CCCCCC(=O)n1c2ccccc2c2ccccc12
CC1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
CN1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
CC(=O)N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
CN(CCCCC(=O)n1c2ccccc2c2ccccc12)Cc1ccccc1
CN(CCCCCC(=O)n1c2ccccc2c2ccccc12)Cc1ccccc1
O=C(CCCCN1CCCC1)n1c2ccccc2c2ccccc12
O=C(CCCCCN1CCCC1)n1c2ccccc2c2ccccc12
CC(=O)N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
CC1CCCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)C1
CC1CC(C)CN(CCCCC(=O)n2c3ccccc3c3ccccc23)C1
CC1CC(C)CN(CCCCCC(=O)n2c3ccccc3c3ccccc23)C1
O=C(CCCCN1CCC(CC1)c1ccccc1)n1c2ccccc2c2ccccc12
CC1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
Oc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
CC1CCCN(CCCCC(=O)n2c3ccccc3c3ccccc23)C1
Oc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
O=C(CCCCCN1CCC(CC1)c1ccccc1)n1c2ccccc2c2ccccc12
O=C(CCCCN1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc12
O=C(CCCCCN1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc12
O=C(CCCCN1CCN(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc12
O=C(CCCCN1CCCCCC1)n1c2ccccc2c2ccccc12
O=C(CCCCCN1CCN(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc12
O=C(CCCCCN1CCCCCC1)n1c2ccccc2c2ccccc12
O=C(CCCCCN1CCOCC1)n1c2ccccc2c2ccccc12
CC1(C)NC(Nc2cccc(Br)c2)=NC(N)=N1 |c:13,16|
CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
CCOC(=O)c1cccc(NC2=NC(=NC3(CCCCC3)N2)N(C)C)c1 |c:13,t:11|
NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1|
CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
NCC1CC1c1cc(F)c(F)cc1OCC=C
Cc1ccc(cc1C)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2F)C1=O)c1ccc(F)cc1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2)C1=O)c1ccc(F)cc1
Cc1ccc(C)c(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)C1=O)c1ccc(F)cc1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(F)cc1
CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C1=O)c1ccc(F)cc1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C1=O)c1ccc(F)cc1
COc1cccc(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C1=O)c1ccc(F)cc1
O=C1N(CCCCN2CCC3CCCCC3C2)C(=O)c2ccccc12
C(CCc1c[nH]c2ccccc12)CN1CCc2ccccc2C1
O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12
Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Fc1ccc2CC(CCN3CCc4ccccc4C3)Cc2c1
Fc1ccc(CCCCN2CCc3ccccc3C2)cc1
Fc1ccc(OCCCN2CCc3ccccc3C2)cc1
Fc1ccc(SCCCN2CCc3ccccc3C2)cc1
[O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
O=C(CCCN1CCc2ccccc2C1)c1ccccc1
O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N
NC(=O)c1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3o2)CC1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Clc1ccc2n(C3CCN(CCCCc4nc5ccccc5s4)CC3)c(=O)[nH]c2c1
Clc1ccc2n(C3CCN(CCCCc4nc5ccccc5o4)CC3)c(=O)[nH]c2c1
Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1
Fc1ccc(cc1)C(N1CCN(CCCCc2nc3ccccc3s2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(N1CCN(CCCCC(=O)c2nc3ccccc3s2)CC1)c1ccc(F)cc1
OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)N[C@H](C)c2ccccc2)CC1 |r|
CN(C)Cc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OCCCN3CCOCC3)cc2)CC1
O=C(CCOCCN1CCN(CC1)c1cccnc1-c1ccccc1)NCc1ccc(cc1)C#N
C[C@H](NC(=O)CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)c1ccccc1 |r|
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(OCCCN2CCOCC2)cc1
Fc1ccc(cc1)-c1ncccc1N1CCN(CCOCCC(=O)NCc2ccc(cc2)C(F)(F)F)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
Fc1ccc(N2CCN(CCCCCC(=O)NCc3ccc(cc3)C#N)CC2)c(c1)-c1ccc(cc1)C#N
COCOc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccc(OC)cc2)cc1
Fc1ccc(cc1)-c1cccnc1N1CCN(CCOCCC(=O)NCc2ccc(cc2)C(F)(F)F)CC1
FC(F)(F)c1ccc(CNC(=O)CCOCCN2CCN(CC2)c2cccnc2-c2ccccc2)cc1
FC(F)(F)c1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ncccc2-c2ccccc2)cc1
O=C(CCOCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccncc1
FC(F)(F)c1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
C[C@H]1CN(CCN1CCCCCC(=O)NCc1ccccc1)c1ccccc1-c1ccccc1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)N[C@H](C)c2ccc(cc2)C#N)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)N[C@@H](C)c2ccc(cc2)C#N)CC1 |r|
COc1ccc(cc1)-c1cc(F)ccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(OCCN2CCOCC2)cc1
COCOc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OCCO)cc2)CC1
C[C@@H]1CN(CCN1CCCCCC(=O)NCc1ccccc1)c1ccccc1-c1ccccc1 |r|
C[C@@H](NC(=O)CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)c1ccccc1 |r|
Fc1ccc(cc1)-c1cccnc1N1CCN(CCOCCC(=O)NCc2ccc(cc2)C#N)CC1
O=C(CCOCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
OCCOc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OCCN3CCOCC3)cc2)CC1
Fc1ccc(cc1)-c1ncccc1N1CCN(CCOCCC(=O)NCc2ccc(cc2)C#N)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)N[C@@H](C)c2ccccc2)CC1 |r|
O=C(CCOCCN1CCN(CC1)c1ncccc1-c1ccccc1)NCc1ccc(cc1)C#N
Fc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
Clc1ccc2sc(CCCCN3CCc4c(Cl)cccc4C3)nc2c1
Clc1ccc(cc1)C(=O)CCCN1CCCc2ccccc2C1
Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
COc1cc2CCN(CCCCc3nc4cc(Cl)ccc4s3)Cc2cc1OC
O=C1C(CCN2CCc3ccccc3C2)Cc2ccccc12
C(CN1CCc2ccccc2C1)Cc1nc2ccccc2[nH]1
C(CC1=Cc2ccccc2CC1)N1CCc2ccccc2C1 |t:2|
Clc1ccc(cc1)-[#6](=[#6][#6]-[#6]-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)c1ccc(Cl)cc1
CC1(C)CC(=O)N(CCCCN2Cc3ccccc3C2)C(=O)C1
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2CC1
C(CC1=Cc2ccccc2C1)N1CCc2ccccc2C1 |t:2|
O=C(CCCN1CCc2ccccc2C1)c1ccc2NC(=O)Cc2c1
Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
CNCc1ccc(OC)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1C
COc1ccccc1N1CCN(Cc2ccc(Cl)c(c2)-c2ccccc2OC)CC1
CNCc1ccc(C)c(c1)-c1ccccc1OC
COc1ccccc1N1CCN(Cc2cccc(c2)-c2ccccc2OC)CC1
COc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1OC
COc1ccccc1-c1cccc(CN(C)C)c1
COc1ccccc1N1CCN(Cc2ccc(OC)c(c2)-c2ccccc2OC)CC1
COc1ccccc1N1CCN(Cc2cc3OCOc3c(c2)-c2ccccc2OC)CC1
COc1ccccc1N1CCN(Cc2ccc(C)c(c2)-c2ccccc2OC)CC1
CNCc1cc2OCOc2c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CN(C)C)ccc1OC
COc1ccccc1-c1cc(CN(C)C)ccc1C
CNCc1cccc(c1)-c1ccccc1OC
COc1ccccc1-c1cccc(CN2CCC(C)CC2)c1
COc1ccccc1-c1cc(CN2CCC(C)CC2)cc2OCOc12
COc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1Cl
COc1ccccc1-c1cc(CN(C)C)cc2OCOc12
CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
CCOc1ccccc1N1CCN(CCCCCn2c(C)nc3ccccc3c2=O)CC1
Clc1cccc(c1)N1CCN(CCCCCOc2cc(ncn2)-c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCCCCOc2cc(ncn2)-c2ccccc2)CC1
Cc1nc(OCCCCCN2CCN(CC2)c2ccccc2)c2ccccc2n1
Cc1nc2ccccc2c(=O)n1CCCCCN1CCN(CC1)c1cccc(Cl)c1
Cc1nc(OCCCCCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2n1
Cc1nc2ccccc2c(=O)n1CCCCCN1CCN(CC1)c1ccccc1
CCOc1ccccc1N1CCN(CCCCCOc2cc(ncn2)-c2ccccc2)CC1
C(CCOc1cc(ncn1)-c1ccccc1)CCN1CCN(Cc2ccccc2)CC1
Clc1cccc(c1)N1CCN(CCCCCn2cnc(cc2=O)-c2ccccc2)CC1
CCOc1ccccc1N1CCN(CCCCCn2cnc(cc2=O)-c2ccccc2)CC1
C(CCOc1cc(ncn1)-c1ccccc1)CCN1CCN(CC1)c1ccccc1
Cc1nc2ccccc2c(=O)n1CCCCCN1CCN(CC1)c1ccc(Cl)cc1
Clc1ccc(cc1)N1CCN(CCCCCn2cnc(cc2=O)-c2ccccc2)CC1
O=c1cc(ncn1CCCCCN1CCN(CC1)c1ccccc1)-c1ccccc1
O=c1cc(ncn1CCCCCN1CCN(Cc2ccccc2)CC1)-c1ccccc1
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1
CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1
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)cc1N1CCN2CCCCC2C1
[H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]c(O)nc3c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]cnc3c2)CC1
Fc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
Oc1nc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3CCNc3c2)CC1
O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1cc2ccccc2[nH]1)c1ccc2cc[nH]c2c1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]nnc3c2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Clc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3oc(O)nc3c2)CC1
O=c1oc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3c[nH]nc3c2)CC1
O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc2cc[nH]c2c1 |r|
Clc1ccc2NC(=O)C3(CCCCN4CCC(=CC4)c4ccccc4)CCCc1c23 |c:16|
Fc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
CC(=O)c1cccc(c1)-c1cccc(NC2=NCCN2)c1C
Cc1c(NC2=NCCN2)cccc1-c1cccc(c1)C(F)(F)F |t:4|
Cc1c(NC2=NCCN2)cccc1-c1ccsc1 |t:4|
CC(C)c1cccc(c1)-c1cccc(NC2=NCCN2)c1C |t:16|
Cc1c(NC2=NCCN2)cccc1-c1cccs1 |t:4|
COc1cccc(c1)-c1cccc(NC2=NCCN2)c1C |t:15|
Cc1cccc(c1)-c1cccc(NC2=NCCN2)c1C |t:14|
Cc1c(NC2=NCCN2)cccc1-c1cccnc1 |t:4|
Cc1c(NC2=NCCN2)cccc1-c1cccc(c1)C#N
Cc1c(NC2=NCCN2)cccc1-c1cccc(Cl)c1 |t:4|
COc1ccc(c(OC)c1)-c1cccc(NC2=NCCN2)c1C |t:17|
Cc1c(NC2=NCCN2)cccc1-c1cccc(F)c1 |t:4|
COc1ccc(cc1)-c1cccc(NC2=NCCN2)c1C |t:15|
Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1ccccc1
OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1ccccc1
CCN(CC)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1ccccc1
CN(C)CC1=CC2=CN(C3=CC=CC(O1)C23)S(=O)(=O)c1ccccc1 |c:11,t:4,6,9|
O=Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
O=S(=O)(c1cccc2ccccc12)n1cc2cc(oc3cccc1c23)C#N
OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12