3221 SMILES Strings for D(4) dopamine receptor

Compound Name
SMILES String
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
CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O |r|
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
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
CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1
CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1
CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
c1ccc2c(c1)cccc2NC(=O)c3ccccc3C(=O)O
CCCN1CCCC(C1)c1cccc(O)c1
CN1C[C@H](CC2[C@H]1Cc1c(Cl)[nH]c3cccc2c13)NC(=O)C(C)(C)C
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
CCCN(CCC)C1C=Cc2c(OC)cccc2C1C |c:8|
OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
OCC(CN1Cc2cccc(F)c2C1)N1CCC(CC1)c1noc2cc(F)ccc12
OCC(CN1Cc2ccc(Cl)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
OCC(CN1Cc2cc(Cl)c(Cl)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
Cc1ccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Cc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12
OCC(CN1Cc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1noc2cc(F)ccc12
COc1ccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
COc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12
OCC(CN1C(=O)c2ccccc2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12
OCC(CN1C(=O)c2ccc(cc2C1=O)C(F)(F)F)N1CCC(CC1)c1noc2cc(F)ccc12
OCC(CN1Cc2ccccc2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12
OCC(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12 |r|
OCC(CN1C(=C)[C@@H]2CCCC[C@@H]2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12 |r|
OCC(CN1CCc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
NC1CCc2cc(O)c(O)cc2C1
CN(C)[C@H]1CCc2c1cccc2O |r|
CN(C)[C@@H]1CCc2c1cccc2O |r|
CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r|
CCCN1CCc2cccc-3c2[C@@H]1Cc1cccc(O)c-31 |r|
CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
CCCN1CCOC2[C@@H]1CCc1ccc(O)cc21 |r|
CCCN1CCC[C@H]2Cc3[nH]ncc3C[C@H]12 |r|
CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C(=O)NC1CCCCC1
CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12 |t:8|
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
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|
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
CN(C)CCC=C1c2ccccc2C=Nc2ccc(Cl)cc12 |w:5.4,c:14|
CN1CCN(CC1)C1=Nc2cscc2C(=CC#N)c2cscc12 |w:15.17,t:8|
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r|
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8|
CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
c1cc(c(cc1CCN)O)O
CCCN(CCC)C1CCc2cc(O)c(O)cc2C1
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
NC(Cc1ccc(O)c(O)c1)C(O)=O
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
CCCN(CCC)CCc1cccc2NC(=O)Cc12
CCCN(CCC)C1CCc2ccc(O)cc2C1
CCCN(CCC)C1CCc2cccc(O)c2C1
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
CN(C)CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12
c1ccc2c(c1)NC(=O)N2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F
OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Oc2ccccc12 |t:8|
Cc1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1
Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1 |c:12,t:5|
O=C1C2CCCCC2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)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
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2ccccc12
OC1(CCN(CC1)C(F)CCC(=O)c1ccccc1)c1cccc(c1)C(F)(F)F
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
CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|
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
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
CCCNC1CCc2nc(N)sc2C1
Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
Nc1nc2CCN(CC=C)CCc2s1
C[NH+](C)C1CCc2cc(O)c(O)cc2C1
CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
Oc1cc2CCC3NCc4ccccc4C3c2cc1O
Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Cc1ccc2Cc3c(O)c(O)ccc3[C@@H]3CNCc1c23
Cc1ccc2Cc3c(O)c(O)ccc3[C@@H]3CN(CC=C)Cc1c23
CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3ccc(C)c(C1)c23
Cc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23
Oc1ccc2[C@@H]3CN(CC=C)Cc4cccc(Cc2c1O)c34
CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23
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
CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(N)=O
CCCC1CC2=C(OCC=N2)[C@]2(NC(=O)CC(O)=O)C=CCCC12 |r,c:9,20,t:5|
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1
CC(C)(C)C1(O)CCN2CC3c4ccccc4CCc4cccc(C2C1)c34
CCN(CC)CCCN1c2ccccc2Sc2ccc(Cl)cc12
OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8|
Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
CCN(CC)CCNC(=O)c1cc(ccc1OC)S(C)(=O)=O
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
C(CN1CCO[C@@H](COc2ccccn2)C1)N1CCc2ccccc12 |r|
Cc1ccnc(OC[C@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
O=C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12 |r|
C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12 |r|
C(CN1CCO[C@@H](COc2cccnc2)C1)N1CCc2ccccc12 |r|
O=C(CN1CCO[C@H](COc2cccnc2)C1)N1CCc2ccccc12 |r|
Clc1cccc(OC[C@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
Clc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
Clc1cccc(OC[C@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
COc1cccc(OC[C@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Cc1ncccc1OC[C@@H]1CN(CCN2CCc3ccccc23)CCO1 |r|
Clc1cncc(OC[C@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Clc1cncc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Cc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)cn1 |r|
Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc23)CCO1 |r|
Fc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)cc1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccc(Cl)c2)C1 |r|
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCCOC2)CC1
Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1
COCC(C)(C)C(=O)NCCN1CCC(CC1)c1cccc(C)n1
COCC(C)(C)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F
COCC1(CC1)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
CC(C)(C)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F
Cc1cccc(n1)C1CCN(CCNC(=O)C(C)(C)C)CC1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11|
Cc1cccc(n1)C1=CCN(CCNC(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1 |r,t:8|
Cc1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:8|
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCOC2)CC1
FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11|
COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(C)n1 |c:14|
COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14|
FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCOCC2)CC1 |t:11|
Cc1cccc(n1)C1=CCN(CCNC(=O)C2CCCCO2)CC1 |t:8|
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1 |r|
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCOC2)CC1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOC2)CC1
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1
CO[C@H]1CC[C@@H](CC1)C(=O)NCCN1CCC(CC1)c1cccc(C)n1 |r,wU:2.1,wD:5.8,(-9.07,5.37,;-9.34,3.85,;-8,3.08,;-6.67,3.85,;-5.33,3.08,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-4,.77,;-4,-.77,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;8.05,-1.51,;9.38,-.74,;6.67,-.77,)|
CO[C@H]1CC[C@@H](CC1)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F |r,wU:2.1,wD:5.8,(-9.74,5.37,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;2,1.54,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.38,-1.51,;6,-.77,;8.72,-.74,;10.05,.03,;7.95,.59,;9.49,-2.08,)|
FC(F)(F)Oc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
Cc1cccc(n1)C1=CCN(CCNC(=O)C2CCOCC2)CC1 |t:8|
Cc1cccc(n1)C1=CCN(CCNC(=O)C(C)(C)C)CC1 |t:8|
CC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:12|
Fc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
COc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
FC(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
O=C(NCCN1CCC(CC1)c1cccc(n1)C#N)C1CCOCC1
Nc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
CNc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
CN(C)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
COCCC1(CC1)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCCO2)CC1
CCc1cccc(N2CCN(CCCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CCc1cccc(N2CCN(CCC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CCc1cccc(N2CCN(CCCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
CCc1cccc(N2CCN(CCC(O)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
CCc1cccc(N2CCN(CCCCCNC(=O)c3cn4ccccc4n3)CC2)c1Cl
CCc1cccc(N2CCN(CCC(O)CCNC(=O)c3cn4ccccc4n3)CC2)c1Cl
CCc1cccc(N2CCN(CCCCCNC(=O)c3nc4sccn4c3C)CC2)c1Cl
CCc1c[nH]c(n1)C(=O)NCCCCCN1CCN(CC1)c1cccc(CC)c1Cl
CCc1cccc(N2CCN(CCCCCNC(=O)c3nc(C)c[nH]3)CC2)c1Cl
CCc1cccc(N2CCN(CCC(O)CCNC(=O)c3nc(C)c[nH]3)CC2)c1Cl
CCc1cc(Cl)c(OC)c(c1)N1CCN(CCCCCNC(=O)c2cc3ccccc3[nH]2)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCN(CCC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCN(CCCCCNC(=O)c2cc3ccccc3o2)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCN(CCC(O)CCNC(=O)c2cc3ccccc3o2)CC1
CCc1cccc(N2CCN(C\C=C\CCNC(=O)C3N=CC(C)=N3)CC2)c1Cl |c:20,23|
CCc1ccc(OC)c(c1)N1CCN(CCCC(O)CNC(=O)c2cc3ccccc3[nH]2)CC1
CN(C)CCc1c[nH]c2c1c(ccc2)O
COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F
C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ccccn1
Cc1ccc(nc1)N1CCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc(nc1)N1CCN(CCCCc2nc3ccccc3s2)CC1
C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1
OCc1cccnc1N1CCN(CCCc2nc3ccccc3s2)CC1
COc1ccc(nc1)C1CCN(CCCc2nc3ccccc3s2)CC1
Cc1cccnc1C1CCN(CCCc2nc3ccccc3s2)CC1
Cc1cccc2nc(CCCN3CCC(c4ccccn4)CC3)sc12
Cc1ccc2nc(CCCN3CCC(CC3)c3ccccn3)sc2c1
CCc1ccnc(C2CCN(CCCc3nc4ccccc4s3)CC2)c1
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC
COc1cc(CC(C)N)c(OC)cc1Br
CC(N)Cc1ccc2OCOc2c1
CNC(C)Cc1ccc2c(c1)OCO2
COc1cc(cc(c1OC)OC)CCN
COc1cc(CCN)c(OC)cc1Br
CN(C)CCc1c[nH]c2c1cccc2
CN(C)CCc1c[nH]c2c1cc(cc2)OC
CCc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CC(C)N)cc1OC
CCOc1cc(OC)c(CC(C)N)cc1OC
COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
CC(C)N(CCc1c[nH]c2ccccc12)C(C)C
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
CCCN(CCC)CCc1c[nH]c2ccccc12
CCSc1cc(OC)c(CC(N)CC)cc1OC
CN(C)CCc1c[nH]c2cc(F)ccc12
CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
NCCc1c2CCOc2c(Br)c2CCOc12
COc1cc(CC(C)N)c(OC)cc1C
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(OC)c(OC)cc1CC(C)N
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
C[C@@H]1C[C@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
C(CNC1=Nc2ccccc2OC1)CN1CCN(CC1)c1ccccc1 |t:3|
C(CCNC1=Nc2ccccc2OC1)CCN1CCN(CC1)c1ncccn1 |t:4|
Oc1ccc2NCCc2c1
OC[C@H]1O[C@H](Oc2ccc(CC3NCCc4cc(O)c(O)cc34)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
Fc1cccc(c1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ncccn2)c1
C(N1CCN(CC1)c1ncccn1)c1cccc(c1)-c1ccsc1
C(Oc1ccccc1)[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
C(Cc1c[nH]c2ncccc12)N1CCC(=CC1)c1ccccc1 |c:16|
C(Cc1c[nH]c2ncccc12)N1CCC(\C=C\c2ccccc2)=CC1 |c:25|
COc1ccc(Br)cc1-c1nc(CNCC2CCN(Cc3ccccc3)C2)co1
COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)C2)co1
COc1ccc(Br)cc1-c1nc(CNCCC2CCN(Cc3ccccc3)C2)co1
COc1ccc(Br)cc1-c1nc(CNCC2CCN(Cc3ccccc3)C2)cs1
C(NCc1csc(n1)-c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1
C([C@H]1COC(=N1)c1ccccc1)N1CCN(CC1)c1ccccc1 |c:4|
COc1ccc(Br)cc1C1=N[C@@H](CN2CCN(CC2)c2ccccc2)[C@@H](C)O1 |t:10|
C([C@H]1CNC(=N1)c1ccccc1)N1CCN(CC1)c1ccccc1 |c:4|
C([C@H]1CSC(=N1)c1ccccc1)N1CCN(CC1)c1ccccc1 |c:4|
Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
CCCN[C@H]1CCc2c(sc(n2)N)C1
CCCN1CCC[C@H](C1)c1cccc(O)c1
CCCN1CCc2nn3ccccc3c2C1
CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)C#N)CC1
CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C
CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C
COc1c(cc(I)c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
COc1c(cc(C#C)c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1
COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C
COc1c(cc(C#Cc2ccccc2)c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1
COc1c(cc(Br)c2ccccc12)C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1
C([C@H]1CCNC(=N1)c1ccccc1)N1CCN(CC1)c1ccccc1 |c:5|
[#6]-[#7]-1-[#6]-[#6]-[#6](=[#6]-[#6]-1)-[#6]-1=[#6]-c2ccccc2\[#6](=[#6](\[#6])-[#6])-c2ccccc-12 |c:4,t:8|
C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C
CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
CCCN(CCC)[C@H]1CCc2ccc(O)cc2C1 |r|
CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Cc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
O=C(NCN1CCN(CC1)c1ccccc1C#N)c1ccccc1
COc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1
COc1ccccc1N1CCN(CNC(=O)c2cccc(Cl)c2)CC1
Cc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1
Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
Clc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
COc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1
Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
COc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
CC1(CCN(Cc2ccccc2)CC1)C(=O)\C=C(/O)c1ccc(Cl)cc1
O\C(=C/C(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
CCCN1CCCC(C1)c1cccc(c1)C#N
CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8|
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12 |t:8|
CN1CCN(CC1)C2=Nc3ccccc3Nc4c2cccc4
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-c2cc(Cl)ccc2\[#6](=[#6](/[#6])-[#6])-c2ccccc-12 |t:8|
CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
CN1CCC(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
CC1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc12 |t:9,11|
CC1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-c2ccccc2\[#6](=[#6](\[#6])-[#6])-c2ccccc-12 |t:8|
C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:10|
CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Oc2ccccc12 |t:8|
CN1CCN(CC1)C1=Cc2ccccc2Cc2ccc(Cl)cc12 |t:8|
C[C@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc12 |t:9,11|
CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:9|
C[C@@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc12 |t:9,11|
CN1CCC(=CC1)C1=Cc2ccccc2C(=C)c2ccccc12 |c:4,t:8|
CN1CCN(CC1)C1=Cc2ccccc2C(=C)c2ccccc12 |t:8|
O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1ccccc1
CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
CCCN1CCC[C@H](C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
CCCN1CCC[C@@H](C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
Cc1cccc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1
Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1ccccn1
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1
Cc1cc(F)ccc1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
Oc1ccc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1
Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8|
Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8|
Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
C(N1CCCCC1)c1c[nH]c2ccccc12
C(N1CCN(CC1)c1ccccc1)c1c[nH]c2ccccc12
C(N1CCC(CC1)c1ccccc1)c1c[nH]c2ccccc12
CC1CCN(CC1)Cc2c[nH]c3c2cccc3
Ic1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Clc1ccc(CN2CCC(CC2)c2cc(on2)-c2ccc(Cl)cc2)cc1
Cc1c(onc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCc2ccccc2)CC1
Clc1ccc(CN2CCC(CC2)c2cc(n[nH]2)-c2ccc(Cl)cc2)cc1
Cc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
Clc1ccc(CN2CCC(CC2)c2cc(no2)-c2ccc(Cl)cc2)cc1
Cc1c(noc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1
COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(C)cc12 |t:8|
COc1cc2CCOC(CCN3CCN(CC3)c3ccc(F)cc3)c2cc1OC
COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
c1ccc2c(c1)CCO[C@H]2CCN3CCN(CC3)c4ccc(cc4)S(=O)(=O)N
[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3CCCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r|
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1CCCCCC1
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1C2CC3CC(C2)CC1C3 |wU:18.19,TLB:29:24:32:28.30.27,29:28:23.24.25:32,THB:21:23:32:28.30.27,27:28:23:26.25.32,27:26:23:28.30.29,(5.91,-4.27,;5.93,-2.73,;4.6,-1.96,;3.25,-2.73,;1.92,-1.96,;.59,-2.73,;-.74,-1.96,;-.74,-.4,;-2.08,-2.73,;-3.62,-2.73,;-2.85,-4.06,;1.92,-.4,;.59,.35,;3.25,.37,;4.6,-.4,;5.93,.37,;5.93,1.91,;7.23,-.4,;8.34,.69,;8.34,2.23,;11,2.24,;11.07,.74,;9.68,-.08,;12.42,,;13.77,.48,;12.72,-.75,;12.72,-2.34,;14.14,-2.9,;15.15,-1.62,;15.15,-.1,;13.75,-1.97,;12.42,-1.48,;11.23,-2.76,)|
COc1cc(NC(=O)C=C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
COc1cc(NC(=O)C2CCCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCCCC2)C1
COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
CCC(=O)Nc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)C1
CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2 |THB:17:19:26.27.25:22.21.23|
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCNC1
COc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1CCCCC1
COc1cc(NC(=O)C2CCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
COc1cc(NC(=O)C2CCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CCc2ccccc2)C1
C(CN1CCC(=CC1)c1ccccc1)C#Cc1ccncc1 |c:5|
Nc1ccc(cn1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
Nc1ccc(nc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,(13.38,-6.36,;14.69,-7.13,;16.04,-6.36,;17.37,-7.13,;18.7,-6.36,;18.68,-4.79,;17.33,-4.05,;16.01,-4.82,;20.02,-4.02,;21.34,-4.79,;22.68,-4.02,;22.66,-2.48,;21.33,-1.71,;19.99,-2.48,;12.03,-7.1,;10.72,-6.33,;9.37,-7.1,;9.38,-8.64,;10.72,-9.41,;12.03,-8.64,;8.1,-9.47,;8.02,-11.01,;6.54,-11.43,;5.68,-10.15,;4.15,-9.92,;3.59,-8.48,;4.59,-7.29,;6.1,-7.52,;6.64,-8.96,)|
Cc1nc([nH]c1CN1CCN(CC1)c1ncccn1)-c1ccccc1
C(N1CCN(CC1)c1cccnc1)c1cnc([nH]1)-c1ccccc1
C(N1CCN(CC1)c1ccncc1)c1cnc([nH]1)-c1ccccc1
C(N1CCN(CC1)c1ccccc1)c1cnc([nH]1)-c1ccccc1
C(N1CCN(CC1)c1cnccn1)c1cnc([nH]1)-c1ccccc1
C(N1CCN(CC1)c1ccccn1)c1cnc([nH]1)-c1ccccc1
C(N1CCN(CC1)c1ccncn1)c1cnc([nH]1)-c1ccccc1
Clc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
CC1(CCN(Cc2ccccc2)CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1
C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)-c1ccccn1
C(Cc1ccccc1)N1CCN(CC1)c1cc(n[nH]1)-c1ccccc1
C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)-c1cccs1
CCc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
Clc1ccc(cc1)-c1cc([nH]n1)C1CCCCN1Cc1ccccc1
Clc1ccc(cc1)-c1cc([nH]n1)C1CCCN(Cc2ccccc2)C1
Nc1nc(cc(n1)-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)-c1ccncc1
Cc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCCc2ccccc2)CC1
Cc1c(nc(N)nc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)C1CCCCC1
C(N1CCC(CC1)c1cc(n[nH]1)-c1ccccc1)c1ccccc1
Cc1cc([nH]n1)C1CCN(Cc2ccccc2)CC1
Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CC2CCCCC2)CC1
Clc1ccc(cc1)-c1cc([nH]n1)C1CCNCC1
Cc1c(n[nH]c1C1=CCN(CCc2ccccc2)CC1)-c1ccccc1 |t:7|
C(Cc1ccccc1)N1CCC2(CCc3c(n[nH]c23)-c2ccccc2)CC1
Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(Cc2cccc(Cl)c2)CC1
C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)-c1cccnc1
C(N1CCC(CC1)c1cc(Cc2ccccc2)[nH]n1)c1ccccc1
CN1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(Cc2ccccc2Cl)CC1
Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(Cc2ccccc2)C1
Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(Cc2ccccc2)CC1
COc1ccc2c3CCN(Cc4ccc(cc4)[N+]([O-])=O)Cc3c(=O)oc2c1
COc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1
COc1ccc2c3CCN(CCc4ccccc4)Cc3c(=O)oc2c1
COc1ccc2c3CCN(Cc4ccc(Cl)c(Cl)c4)Cc3c(=O)oc2c1
COc1cc2oc(=O)c3CN(Cc4ccc(Cl)cc4)CCc3c2cc1OC
COc1ccc2c3CCN(Cc4ccc(cc4)C(F)(F)F)Cc3c(=O)oc2c1
COc1ccc2c3CCN(Cc4ccc(F)cc4)Cc3c(=O)oc2c1
COc1ccc(CN2CCc3c(C2)c(=O)oc2cc(OC)ccc32)cc1
Cc1cc(O)c2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1
COc1ccc2c3CCN(Cc4cccc(Cl)c4)Cc3c(=O)oc2c1
COc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1
COc1ccc2c3CCN(Cc3c(=O)oc2c1)c1ccccc1
Cc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1
COc1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccccc1
COc1ccc2c3CN(Cc4ccccc4)CCc3c(=O)oc2c1
Oc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1
COc1ccc2c3CCN(Cc4ccncc4)Cc3c(=O)oc2c1
COc1ccc2c3CCN(Cc4ccccc4Cl)Cc3c(=O)oc2c1
Cc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1
COc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1OC
COc1ccc2c3CCN(Cc4ccc(C)cc4)Cc3c(=O)oc2c1
Cc1ccc2c3CCN(Cc4ccc(F)cc4)Cc3c(=O)oc2c1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
[O-][S+](CCCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
Fc1ccc(OCCCN2CCC(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc2C(=O)C(CCN3CCN(CC3)c3ccc(Cl)cc3)Cc2c1
Clc1ccc(cc1)N1CCN(CCC2Cc3ccccc3C2=O)CC1
Fc1ccc2CC(CCN3CCN(CC3)c3ccc(Cl)cc3)Cc2c1
Fc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ccccn2)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
FC(F)(F)c1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
Cc1ccc(nc1)N1CCN(CCCOc2ccc(F)cc2)CC1
Cc1ccc(nc1)N1CCN(CCCSc2ccc(F)cc2)CC1
Cc1ccc(nc1)N1CCN(CCCCc2ccc(F)cc2)CC1
Fc1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ncccn2)cc1
Fc1ccc(CCCCN2CCN(CC2)c2ncccn2)cc1
Clc1ccc(cc1)N1CCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCN(CCCCCc2nc3ccccc3o2)CC1
Clc1ccc(cc1)N1CCN(CCCCc2nc3ccccc3o2)CC1
Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3o2)CC1
Clc1ccc(cc1)N1CCN(CCc2nc3ccccc3o2)CC1
Clc1ccc(cc1)N1CCN(CCc2cc3ccccc3o2)CC1
Clc1ccc(cc1)N1CCN(CCCc2cc3ccccc3o2)CC1
[H][C@@]12CN(c3ccc(Cl)cc3)[C@@]([H])(CN1CCCc1cc3ccccc3o1)C2 |r|
Clc1ccc(cc1)N1CCCN(CCCc2cc3ccccc3o2)CC1
C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1
C(CN1CCN(CC1)c1ncccn1)Cc1nc2ccccc2s1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
Clc1ccc(SCCNCCCOc2ccccc2)cc1
Cc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1
Cc1ccc(OCCNCCCOc2cccc(C)c2)cc1
Cc1ccc(OCCNCCCOc2ccccc2)cc1
Cc1ccc(CCCNCCCOc2ccccc2)cc1
C(CNCCCc1ccccc1)COc1ccccc1
Oc1ccc(OCCNCCCOc2ccccc2)cc1
Clc1ccc(OCCNCCCSc2ccccc2)cc1
Cc1ccc(SCCNCCCOc2ccccc2)cc1
Clc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1
COc1ccc(OCCNCCCOc2ccccc2)cc1
Cc1ccc(OCCNCCCSc2ccccc2)cc1
Cc1ccc(OCCCNCCOc2ccccc2)cc1
C(CNCCOc1ccccc1)COc1ccccc1
Cc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1
Fc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1
Cc1ccc(OCCNCCCOc2ccccc2)cc1Cl
Clc1cccc(OCCNCCCOc2ccccc2)c1
Cc1ccc(OCCNCCCOc2ccc(F)cc2)cc1
[O-][N+](=O)c1ccc(OCCNCCCOc2ccccc2)cc1
Clc1ccc(OCCNCCCOc2ccccc2)cc1
OC(=O)c1ccc(OCCNCCCOc2ccccc2)cc1
Cc1ccc(OCCCNCCOc2ccc(C)cc2)cc1
Cc1cccc(OCCNCCCOc2ccccc2)c1
Clc1ccccc1OCCNCCCOc1ccccc1
Cc1ccccc1OCCNCCCOc1ccccc1
Cc1ccc(OCCNCCCOc2ccccc2C)cc1
Cc1ccc(OCCNCCCOc2ccccc2)cc1C
OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
O[C@@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
F[C@H](CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
F[C@@H](CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
FCC(CCNC(=O)c1cc2ccccc2o1)N1CCN(CC1)c1cccc(Cl)c1Cl
CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1 |r|
COc1ccc(cc1)N1CCN(CCC2OCCc3cc(ccc23)C(N)=O)CC1
Cc1ccc(cc1Cl)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1
Cc1ccc(cc1)N1CCN(Cc2ccc3oc(=O)ccc3c2)CC1
O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1
COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc(c1)C(=O)NCCN1CCN(Cc2ccc(Cl)cc2)CC1
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1
COc1ccc2CCC(Cc2c1)NC(=O)CCN1CCN(CC1)c1ccccc1OC
COc1ccc2CCC(Cc2c1)NC(=O)CN1CCN(CC1)c1ccccc1OC
COc1cccc2CC(CCc12)NC(=O)CCN1CCN(CC1)c1ccccc1OC
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1OC
COc1ccc2CCCC(CCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1cccc(c1)C(=O)CCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCNC(=O)c2ccccc2OC)CC1
COc1cccc(c1)-c1csc(CN2CCN(CC2)c2ccccc2OC)n1
COc1cccc2CC(CCc12)NC(=O)CN1CCN(CC1)c1ccccc1OC
COc1cccc(c1)C(=O)NCCN1CCN(Cc2ccccc2OC)CC1
COc1ccccc1N1CCN(CCNC2=Nc3ccccc3OC2)CC1 |t:16|
COc1cccc(c1)-c1csc(CCN2CCN(CC2)c2ccccc2OC)n1
CCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1
COc1ccc(OC)c(c1)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ccc(Cl)cn2)cc1
Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ccc(F)cc2)cc1
COc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Fc1ccc(OC[C@H]2CC[C@@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
Fc1ccc(OC[C@@H]2CC[C@@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
COC(=O)c1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
C(Oc1ccccc1)C1CCC2CN(CCN2C1)c1ncccn1
Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ccccn1
Fc1ccc(OC[C@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ccccc1
CC(=O)Nc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
CC(C)(C)c1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Oc1ccc2OC[C@H](CNCc3ccccc3)Oc2c1
Oc1ccccc1N1CCN(Cc2ccccc2)CC1
Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
C(COc1ccccc1)NCc1ccccc1
Oc1ccc(cc1)N1CCN(Cc2ccccc2)CC1
Oc1cccc(OCCNCc2ccccc2)c1
Nc1cc(OCCNCc2ccccc2)ccc1Cl
Oc1ccc(OCCNCc2ccccc2)cc1
Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
CS(=O)(=O)Nc1cc(OCCNCc2cccs2)ccc1Cl
Oc1ccccc1OCCNCc1ccccc1
CS(=O)(=O)Nc1cccc(OCCNCc2ccccc2)c1
CS(=O)(=O)Nc1cc(OCCNCc2cccs2)ccc1F
C(N1CCN(CC1)c1ccccc1)c1ccccc1
COc1ccc(cc1)N1CCN(CCC2N(C)C(=O)c3ccccc23)CC1
COc1ccc(cc1)N1CCN(CCC2NC(=O)c3ccccc23)CC1
O=C1NC(CCN2CCN(CC2)c2ccc3ccccc3c2)c2ccccc12
O=C1NC(CCN2CCN(CC2)c2ccccc2)c2ccccc12
Cc1ccnc(c1)N1CCN(CCC2NC(=O)c3ccccc23)CC1
Cc1ccc(cc1C)N2CCN(CC2)CC[C@H]3c4ccccc4C(=O)N3
Cc1ccc(cc1C)N1CCN(CCC2NC(=O)c3ccccc23)CC1
Cc1nc(sc1C)N1CCN(CCC2NC(=O)c3ccccc23)CC1
Cc1ccc(cc1)N1CCN(CCC2NC(=O)c3ccccc23)CC1
Clc1ccc(cc1)N1CCN(CCC2NC(=O)c3ccccc23)CC1
Cc1ccc(cc1C)N1CCN(CC[C@H]2NC(=O)c3ccccc23)CC1
OCc1ccc(cc1Cl)N1CCN(CCC(O)c2ccc(Cl)cc2)CC1
OCc1ccc(cc1Cl)N1CCN(CCC(=O)c2ccc(Cl)cc2)CC1
OCc1ccc(cc1Cl)N1CCN(CC[C@@H](O)c2ccc(Cl)cc2)CC1
CN1C(CCN2CCN(CC2)c2ccc(C)c(C)c2)c2ccccc2C1=O
OCc1ccc(cc1Cl)N1CCN(CC[C@H](O)c2ccc(Cl)cc2)CC1
CN1C(CCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2C1=O
Cc1ccc(cc1C)C1CCN(CCC2NC(=O)c3ccccc23)CC1
FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(Cc2ccccc2)CC1
C(N1CCN(CC1)c1cccc2[nH]cnc12)c1ccccc1
Brc1ccc(N2CCN(Cc3ccccc3)CC2)c2cc[nH]c12
Clc1ccc2[nH]ccc2c1N1CCN(Cc2ccccc2)CC1
C(N1CCN(CC1)c1cccc2[nH]ccc12)c1ccccc1
O=c1[nH]c2cccc(N3CCN(Cc4ccccc4)CC3)c2[nH]1
Clc1ccc2NC(=O)Cc2c1N1CCN(Cc2ccccc2)CC1
O=C1Cc2c(N1)cccc2N1CCN(Cc2ccccc2)CC1
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
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(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
COc1ccc(cc1)N1CCN(CCc2c[nH]c3ncccc23)CC1
C(N1CCc2ccccc2C1)c1cc2cccnc2[nH]1
COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C(Cc1ccccc1)C1CCN(Cc2c[nH]c3ncccc23)CC1
C(Cc1cc2cccnc2[nH]1)N1CCC(\C=C\c2ccccc2)=CC1 |c:25|
Clc1ccc(cc1)N1CCN(CCc2cc3cccnc3[nH]2)CC1
C(Cc1ccccc1)C1CCN(Cc2cc3cccnc3[nH]2)CC1
C(N1CCc2ccccc2C1)c1c[nH]c2ncccc12
C(N1CCC(CC1)n1nnc(n1)-c1ccccc1)c1ccccc1
Cc1nnn(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1
C(N1CCC(CC1)n1nccc1-c1ccccc1)c1ccccc1
Cc1c([nH]nc1-c1ccccc1)C1CCN(Cc2ccccc2)CC1
C(N1CCC(CC1)n1cc(nn1)-c1ccccc1)c1ccccc1
C(N1CCC(CC1)n1nnnc1-c1ccccc1)c1ccccc1
Cc1c(cnn1C1CCN(Cc2cccc(Cl)c2)CC1)-c1ccccc1
Cc1c(cnn1C1CCN(Cc2cccc(c2)C#N)CC1)-c1ccccc1
Cc1c(nnn1C1CCN(Cc2ccccc2)CC1)-c1ccccc1
Cc1nn(cc1-c1ccccc1)C1CCN(Cc2cccc(c2)C#N)CC1
Cc1c(cnn1C1CCN(Cc2ccccc2)CC1)-c1ccccc1
Cc1nn(cc1-c1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1
Cc1nn(cc1-c1ccccc1)C1CCN(Cc2ccccc2)CC1
C(N1CCC(CC1)n1cnc(c1)-c1ccccc1)c1ccccc1
Cc1cc(-c2ccccc2)n(n1)C1CCN(Cc2ccccc2)CC1
OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(C)(=O)=O)cc12 |t:8|
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
O=c1[nH]c(cn1C1CCN(Cc2ccccc2)CC1)-c1ccccc1
Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1cccc(Cl)c1
Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1
O=C(NC1CCN(Cc2ccccc2)CC1)Nc1ccccn1
Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccc(F)cc1
Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2Cl)CC1)-c1ccccc1
COc1cccc(CN2CCC(CC2)n2c(C)c([nH]c2=O)-c2ccccc2)c1
O=C(NC1CCN(Cc2ccccc2)CC1)Nc1nccc2ccccc12
Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccccn1
CN1CCC(CC1)n1c(C)c([nH]c1=O)-c1ccccc1
Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccccc1Cl
Cc1c([nH]c(=O)n1C1CCN(Cc2ccc(Cl)cc2)CC1)-c1ccccc1
Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccccc1
O=C(NC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1
CCc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccccc1
Cc1c([nH]c(=O)n1C1CCN(CCc2ccccc2)CC1)-c1ccccc1
Cc1c([nH]c(=O)n1C1CCN(Cc2cccc(Cl)c2)CC1)-c1ccccc1
COc1ccc(cc1)-c1[nH]c(=O)n(C2CCN(Cc3ccccc3)CC2)c1C
Cc1c([nH]c(=O)n1C1CCN(Cc2cccc(c2)C#N)CC1)-c1ccccc1
Cn1c(cn(C2CCN(Cc3ccccc3)CC2)c1=O)-c1ccccc1
O=C(NC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1ccc(C)cc1
Cc1[nH]c(=O)n(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1
Cc1c([nH]c(=O)n1C1CCN(Cc2cccc(C)c2)CC1)-c1ccccc1
Cc1c(-c2ccccc2)n(-c2ccccc2)c(=O)n1C1CCN(Cc2ccccc2)CC1
Cc1c([nH]c(=O)n1C1CCN(CCCc2ccccc2)CC1)-c1ccccc1
Cc1c([nH]c(=O)n1C1CCN(Cc2ccccc2)CC1)-c1cccs1
Cc1c(-c2ccccc2)n(C)c(=O)n1C1CCN(Cc2ccccc2)CC1
Cc1c([nH]c(=O)n1C1CCN(CC2CCCCC2)CC1)-c1ccccc1
O=C(NCc1ccccc1)NC1CCN(Cc2ccccc2)CC1
Clc1ccc(cc1)N1CCN(Cc2cc[nH]c2C=C(C#N)C#N)CC1 |(4.53,1.33,;3.38,.32,;1.91,.81,;.75,-.22,;1.07,-1.71,;2.52,-2.2,;3.69,-1.2,;-.09,-2.74,;.22,-4.23,;-.91,-5.25,;-2.37,-4.78,;-3.5,-5.81,;-4.97,-5.34,;-6.16,-6.3,;-7.46,-5.48,;-7.07,-3.99,;-5.53,-3.9,;-4.69,-2.61,;-5.39,-1.24,;-6.93,-1.17,;-8.46,-1,;-4.56,.05,;-4,1.49,;-2.7,-3.27,;-1.56,-2.26,)|
N#CC(=Cc1[nH]ccc1CN1CCN(CC1)c1ccccc1)C#N |(-8.12,-.83,;-6.59,-.99,;-5.05,-1.07,;-4.35,-2.44,;-5.19,-3.74,;-6.73,-3.82,;-7.13,-5.31,;-5.82,-6.13,;-4.63,-5.17,;-3.15,-5.64,;-2.02,-4.61,;-.56,-5.08,;.57,-4.05,;.26,-2.55,;-1.21,-2.09,;-2.35,-3.11,;1.43,-1.54,;2.87,-2.03,;4.04,-1.01,;3.74,.49,;2.27,.98,;1.11,-.03,;-4.22,.23,;-3.66,1.67,)|
N#CC(=Cc1ccc(CN2CCN(CC2)c2ccccc2)[nH]1)C#N |(-2.04,-8.9,;-.7,-8.14,;.75,-7.65,;1.08,-6.16,;2.55,-5.68,;3.01,-4.22,;4.55,-4.22,;5.03,-5.68,;6.5,-6.16,;7.63,-5.13,;8.34,-3.76,;9.99,-4.32,;11.24,-3.85,;10.53,-5.23,;8.79,-4.67,;12.39,-2.84,;12.08,-1.34,;13.23,-.33,;14.7,-.82,;15,-2.31,;13.85,-3.34,;3.78,-6.59,;1.89,-8.69,;2.99,-9.77,)|
Clc1ccc(cc1)N1CCN(Cc2c[nH]c(C=C(C#N)C#N)c2)CC1 |(17.45,-1.32,;16.3,-2.34,;14.83,-1.85,;13.68,-2.87,;13.99,-4.37,;15.44,-4.86,;16.61,-3.85,;12.83,-5.39,;11.59,-5.84,;9.93,-5.28,;9.22,-6.66,;8.09,-7.69,;6.62,-7.22,;5.56,-8.34,;4.16,-7.68,;4.37,-6.15,;3.25,-5.1,;1.76,-5.54,;.64,-4.48,;-.67,-3.67,;1.41,-7.04,;.98,-8.51,;5.87,-5.87,;10.37,-6.2,;12.13,-6.76,)|
Clc1ccc(cc1)N1CCN(Cc2ccc(C=C(C#N)C#N)[nH]2)CC1 |(17.42,-1.31,;16.28,-2.34,;14.81,-1.85,;13.66,-2.87,;13.97,-4.37,;15.41,-4.86,;16.58,-3.85,;12.8,-5.38,;11.57,-5.83,;9.91,-5.27,;9.21,-6.65,;8.07,-7.68,;6.6,-7.21,;6.13,-5.74,;4.59,-5.74,;4.11,-7.21,;2.66,-7.68,;2.33,-9.18,;.87,-9.66,;-.47,-10.43,;3.47,-10.22,;4.55,-11.3,;5.36,-8.12,;10.36,-6.18,;12.1,-6.74,)|
N#CC(=Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1)C#N |(-.67,-3.67,;.64,-4.48,;1.76,-5.54,;3.25,-5.1,;4.37,-6.15,;5.87,-5.87,;6.62,-7.22,;8.09,-7.69,;9.22,-6.66,;9.93,-5.28,;11.59,-5.84,;12.83,-5.39,;12.13,-6.76,;10.37,-6.2,;13.99,-4.37,;13.68,-2.87,;14.83,-1.85,;16.3,-2.34,;16.61,-3.85,;15.44,-4.86,;5.56,-8.34,;4.16,-7.68,;1.41,-7.04,;.98,-8.51,)|
COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
CCN(CCNCc1ccc2ccc(=O)oc2c1)c1ccccc1
Clc1ccc(cc1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Cc1ccc(cc1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
O=c1ccc2ccc(CNCCOc3ccccc3)cc2o1
Clc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1
Cc1cccc(c1)N1CCN(Cc2ccc3oc(=O)ccc3c2)CC1
O=c1ccc2ccc(CN3CCC(CC3)c3ccccc3)cc2o1
Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1Cl
Cc1ccccc1N1CCN(Cc2ccc3oc(=O)ccc3c2)CC1
CC(C)(C)c1ccc(cc1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
O=c1ccc2cc(CNCCNc3ccccc3)ccc2o1
O=c1ccc2ccc(CNCCCNc3ccccc3)cc2o1
COc1ccc(cc1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Cc1cccc(c1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1C
O=c1ccc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2o1
Cc1ccccc1N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
O=c1ccc2cc(CN3CCN(CC3)c3ccccc3)ccc2o1
O=c1ccc2ccc(CN3CCC(=CC3)c3ccccc3)cc2o1 |c:12|
Cc1ccc(cc1C)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
CCN(CCNc1ccccc1)Cc1ccc2ccc(=O)oc2c1
O=c1ccc2ccc(CN3CCN(CC3)c3ccccc3)cc2o1
Fc1ccc(cc1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
C(COc1cccc2[nH]ccc12)NCc1ccccc1
Cc1nc2cccc(OCCNCc3ccccc3)c2[nH]1
O=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
C(COc1cccc2nc[nH]c12)NCc1ccccc1
O=C1Cc2c(N1)cccc2OCCNCc1ccccc1
Clc1cc(OCCNCc2ccccc2)c2[nH]c(=S)[nH]c2c1
FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1
Clc1cc(OCCNCc2ccccc2)c2[nH]c(=O)[nH]c2c1
FC(F)(F)c1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1
C(COc1cccc2[nH]ncc12)NCc1ccccc1
C#Cc1cccn1C1CCN(Cc2ccccc2)CC1
C(N1CCC(CC1)n1cccc1-c1cnco1)c1ccccc1
C(N1CCC(CC1)n1cccc1C#Cc1ccccc1)c1ccccc1
O=Cc1cccn1C1CCN(Cc2ccccc2)CC1
c1ccc(cc1)CN2CCC(CC2)n3cccc3
N#C\[#6](=[#6]\c1ccn(c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1)C#N
C[Si](C)(C)C#Cc1cccn1C1CCN(Cc2ccccc2)CC1
Ic1cccn1C1CCN(Cc2ccccc2)CC1
O=Cc1ccn(c1)C1CCN(Cc2ccccc2)CC1
N#C\[#6](=[#6]\c1cccn1-[#6]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1)C#N
C(N1CCC(CC1)n1ccc(c1)-c1cnco1)c1ccccc1
COc1cccc(NC(=O)CCN2CCN(CC2)c2ccc(Cl)cc2)c1
COc1cccc(c1)C(=O)CCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1ccc2CCN(CCN3CCN(CC3)c3ccc(Cl)cc3)C(=O)c2c1
COc1cccc(CCCCN2CCN(CC2)c2ccc(Cl)cc2)c1
COc1cccc(c1)C(=O)CCCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc(CNCCN2CCN(CC2)c2ccc(Cl)cc2)c1
COc1cccc2C(CCCN3CCN(CC3)c3ccc(Cl)cc3)CCCc12
COc1ccc2CCCC(NCCN3CCN(CC3)c3ccc(Cl)cc3)c2c1
COc1cccc(c1)C(=O)NCCCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc2C(=O)N(CCN3CCN(CC3)c3ccc(Cl)cc3)CCc12
COc1cccc(c1)C(=O)N(C)CCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1ccc2CCCC(CCCN3CCN(CC3)c3ccc(Cl)cc3)c2c1
COc1cccc(c1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc(F)c1OC1CN(Cc2cnn(c2C)-c2ccccc2)C1
CN(C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1
Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1
CCN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1
CN1C(=O)C(C)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
CCN1c2ccccc2CCC(N2CCN(Cc3ccc(C)cc3)CC2)C1=O
Cc1ccc(CN2CCN(CC2)C2C(=O)Nc3ccccc23)cc1
Clc1ccc(CN2CCN(CC2)C2CCc3ccccc3NC2=O)cc1
CCN1c2ccccc2CCC(N2CCN(Cc3ccc(Cl)cc3)CC2)C1=O
CN1c2ccccc2CCC(N2CCN(Cc3ccc(Cl)cc3)CC2)C1=O
Clc1ccc(CN2CCN(CC2)C2C(=O)Nc3ccccc23)cc1
Cc1ccc(CN2CCN(CC2)C2CCc3ccccc3NC2=O)cc1
CN1c2ccccc2CCC(N2CCN(Cc3ccc(C)cc3)CC2)C1=O
Clc1ccc(CN2CCN(CC(=O)N3CCc4ccccc34)CC2)cc1
CCN1C(=O)C(CC)(N2CCN(Cc3ccc(C)cc3)CC2)c2ccccc12
CN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1
CCN1C(=O)C(CC)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
CN1C(=O)C(C)(N2CCN(Cc3ccc(C)cc3)CC2)c2ccccc12
Clc1ccc(CN2CCN(CC2)C2Cc3ccccc3NC2=O)cc1
COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1
CN1CCN(CC1)c1nc2ccccc2c(Cl)c1Sc1ccccc1
CNc1nc(Cl)c(Sc2ccccc2)c(n1)N1CCN(C)CC1
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
CN1CCN(CC1)c1nc(C)nc(Cl)c1Sc1ccc(Cl)cc1
CNc1nc(Cl)c(SC)c(n1)N1CCN(C)CC1
Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(NC2CCN(Cc3ccccc3)CC2)n1
COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Clc1ccc(cc1)N1CCN(Cc2cccc3ccnn23)CC1
OCc1cnn2cccc(CN3CCN(CC3)c3ccc(Cl)cc3)c12
Clc1ccc(cc1)N1CCN(Cc2ccc3ccnn3c2)CC1
Clc1ccc(cc1)N1CCN(Cc2cc3ccccn3n2)CC1
Clc1ccc(cc1)N1CCN(Cc2cccn3nccc23)CC1
CCOC(=O)c1cnn2cccc(CN3CCN(CC3)c3ccc(Cl)cc3)c12
CN(C)CCc1cccc2n(c(cc12)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12
NCCc1cccc2n(ccc12)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
COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
Oc1cc2OCC3NCc4ccccc4C3c2cc1O
Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12
CN1CCN2C(C1)c1ccccc1Cc1cccnc21
COc1cccc2Cc3ccccc3C3CN(C)CCN3c12
CCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1
Clc1ccc(CN2CCN(CCN3C(=O)COc4ccccc34)CC2)cc1
CC(N1CCN(CC(=O)N2C(C)Cc3ccccc23)CC1)c1ccc(Cl)cc1
CCC1(CC)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Clc1ccc(CN2CCN(CC(=O)N3[C@@H]4CCCC[C@@H]4c4ccccc34)CC2)cc1
CC1CN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2C)CC1
[O-][N+](=O)c1ccc2N(CCc2c1)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
CC(C)c1ccc(CN2CCN(CC(=O)N3C(C)Cc4ccccc34)CC2)cc1
Clc1ccc(CN2CCN(CC2)C(=O)N2CCc3ccccc23)cc1
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)cc2)CC1
Cc1ccc2CCN(C(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)c2c1
Clc1ccc(CN2CCN(CC(=O)N3CCCSc4ccccc34)CC2)cc1
Clc1ccc(CN2CCN(CC2)C(=O)CN2CCc3ccccc23)cc1
CC1CCc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
Clc1ccc(CN2CCN(CCN3c4ccccc4CS3(=O)=O)CC2)cc1
CC1CC(C)(C)N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2cc(C)ccc12
COc1ccccc1CN1CCN(CC(=O)N2C(C)Cc3ccccc23)CC1
CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(C)ccc2C)CC1
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(Cl)cc2)CC1
CCc1ccc(CN2CCN(CC(=O)N3C(C)Cc4ccccc34)CC2)cc1
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(F)c2)CC1
CSc1ccc2N(CCc2c1)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Clc1ccc(CN2CCN(CCN3C(=O)C(=O)c4ccccc34)CC2)cc1
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
C[C@H]1CN(Cc2ccc(Cl)cc2)[C@H](C)CN1CC(=O)N1CCc2ccccc12
CC(N1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)N1CCc2ccccc12
Clc1ccc(CN2CCN(CCN3C(=O)Cc4ccccc34)CC2)cc1
CC1CC(C)(C)N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(Cl)c2)CC1
CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)cc(F)c2)CC1
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2)CC1
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)c(F)c2)CC1
CC1Cc2ccccc2N1C(=O)CN1CCN(CC1)c1ccc(Cl)cc1
Clc1ccc(CN2CCN(CC(=O)N3CCCC4CCCCC34)CC2)cc1
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccccc2Cl)CC1
C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1CC(=O)N1CCc2ccccc12
Cc1ccc2N(CCc2c1)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
C[C@@H]1[C@@H](C)c2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
CC(C)CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
CC(C)C1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(C)c2)CC1
Clc1ccc(CN2CCN(CC(=O)N3CCc4ccc(Cl)cc34)CC2)cc1
CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
C[C@H]1CN(CC(=O)N2CCc3ccccc23)C[C@@H](C)N1Cc1ccc(Cl)cc1
CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)cc2)CC1
CC1N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2C1(C)C
CC1(C)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(cc2)C(C)(C)C)CC1
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2Cl)CC1
Clc1ccc(CN2CCN(CC(=O)N3CCc4c3cccc4Cl)CC2)cc1
Cc1cccc2CCN(C(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)c12
Cc1cccc2N(CCc12)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
Clc1ccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)cc1
CC1CCc2cc(F)ccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Clc1ccc(CN2CCN(CC(=O)N3c4ccccc4CC33CCCC3)CC2)cc1
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)c(C)c2)CC1
Clc1ccc(CN2CCN(CC(=O)N3c4ccccc4CC33CCCCC3)CC2)cc1
CN(C)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
COc1ccc(CN2CCN(CC(=O)N3C(C)Cc4ccccc34)CC2)cc1
CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccccc2F)CC1
Clc1ccc(CN2CCN(CC(=O)N3CCSc4ccccc34)CC2)cc1
CC1Cc2ccccc2N1C(=O)CN1CCN(CCc2ccc(Cl)cc2)CC1
Fc1cccc2N(CCc12)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
C[C@@H]1[C@H](C)c2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@+]1(C)CC(=O)N1CCc2ccccc12
Clc1ccc(CN2CCN(CC(=O)N3CCCc4ccccc34)CC2)cc1
Clc1ccc(CN2CCN(CCn3c4ccccc4sc3=O)CC2)cc1
Fc1ccc2CCN(C(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)c2c1
[O-][N+](=O)c1ccc2CCN(C(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)c2c1
Clc1ccc(CN2CCN(CCC(=O)N3CCc4ccccc34)CC2)cc1
CC1Cc2ccccc2N1C(=O)CN1CCC(Cc2ccc(Cl)cc2)CC1
Clc1ccc(CN2CCN(CCn3c4ccccc4oc3=O)CC2)cc1
CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
COc1cccc2N(CCc12)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Clc1ccc(CN2CCN(CC(=O)N3CCOc4ccccc34)CC2)cc1
CCC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
COc1ccc(CN2CCC(CC(=O)N3C(C)Cc4ccccc34)CC2)cc1
CC1Cc2ccccc2N1C(=O)CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
CCc1ccc(CN2CCN(CC(=O)N3[C@H](C)Cc4ccccc34)CC2)cc1
FC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(F)c2)CC1
Clc1ccc(CN2CCN(CC(=O)N3[C@@H](Cc4ccccc34)C=C)CC2)cc1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)ccc2Cl)CC1
CC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Clc1ccc(CN2CCN(CC(=O)N3[C@@H](Cc4ccccc34)C(=O)NCc3ccccc3)CC2)cc1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2Cl)CC1
OC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)c(F)c2)CC1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
CC(C)c1ccc(Cl)cc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
OC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
COc1cc(Cl)ccc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)cc2)CC1
C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)c(F)c2Cl)CC1
COc1ccc(OC)c(CN2CCN(CC(=O)N3[C@H](C)Cc4ccccc34)CC2)c1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2F)CC1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)c(Cl)cc2F)CC1
COc1ccc(CN2CCN(CC(=O)N3[C@H](C)Cc4ccccc34)CC2)cc1
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(Cl)c2)CC1
COc1ccc(Cl)cc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
CC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
CCOc1ccc(Cl)cc1CN1CCN(CC(=O)N2[C@H](C)Cc3ccccc23)CC1
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Clc1ccc2Nc3ncccc3N=C(NCCc3ccccn3)c2c1 |t:13|
Clc1ccc2Nc3ncccc3N=C(NCCN3CCCC3)c2c1 |t:13|
Cc1ccc2Nc3ncccc3N=C(N3CCN(CC3)c3ccccc3)c2c1 |t:13|
Clc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1 |t:13|
CN(C)CCCNC1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:7|
Cc1ccc2Nc3ncccc3N=C(NC3CC4CCC(C3)N4Cc3ccccc3)c2c1 |t:13|
Cc1ccc2Nc3ncccc3N=C(N3CCN(CC3)c3cccc(Cl)c3)c2c1 |t:13|
Clc1ccc2Nc3ncccc3N=C(N3CCN(CC3)c3ccccc3)c2c1 |t:13|
CN1CCCN(CC1)C1=Nc2cccnc2Nc2ccc(C)cc12 |t:9|
Clc1ccc2Nc3ncccc3N=C(NCCN3CCOCC3)c2c1 |t:13|
CN(C)CCCNC1=Nc2cccnc2Nc2ccc(C)cc12 |t:7|
CN1CCC(CC1)NC1=Nc2cccnc2Nc2ccc(C)cc12 |t:9|
Clc1ccc2Nc3ncccc3N=C(NC3CC4CCC(C3)N4Cc3ccccc3)c2c1 |t:13|
Cc1ccc2Nc3ncccc3N=C(NC3CCN(Cc4ccccc4)CC3)c2c1 |t:13|
CN1CCC(CC1)NC1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:9|
Cc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1 |t:13|
CN(C)CCNC1=Nc2cccnc2Nc2ccc(C)cc12 |t:6|
Cc1ccc2Nc3ncccc3N=C(N3CCN(CCc4ccccc4)CC3)c2c1 |t:13|
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:18|
Clc1cccc(c1)N1CCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:15|
Cc1ccc2Nc3ncccc3N=C(N3CCN(Cc4ccccc4)CC3)c2c1 |t:13|
Cc1ccc2Nc3ncccc3N=C(NCCN3CCOCC3)c2c1 |t:13|
Clc1ccc2Nc3ncccc3N=C(NC3CCN(Cc4ccccc4)CC3)c2c1 |t:13|
Clc1ccc2Nc3ncccc3N=C(NCCN3CCCCC3)c2c1 |t:13|
Clc1ccc2Nc3ncccc3N=C(N3CCN(CCc4ccccc4)CC3)c2c1 |t:13|
CN1CCCC1CCNC1=Nc2cccnc2Nc2ccc(C)cc12 |t:10|
Cc1ccc2Nc3ncccc3N=C(NCCc3ccccn3)c2c1 |t:13|
Clc1ccc2Nc3ncccc3N=C(N3CCN(Cc4ccccc4)CC3)c2c1 |t:13|
COc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Cc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
CC1Cc2cccc3CCC(N4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)N1c23
COc1cc(C)ccc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
COc1ccc(C)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
Cc1ccc(CN2CCN(CC2)C2CCc3cccc4CC(C)(C)N(c34)C2=O)cc1
CC1(C)Cc2cccc3CCC(N4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)N1c23
COc1ccc(Cl)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O
CC1Cc2cccc3CCC(N4CCN(Cc5ccc(C)cc5)CC4)C(=O)N1c23
C(Cc1ccccc1)C1CN(Cc2nc3ccccc3[nH]2)CCO1
C(Cc1ccccc1)[C@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r|
C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r|
FC(F)(F)Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r|
Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r|
Clc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r|
FC(F)(F)Oc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1
COc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1
Clc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1
Cc1ccccc1CN1CCOC(CCc2ccccc2)C1
FC(F)(F)Oc1cccc(CN2CCOC(CCc3ccccc3)C2)c1
Fc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1
C(Cc1ccccc1)C1CN(Cc2ccccc2)CCO1
Fc1cccc(F)c1CN1CCOC(CCc2ccccc2)C1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C
CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)CC1
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C
OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Clc1sc(Cl)c-2c1CCCc1c[nH]nc-21
Clc1sc(Cl)c-2c1CCCc1cnn(Cc3ccccc3)c-21
Cc1sc(C)c-2c1CCCc1nccn-21
CN1Cc2c[nH]nc2-c2c(C)sc(C)c2C1
Cc1oc(C)c-2c1CCCc1c[nH]nc-21
Cc1sc(C)c-2c1CCCc1ncn(C)c-21
Cn1ncc2CCCc3ccccc3-c12
CCn1ncc2CCCc3c(C)sc(C)c3-c12
Cc1nnc2CCCc3c(C)sc(C)c3-n12
Cn1ncc2CCCc3c(Cl)sc(Cl)c3-c12
Cc1sc(C)c-2c1CCc1cnn(C)c-21
CC(C)n1ncc2CCCc3c(C)sc(C)c3-c12
CN(C)Cc1[nH]nc-2c1CCCc1c(C)sc(C)c-21
Cc1ccc(C)c2-c3n[nH]cc3CCCc12
Cc1sc(C)c-2c1CCCc1c[nH]nc-21
Cc1sc(C)c-2c1CCCc1cn(C)nc-21
Cc1sc(C)c-2c1CCc1c[nH]nc-21
CCCn1ncc2CCCc3c(Cl)sc(Cl)c3-c12
Cc1sc(C)c-2c1CCCc1cnn(c-21)-c1ccccc1
Cc1sc(C)c-2c1CCCc1cnn(C)c-21
CCCn1ncc2CCCc3c(C)sc(C)c3-c12
Cc1sc(C)c-2c1CCc1cn(C)nc-21
CC(C)n1ncc2CCCc3c(Cl)sc(Cl)c3-c12
Cc1sc(C)c-2c1SCc1cnn(C)c-21
CCn1ncc2CCCc3c(Cl)sc(Cl)c3-c12
C1Cc2c[nH]nc2-c2ccccc2C1
Cc1oc(C)c-2c1CCCc1cnn(C)c-21
Cn1cc2CCCc3ccccc3-c2n1
Cc1sc(C)c-2c1CCCc1nncn-21
Cc1sc(C)c-2c1CC(C)(C)Cc1c[nH]nc-21
COc1c(cc(Br)c2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1cc2CCN(CCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
COc1cc(Br)cc(C(=O)NCCN2CCc3ccccc3C2)c1OC
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2cccc3cnccc23)CC1
COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2cccc3cnccc23)CC1
COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(cc2)N(C)C)CC1
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(SC)cc2)CC1
COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(SC)cc2)CC1
COc1cc(Cl)ccc1OCC1CN(Cc2ccc(Br)cc2)CCCO1
CCCc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
COc1ccccc1CCC1CN(Cc2ccc(Cl)cc2)CCO1
COc1cc(Cl)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
CCOc1ccccc1OCC1CN(Cc2ccc(F)cc2)CCO1
CCOc1cc(ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1)C#N
COc1cccc(OCC2CN(Cc3ccc(Cl)cc3)CCO2)c1OC
COc1ccccc1OCC1CN(Cc2cccc(Cl)c2)CCO1
CC(C)Oc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
COc1ccc(cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1)[N+]([O-])=O
CCOc1ccc(Cl)cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
Cc1ncccc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1
COc1ccc(cc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1)[N+]([O-])=O
CCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
COc1ccc(Cl)cc1OCC1CN(Cc2ccccc2)CCO1
COc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
CCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2Cl)CCO1
COc1ccccc1SCC1CN(Cc2ccc(Cl)cc2)CCO1
COc1cc(Cl)ccc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1
COCCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
COc1ccccc1OCC1CN(Cc2ccccc2)CCO1
CCOc1cc(Cl)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1
CCOc1ccccc1OCC1CN(Cc2ccc(cc2)[N+]([O-])=O)CCO1
COc1ccc(F)cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
CCOc1cc(Cl)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
CC(=O)c1ccc(Cl)cc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1
CCOc1ccc(Cl)cc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1
Oc1cc(Cl)ccc1NCC1CN(Cc2ccc(Cl)cc2)CCO1
COc1ccccc1OCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
Clc1ccc(CN2CCOC(COc3ccc(Cl)c4cccnc34)C2)cc1
COc1cc(Cl)ccc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1
CCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1
COc1cc(Cl)cc(OCC2CN(Cc3ccccc3)CCO2)c1
COc1ccc(Cl)cc1NCC1CN(Cc2ccc(Cl)cc2)CCO1
COc1ccc(cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1)C(F)(F)F
COc1ccccc1OCC1CN(Cc2ccc(cc2)C(F)(F)F)CCO1
CCOc1cc(I)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
COc1ccccc1\C=C\C1CN(Cc2ccc(Cl)cc2)CCO1
COc1cc(I)ccc1OCC1CN(Cc2ccccc2)CCO1
COc1ccc(N)cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4o3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(I)s3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4s3)CC2)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3s2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
C(CN1CCOCC1)Oc1ccccc1Cc1ccccc1
C(CN1CCCCC1)Oc1ccccc1Cc1ccccc1
C(CN1CCCC1)Oc1ccccc1Cc1ccccc1
C(CN1CCN(CC1)c1ccccc1)Oc1ccccc1Cc1ccccc1
C(CN1CCCC1)Nc1ccccc1Cc1ccccc1
O=C(c1ccccc1)c1ccccc1OCCN1CCCC1
CN1CCOc2cc(O)ccc2Cc2ccccc2CC1
C(COc1ccccc1Cc1ccccc1)CN1CCCC1
COc1ccc2Cc3ccccc3CCN(C)CCOc2c1
CCN(CC)CCOc1ccccc1Cc1ccccc1
CN(C)CCOc1ccccc1Cc1ccccc1
OC(c1ccccc1)c1ccccc1OCCN1CCCC1
CC1CN(CCOc2ccccc2Cc2ccccc2)CCO1
O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N
O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1cccs1
O=Cc1ccc(cc1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1ccsc1
O=Cc1ccccc1-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1cccs1
O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1ccsc1
O=C(NC1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1ccccc1
O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1ccsc1
O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1cccs1
O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1ccsc1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1ccsc1
Fc1cccc(c1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
FC(F)(F)c1ccc(cc1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
Nc1cccc(c1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
CSc1ccc(cc1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1cccs1
Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(c2ccccc2)c2ccccc2)c1
Cc1cc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)ccc1Br
Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)-c2ccccc2)c1
Cc1cc(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2C#N)ccc1Br
Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)c1
Cc1c(Br)cc(Br)c(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2C#N)c1Br
Cc1cccc(NC(=O)CN2CCN(CC2)c2ccncc2)c1
COc1ccc(cc1)N1CCN(CC(=O)Nc2cccc(C)c2)CC1
COc1cccc(c1)N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)c1
Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(Cc3ccccc3)cc2)c1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Cc1ccc(cc1)C(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
CC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCN1CCN(CCC(=O)OC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
CN(CCN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
CN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCCCCCCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCCCCCCCCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCOCCOCCOCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCOCCOCCOCCOCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1
OC1(CCN(CC1)C(=O)CCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
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
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|
Clc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
Fc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
COc1ccccc1N1CCN(CCNC(=O)c2cnn3ccccc23)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3cccnc3)CC2)c1Cl
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4s3)CC2)c1Cl
COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
CCCN(CCC)[C@H]1CCn2c(C1)ccc2C#N
COc1cccc2CC[C@H]3CN(CCCCNC(=O)c4ccc5ccccc5c4)CCN3c12
COc1ccc2CC[C@@H]3CN(CCCCNC(=O)c4ccc5ccccc5c4)CCN3c2c1
COc1ccc2N3CCN(CCCCNC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1
Fc1ccc(cc1)C(=O)CCCN1CCN2C(CCc3ccccc23)C1
O=C(NCCCCN1CCN2[C@H](CCc3ccccc23)C1)c1ccc2ccccc2c1
COc1cccc2CC[C@@H]3CN(CCCCNC(=O)c4ccc5ccccc5c4)CCN3c12
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
COc1ccc2CC[C@H]3CN(CCCCNC(=O)c4ccc5ccccc5c4)CCN3c2c1
COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc2c1 |wU:32.35,(-5.22,2.89,;-3.9,3.66,;-2.54,2.93,;-2.52,1.37,;-1.19,.65,;.12,1.42,;1.48,.67,;1.42,-.85,;2.75,-1.66,;4.11,-.89,;5.65,-.87,;6.45,-2.2,;7.99,-2.18,;8.73,-.84,;10.27,-.82,;11.06,-2.15,;10.3,-3.48,;8.77,-3.51,;12.6,-2.13,;13.35,-.78,;12.56,.55,;14.89,-.77,;15.63,.58,;17.17,.61,;17.95,-.71,;19.47,-.68,;20.26,-1.98,;19.54,-3.32,;18,-3.36,;17.2,-2.06,;15.66,-2.08,;4.13,.67,;2.8,1.46,;2.78,3,;1.43,3.75,;.12,2.96,;-1.23,3.7,)|
COc1ccc2N3CCN(CCN4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc2c1
O=C(NCCCCN1CCN2[C@@H](CCc3ccccc23)C1)c1ccc2ccccc2c1
COc1cccc2N3CCN(CCCCNC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc12
COc1ccc2N3CCN(CCCCNC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc2c1
COc1cccc2N3CCN(CCCCNC(=O)c4ccc5ccccc5c4)C[C@H]3CCc12
COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1 |wD:32.35,(-7.9,-.93,;-6.62,-.1,;-5.24,-.79,;-5.17,-2.34,;-3.82,-3.03,;-2.51,-2.22,;-1.14,-2.92,;-1.14,-4.44,;.21,-5.2,;1.55,-4.39,;3.09,-4.39,;3.86,-5.72,;5.4,-5.72,;6.14,-7.08,;7.68,-7.09,;8.45,-5.77,;7.71,-4.42,;6.17,-4.39,;10.01,-5.79,;10.79,-4.46,;10.03,-3.11,;12.33,-4.48,;13.1,-3.15,;14.64,-3.16,;15.4,-4.5,;16.92,-4.51,;17.69,-5.83,;16.92,-7.16,;15.38,-7.15,;14.61,-5.83,;13.07,-5.82,;1.5,-2.83,;.15,-2.08,;.08,-.54,;-1.28,.16,;-2.58,-.68,;-3.94,.02,)|
COc1ccc2N3CCN(CCN4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1
O=C(NCCCCN1CCN2C(CCc3ccccc23)C1)c1ccc2ccccc2c1
NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1
Fc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Fc1ccc(cn1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Fc1cccc(n1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)cc2)CC1
Fc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)nc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(F)n2)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccn2)CC1
C(N1CCC(=CC1)c1ccccc1)c1cnn(c1)-c1ccccc1 |c:4|
C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccn1
C(N1CCN(CC1)c1ncccn1)c1cnn(c1)-c1ccccc1
Cc1c(CN2CCN(CC2)c2ccccc2)cnn1-c1ccccc1
COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Fc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
C(N1CCN(CC1)c1ccccc1)c1ccc(cc1)-n1cccn1
C(N1CCC(=CC1)c1ccccc1)c1cn(nn1)-c1ccccc1 |c:4|
C(N1CCN(CC1)c1ccccc1)c1cn(nn1)-c1ccccc1
COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccc1
Fc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Cc1nn(cc1CN1CCN(CC1)c1ccccc1)-c1ccccc1
COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Fc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1F
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4CCc5ccc(CCc(cc4)c3o2)cc5)CC1
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12 |t:8|
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(F)cccc2C(F)(F)F)c2ccccc12 |t:8|
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:23|
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2N)c2ccccc12 |t:8|
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2C)c2ccccc12 |t:8|
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc3ccccc23)c2ccccc12 |t:8|
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(C)c(C)c1
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1C
CCCO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
CCO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccccc1
Fc1cccc(c1)C(CCN1CCN(CC1)c1ccccn1)N=O
CO\N=C(\C(CN1CCN(CC1)c1ccccn1)OC)c1ccc(Cl)cc1
O=NC(CCN1CCN(CC1)c1ncccc1C#N)c1ccccc1
CO\N=C(/C(COC(C)C)CN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
CO\N=C(\CCN1CCC(CC1)c1ccccn1)c1ccc(Cl)cc1
C=CCO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
CO\N=C(/CCN1CCC(CC1)c1ccccn1)c1ccc(Cl)cc1
CO\N=C(/C(O)CN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ccccn1)N=O
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccc(C)c1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccnc1
CCO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
O=NC(CCN1CCN(CC1)c1ccccn1)c1ccccc1
CCO\N=C(/CCN1CCN(CC1)c1cccc(OC)c1)c1ccccc1
CO\N=C(/C(O)CN1CCN(CC1)c1ccccn1)c1cccnc1
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1Cl
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)c(Cl)c1
CCCCO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
CO\N=C(/CCN1CCCC(C1)c1ccccn1)c1ccc(Cl)cc1
CO\N=C(\C(O)CN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)c(C)c1
CO\N=C(/C(C)CN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1Cl
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccccc1C
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cc(C)cc(C)c1
CCO\N=C(/CCN1CCN(CC1)c1ccccc1OC)c1ccccc1
CO\N=C(/CCN1CCC(CC1)c1cccc[n+]1[O-])c1ccc(Cl)cc1
Cc1ccccc1C(CCN1CCN(CC1)c1ccccn1)N=O
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(C)c1
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(F)c1
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cc(F)cc(F)c1
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(Cl)c1
CONCC(CN1CCN(CC1)c1ccccn1)C(=N/OC)\c1ccc(Cl)cc1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)c(C)c1
Fc1cc(F)cc(c1)C(CCN1CCN(CC1)c1ccccn1)N=O
CO\N=C(/CN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cc(C)cc(C)c1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccc(C)c(C)c1
O=NC(CCN1CCN(CC1)c1ccccn1)c1cccc(c1)C#N
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
COC(CN1CCN(CC1)c1ccccn1)C(N=O)c1cccc(C)c1
CCO\N=C(/CCN1CCN(CC1)c1ccccc1)c1ccccc1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1Cl
Fc1ccc(cc1)C(CN1CCN(CC1)c1ccccn1)N=O
CC(C)O\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccc(F)c1
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(c1)C#N
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccc(c1)C#N
Fc1ccc(cc1)C(CCN1CCN(CC1)c1ccccn1)N=O
CCO\N=C(/CCN1CCN(CC1)c1cccc(OCC)c1)c1ccccc1
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccc(Br)cc1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cc(F)cc(F)c1
CO\N=C(\CCN1CCC(CC1)c1cccc[n+]1[O-])c1ccc(Cl)cc1
N#CCO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
Clc1cccc(c1)C(CCN1CCN(CC1)c1ccccn1)N=O
O=NC(CCN1CCN(CC1)c1ncccn1)c1ccccc1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccccc1Cl
CO\N=C(\CCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Cc1cc(C)cc(c1)C(CCN1CCN(CC1)c1ccccn1)N=O
Cc1cccc(c1)C(CCN1CCN(CC1)c1ccccn1)N=O
Cc1cccc(c1)C(NO)C(=O)CN1CCN(CC1)c1ccccn1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccc(F)c(Cl)c1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccccc1
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
CCO\N=C1/C(CN2CCN(CC2)c2ccccn2)CCc2ccccc12
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(F)c(Cl)c1
CO\N=C(/CCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
CCO\N=C(/CCN1CCN(CC1)c1ncccn1)c1ccccc1
CCO\N=C(/CCN1CCN(CC1)c1nccs1)c1ccccc1
CCO\N=C(/CCN1CCN(CC1)c1ncccc1C)c1ccccc1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)c(Cl)c1
CO\N=C(\CCN1CCN(CC1C)c1ccccn1)c1ccc(Cl)cc1
CCO\N=C(/CCN1CCN(CC1)c1ccccc1C#N)c1ccccc1
CO\N=C(/CCN1CCN(CC1C)c1ccccn1)c1ccc(Cl)cc1
CO\N=C(/C(CN1CCN(CC1)c1ccccn1)OC)c1ccc(Cl)cc1
Clc1ccc(cc1)C(CCN1CCN(CC1)c1ccccn1)N=O
Clc1ccccc1C(CCN1CCN(CC1)c1ccccn1)N=O
Cc1ccc(OCc2ccccc2)c(c1)C(CCN1CCN(CC1)c1ccccn1)N=O
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(Br)cc1
O=NC(CCN1CCN(CC1)c1nccs1)c1ccccc1
CCO\N=C(/CCN1CCN(CC1)c1ncccc1C#N)c1ccccc1
Cc1ccc(O)c(c1)C(CCN1CCN(CC1)c1ccccn1)N=O
CCO\N=C(/CCN1CCN(CC1)c1ccc(OC)cc1)c1ccccc1
CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccc(Cl)c1
Fc1ccc(C(CCN2CCN(CC2)c2ccccn2)N=O)c(F)c1
CO\N=C(\CN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
CN1CCCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Clc1cccc(N2CCN(CCCCn3cc(nn3)-c3ccc4ncccc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCn3cc(nn3)-c3ccc(cc3)-c3ccccc3)CC2)c1Cl
COc1ccccc1N1CCN(CC(O)CCn2cc(nn2)-c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CC(O)CCn2cc(nn2)-c2ccc(cc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CC(O)CCn2cc(nn2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CC(O)CCn2cc(nn2)-c2ccccc2OC)CC1
COc1ccccc1N1CCN(CC(O)CCn2cc(nn2)-c2ccc-3c(Cc4ccccc-34)c2)CC1
COc1ccccc1N1CCN(CC(O)CCn2cc(nn2)-c2ccc3ncccc3c2)CC1
OC(CCn1cc(nn1)-c1ccc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
OC(CCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)CN1CCN(CC1)c1cccc(Cl)c1Cl
OC(CCNC(=O)c1ccc2Cc3ccccc3-c2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc-3c(Cc4ccccc-34)c2)CC1
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc3[nH]ccc3c2)CC1
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc3cnccc3c2)CC1
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccccc2)CC1
Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccc4ccccc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccc4[nH]ccc4c3)CC2)c1Cl
COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc-3c(Cc4ccccc-34)c2)CC1
COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc3[nH]ccc3c2)CC1
COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc3ncccc3c2)CC1
COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc(cc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccccc2)CC1
Clc1cccc(N2CCN(CCCCn3cc(nn3)-c3ccc4ccccc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCn3cc(nn3)-c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCn3cc(nn3)-c3ccc4[nH]ccc4c3)CC2)c1Cl
CCOC(=O)C1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
OC1(CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(Cl)cc1
CC(=O)NCC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
OC1(CCCN(Cc2c[nH]c3ccccc23)C1)c1ccc(Cl)cc1 |w:1.0|
Cc1[nH]c2ccccc2c1CN1CCC(O)(CC1)c1ccc(Cl)cc1
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1cccc(Cl)c1Cl
CCCCCCn1cc(CN2CCC(O)(CC2)c2ccc(Cl)cc2)c2ccccc12
OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Cl)cc1
Cn1cc(CN2CCC(O)(CC2)c2ccc(Cl)cc2)c2ccccc12
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1cccc(Cl)c1
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(cc1)-c1ccccc1
CC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
COC(=O)C1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
NC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
OC1(CCN(Cc2n[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
CC(=O)NC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(SC)cc3)c2c1
OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
OC1(Cc2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(F)cc1
OC1(CCCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1 |w:1.0|
FC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Oc1ccc(cc1)C1(O)CCN(Cc2c[nH]c3ccccc23)CC1
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
COC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
CSc1ccc(cc1)C1(O)CCN(Cc2coc3ccccc23)CC1
OC1(CCN(Cc2n[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)C1(CCN(Cc2c[nH]c3ccccc23)CC1)OCC=C
NCC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccccc1Cl
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1cccc(c1)C(F)(F)F
COc1ccc(cc1)C1(O)CCN(Cc2c[nH]c3ccccc23)CC1
CCCCCCOc1ccc(cc1)C1(O)CCN(Cc2c[nH]c3ccccc23)CC1
OCC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
CSc1ccc(cc1)C1(O)CCN(Cc2c[nH]c3ccccc23)CC1
Clc1ccc(cc1)C1(CCN(Cc2c[nH]c3ccccc23)CC1)C#N
COc1ccc2[nH]c(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1ccc(Cl)c(c1)N1CCN(CCCCNC(=O)c2ccc3oc(=O)[nH]c3c2)CC1
[H][C@@]12C[C@@]1(CN(CCCSc1nnc(-c3ocnc3C)n1C)C2)c1ccc(cc1F)C(F)(F)F |r|
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccc2C#N)c1
COc1cccc(C)c1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
CCOc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
[O-][n+]1ccccc1C1CCN(CNC(=O)c2cnccc2Cl)CC1
Cc1cccc(NC(=O)CN2CCC(CC2)c2cccc(O)c2)c1
Cc1cccc(NC(=O)CN2CCC(CC2)c2nccs2)c1
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2cccc(F)c2)CC1
[O-][n+]1ccccc1C1CCN(CNC(=O)c2cccc(c2)C#N)CC1
CCc1cccc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1
Cc1cccc(C)c1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccc2C)c1
Cc1cccc(NC(=O)CN2CCC(CC2)c2cccc(n2)C#N)c1
Cc1cc(Br)ccc1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
Cc1ccc(Cl)cc1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccc2)c1
[O-][n+]1ccccc1C1CCN(CNC(=O)c2ccccn2)CC1
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2ccc(F)cc2C(F)(F)F)CC1
COc1cccc(C)c1NC(=O)CN1CCC(CC1)c1ccccn1
Cc1cc(C)cc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
Cc1cc(ccc1F)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1nccs1
CC(C)Oc1cccc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1
Cc1cccc(NC(=O)CN2CCC(CC2)c2cccc(F)c2)c1
Cc1ccc(cc1C(F)(F)F)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
[O-][n+]1ccccc1C1CCN(CC(=O)NC2CCCCC2)CC1
Cc1cc(C)cc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1
COc1cc(ccc1Cl)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
[O-][n+]1ccccc1C1CCN(CNC(=O)c2ccc3ccccc3c2)CC1
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2ccc(F)cc2F)CC1
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2cccc(OC(F)(F)F)c2)CC1
CSc1cccc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1
Cc1ccc(Cl)c(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1Cl
C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2[nH]1
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2cccc(Cl)c2)CC1
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2cccc(c2)-c2ccccc2)CC1
[O-][n+]1ccccc1C1CCN(CNC(=O)c2ccccc2)CC1
CCc1cccc(C)c1NC(=O)CN1CCC(CC1)c1ccccn1
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1
Cc1ccc(cc1C)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccc2F)c1
[O-][n+]1ccccc1C1CCN(CNC(=O)c2cccc(C=C)c2)CC1
Cc1cccc(Cl)c1NC(=O)CN1CCC(CC1)c1ccccn1
[O-][n+]1ccccc1C1CCN(CNC(=O)c2ccc(F)c(Cl)c2)CC1
[O-][n+]1ccccc1C1CCN(CNC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccc(O)cc2)c1
[O-][n+]1ccccc1C1CCN(Cc2nc3ccccc3[nH]2)CC1
COc1cccc(C(=O)NCN2CCC(CC2)c2cccc[n+]2[O-])c1C
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2ccccc2F)CC1
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccc(O)cn2)c1
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2ccc(F)cc2)CC1
Cc1cc(ccc1Cl)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
COc1ccccc1C1CCN(CC(=O)Nc2cccc(C)c2)CC1
Cc1ccc(cc1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-])[N+]([O-])=O
[O-][n+]1ccccc1C1CCN(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Cc1cc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])ccc1F
C(N1CCC(CC1)c1ccccn1)c1nc2ccccc2[nH]1
Cc1cc(Cl)cc(C)c1NC(=O)CN1CCC(CC1)c1ccccn1
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2cccc(c2)C(F)(F)F)CC1
Clc1cc(Cl)c(NC(=O)CN2CCC(CC2)c2ccccn2)c(Cl)c1
FC(F)(F)c1cccc(CN2CCC(CC2)NC(=O)c2cccc3ccccc23)c1
Cc1ccccc1CN1CCC(CC1)NC(=O)c1cccc2ccccc12
Cc1ccc(CN2CCC(CC2)NC(=O)c2ccc3ccccc3c2)cc1
COc1cccc(CN2CCC(CC2)NC(=O)c2cccc3ccccc23)c1
FC(F)(F)c1cccc(CN2CCC(CC2)NC(=O)c2ccc3ccccc3c2)c1
Cc1cccc(CN2CCC(CC2)NC(=O)c2cccc3ccccc23)c1
FC(F)(F)c1ccc(CN2CCC(CC2)NC(=O)c2cccc3ccccc23)cc1
FC(F)(F)c1ccc(CN2CCC(CC2)NC(=O)c2ccc3ccccc3c2)cc1
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Clc1cccc(CN2CCC(CC2)NC(=O)c2ccc3ccccc3c2)c1
Clc1ccc(CN2CCC(CC2)NC(=O)c2cccc3ccccc23)cc1
Cc1ccc(CN2CCC(CC2)NC(=O)c2cccc3ccccc23)cc1
O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc2ccccc2c1
Cc1cccc(CN2CCC(CC2)NC(=O)c2ccc3ccccc3c2)c1
Cc1ccccc1CN1CCC(CC1)NC(=O)c1ccc2ccccc2c1
O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc2ccccc2c1
Brc1cccc(CN2CCC(CC2)NC(=O)c2ccc3ccccc3c2)c1
Brc1ccc(CN2CCC(CC2)NC(=O)c2cccc3ccccc23)cc1
COc1ccc(CN2CCC(CC2)NC(=O)c2cccc3ccccc23)cc1
Clc1cccc(CN2CCC(CC2)NC(=O)c2cccc3ccccc23)c1
Clc1ccc(CN2CCC(CC2)NC(=O)c2ccc3ccccc3c2)cc1
COc1ccc(CN2CCC(CC2)NC(=O)c2ccc3ccccc3c2)cc1
[O-][N+](=O)c1ccc(CN2CCC(CC2)NC(=O)c2ccc3ccccc3c2)cc1
Brc1ccc(CN2CCC(CC2)NC(=O)c2ccc3ccccc3c2)cc1
Brc1cccc(CN2CCC(CC2)NC(=O)c2cccc3ccccc23)c1
O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12
COc1cccc(CN2CCC(CC2)NC(=O)c2ccc3ccccc3c2)c1
Clc1ccccc1CN1CCC(CC1)NC(=O)c1cccc2ccccc12
O=C(NC1CCN(CCCCc2ccccc2)CC1)c1ccc2ccccc2c1
CC(N1CCC(CC1)NC(=O)c1ccc2ccccc2c1)c1ccccc1 |w:1.0|
O=C(N1CCC(CC1)NCc1ccccc1)c1ccc2ccccc2c1
COc1cc2ccccc2cc1C(=O)NCC1CCN(Cc2ccccc2)CC1
O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc2ccccc2c1
O=C(NC1CCN(CCc2ccccc2)CC1)c1cccc2ccccc12
O=C(NC1CCN(CCCc2ccccc2)CC1)c1cccc2ccccc12
O=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc2ccccc2c1
O=C(NC1CCN(CCCCc2ccccc2)CC1)c1cccc2ccccc12
O=C(N1CCC(CC1)NCCc1ccccc1)c1ccc2ccccc2c1
O=C(N1CCC(CC1)NCCCc1ccccc1)c1ccc2ccccc2c1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1
COc1ccc(cc1OC)C1=NO[C@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11|
CCOc1ccccc1N1CCN(CCC[C@@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
COc1ccc(cc1OC)C1=NO[C@@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11|
CCOc1ccccc1N1CCN(CCC[C@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Clc1cccc(N2CCN(C[C@@H]3C[C@@H]3CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1 |w:13.14|
OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:1.0|
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 |w:13.14|
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
COc1ccc2C3N(CCCc4ccccc34)CCCc2c1 |w:6.16|
COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Oc1ccc2Cc3ccccc3CCNCCCc2c1
CN1CCCc2cc(O)ccc2Cc2ccccc2CC1
CN1CCCc2ccccc2Cc2ccc(O)cc2CC1
COc1ccc2Cc3ccccc3CCN(C)CCCc2c1
CN1CCCc2ccccc2Cc2cc(O)ccc2CC1
COc1cc2CCN(C)CCCc3ccccc3Cc2cc1OC
COc1ccc2CCN(C)CCCc3ccccc3Cc2c1
COc1ccc2Cc3ccccc3CCCN(C)CCCc2c1
CN1CCCc2ccccc2Cc2ccc(O)cc2CCC1
COc1ccc(CCN2CCCc3ccccc3C2)cc1Cl
COc1cc2C3N(CCc2cc1Cl)CCCc1ccccc31 |w:5.23|
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(O)cc1 |w:1.0|
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
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|
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1
Brc1ccc(NCCN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12|
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
Fc1ccc(cc1)C(=O)CCCN1CC2CC1CN2c1ccc(Cl)cc1 |TLB:19:18:12.13:15,11:12:15:17.18|
Fc1ccc(cc1)C(=O)CCCN1CC2CCC(C1)N2c1ccccc1
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15|
OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
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
OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C[Si](C)(C)C |c:28|
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1 |c:28|
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C |c:28|
CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C[Si](C)(C)C |c:31|
CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1 |c:31|
CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C |c:31|
CCCN(CCCCn1cc(C)nn1)C1CCC(=CC1)C#CC |c:18|
CCCNCCCCNC(=O)c1ccc(cc1)-c1ccccc1
CCCN(CCC)CCCCNC(=O)c1ccc(cc1)-c1ccccc1
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCCCC1
OC1(CC2CCC(C1)N2CC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2Cc1ccc(F)cc1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2Cc1c[nH]c2ncccc12)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(Cl)cc1
OC1(CCN(Cc2c[nH]c3ccccc23)C1)c1ccc(Cl)cc1
Clc1ccc(cc1)N1CCCN(Cc2c[nH]c3ncccc23)CC1
Clc1ccc(cc1)N1CCC2CCC(C1)N2Cc1c[nH]c2ncccc12
Fc1ccc(cc1)C(=O)CCCN1CC2CC1N(C2)c1ccc(Cl)cc1 |TLB:11:12:17.18:15,THB:19:17:15:12.13|
Clc1ccc(cc1)N1CC2CC1CN2Cc1c[nH]c2ncccc12 |TLB:4:7:10:13.12,THB:14:13:7.8:10|
OC1(CCN(Cc2c[nH]c3ncccc23)C1)c1ccc(Cl)cc1
C(N1CCN(CC1)c1ncccn1)c1c[nH]c2ncccc12
Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
CCCN[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C
CCCN[C@@H]1CCc2c(cccc2C(=O)OC)[C@@H]1C
CCCN(CCC)[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C
NCC1CC1c1cc(F)c(F)cc1OCC=C
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cc[nH]c(=O)c1
COc1ccccc1N1CCN(CCNC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cccc2C(CCCc12)NC(=O)CCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCNC(=O)C2CCCc3cccc(OC)c23)CC1
COc1ccccc1N1CCN(Cc2cccc(c2)-c2ccccc2)CC1
COc1cccc(c1)C(=O)CCCCN1CCN(CC1)c1ccccc1OC
COc1cccc2C(CCCCN3CCN(CC3)c3ccccc3OC)CCCc12
COc1cccc2C(CCCc12)C(=O)NCCN1CCN(CC1)c1ccccc1OC
OC(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1
OC(COc1ccccc1)CN1CCC(CC1)Oc1ccccc1
OC(COc1ccc(cc1)[N+]([O-])=O)CN1CCC(Cc2ccccc2)CC1
OC(COc1cccc2ccccc12)CN1CCC(CC1)Sc1ccccc1
OC(COc1cccc2ccccc12)CN1CCC(CC1)Oc1ccccc1
COC(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1
COc1ccc(CC2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1
OC(COc1cccc2ccccc12)CN1CCC(Cc2ccc(Cl)cc2)CC1
OC(COc1cccc2ccccc12)CN1CCC(Cc2ccc(F)cc2)CC1
COc1ccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)cc1
O[C@H](COc1ccccc1)CN1CCC(CC1)Oc1ccccc1
Cc1ccc(CC2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1
OC(COc1ccc(Cl)cc1)CN1CCC(Cc2ccccc2)CC1
C(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1
O[C@@H](COc1ccccc1)CN1CCC(CC1)Oc1ccccc1
CC(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1
OC(COc1ccccc1)CN1CCC(Cc2ccccc2)CC1
C(N1CCC(=CC1)c1nc2ccccc2o1)c1ccccc1 |c:4|
Clc1ccc(CN2CCC(=CC2)c2nc3ccc(Cl)cc3[nH]2)cc1 |c:9|
C(N1CCC(=CC1)c1nc2ccccc2s1)c1ccccc1 |c:4|
Clc1ccc2nc([nH]c2c1)C1=CCN(Cc2ccccc2)CC1 |t:12|
Clc1ccc(CN2CCC(=CC2)c2nc3cc(Cl)ccc3s2)cc1 |c:9|
Clc1ccc(CN2CCC(=CC2)c2nc3cc(Cl)ccc3o2)cc1 |c:9|
Clc1cccc(CN2CCC(=CC2)c2nc3ccccc3s2)c1 |c:10|
Clc1ccc2sc(nc2c1)C1=CCN(Cc2ccccc2)CC1 |t:12|
Clc1ccc(CN2CCC(=CC2)c2nc3ccccc3s2)cc1 |c:9|
Clc1ccc2oc(nc2c1)C1=CCN(Cc2ccccc2)CC1 |t:12|
Clc1ccc(CN2CCC(=CC2)c2nc3ccccc3[nH]2)cc1 |c:9|
C(N1CCC(=CC1)c1nc2ccccc2[nH]1)c1ccccc1 |c:4|
Clc1ccccc1CN1CCC(=CC1)c1nc2ccccc2s1 |c:12|
C(Oc1ccccc1)[C@@H]1CN(Cc2ncn3ccccc23)CCO1 |r|
C(Oc1ccccc1)[C@@H]1CN(Cc2cn3ccccc3n2)CCO1 |r|
CSc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1 |r|
COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1OC |r|
FC(F)(F)Oc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1 |r|
COc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1 |r|
Clc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1 |r|
Fc1cccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c12 |r|
Fc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 |r|
COc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 |r|
Clc1ccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c2c1 |r|
COc1ccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c2c1 |r|
Clc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 |r|
C(Oc1ccccc1)[C@@H]1CN(Cc2ccc3[nH]ccc3c2)CCO1 |r|
Cn1ncc2cc(CN3CCO[C@H](COc4ccccc4)C3)ccc12 |r|
FC1(F)Oc2ccc(CN3CCO[C@H](COc4ccccc4)C3)cc2O1 |r|
C(Oc1ccccc1)[C@@H]1CN(Cc2cccc3cc[nH]c23)CCO1 |r|
C(Oc1ccccc1)[C@@H]1CN(Cc2n[nH]c3ccccc23)CCO1 |r|
COc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1Cl |r|
C(CCNC1=Nc2ccccc2OC1)CCN1CCN(CC1)c1ccccc1 |t:4|
C(CNC1=Nc2ccccc2OC1)CN1CCN(CC1)c1ccccn1 |t:3|
C(CNC1=Nc2ccccc2OC1)CN1CCN(CC1)c1ncccn1 |t:3|
COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl |r|
COc1ccccc1N1CCN(CCCNC2=Nc3ccccc3OC2)CC1 |t:17|
C(CCN1CCN(CC1)c1ncccn1)CNC1=Nc2ccccc2OC1 |t:19|
C(CCN1CCN(CC1)c1ccccc1)CNC1=Nc2ccccc2OC1 |t:19|
C(CCNC1=Nc2ccccc2OC1)CCN1CCN(CC1)c1ccc2ccccc2n1 |t:4|
C(CCNC1=Nc2ccccc2OC1)CCN1CCN(CC1)c1ccccn1 |t:4|
COc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1F |r|
CN(CCCCN1CCN(CC1)c1ncccn1)C1=Nc2ccccc2OC1 |t:20|
COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1F |r|
Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1C(F)(F)F |r|
Fc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1C(F)(F)F |r|
Clc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl |r|
Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1F |r|
Fc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1Cl |r|
Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl |r|
C(Oc1ccccc1)[C@@H]1CN(Cc2ccc3ccccc3n2)CCO1 |r|
C(Oc1ccccc1)[C@@H]1CN(Cc2ccc3ccccc3c2)CCO1 |r|
COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1 |r|
Cc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1C |r|
Clc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1 |r|
Clc1ccc(CN2CCO[C@H](COc3ccccn3)C2)cc1 |r|
Fc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1 |r|
COc1ccc(CN2CCO[C@H](COc3ccc(F)cc3)C2)cc1 |r|
COc1ccc(CN2CCO[C@H](COc3cccc(F)c3)C2)cc1Cl |r|
COc1cc(CN2CCO[C@H](COc3cccc(F)c3)C2)ccc1Cl |r|
COc1ccc(CN2CCO[C@H](COc3cccc(F)c3)C2)cc1 |r|
COc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1 |r|
COc1ccc(CN2CCO[C@H](COc3ccc(OC)cc3)C2)cc1 |r|
COc1cccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)c1 |r|
COc1cc(CN2CCO[C@H](COc3cccc(c3)C#N)C2)ccc1Cl |r|
COc1ccc(CN2CCO[C@H](COc3cccc(c3)C#N)C2)cc1Cl |r|
Fc1ccc2c(CN3CCO[C@H](COc4cccc(F)n4)C3)c[nH]c2c1 |r|
Fc1cccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)n1 |r|
COc1ccc(CN2CCO[C@H](COc3cccc(F)n3)C2)cc1Cl |r|
Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1 |r|
Clc1ccc(CN2CCO[C@H](COc3cccc(Cl)n3)C2)cc1 |r|
Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1 |r|
Cc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1C |r|
CCCN1CC[C@@H]2[C@H]1CCc1ccc3ccoc3c21
CCCN(CCC)[C@@H]1CCc2c(ccc3ccoc23)[C@@H]1C
CCCN1CC[C@@H]2[C@H]1CCc1cccc(O)c21
COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 |r|
COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 |r|
COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 |r|
COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 |r|
COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
COc1cc(CCNC[C@H](O)c2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1 |r|
COc1cc(CCNC[C@@H](O)c2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1 |r|
COc1cc(CCNCCc2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r|
COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 |r|
COc1ccccc1OCCNCCc1ccc(O)c(O)c1
[H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
CC(C)NCC(O)c1ccc(O)c(O)c1
CN1CCCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:9|
CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:8|
Cc1ccc2Nc3ncccc3N=C(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c2c1 |t:13|
Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12
COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N
NC(=O)c1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Fc1ccc(SCCCN2CCc3ccccc3C2)cc1
[O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1
Fc1ccc(CCCCN2CCc3ccccc3C2)cc1
Fc1ccc(OCCCN2CCc3ccccc3C2)cc1
Fc1ccc2CC(CCN3CCc4ccccc4C3)Cc2c1
O=C1N(CCCCN2Cc3ccccc3C2)C(=O)c2ccccc12
C(CCc1c[nH]c2ccccc12)CN1CCc2ccccc2C1
O=C1N(CCCCN2CCC3CCCCC3C2)C(=O)c2ccccc12
O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1
O=C(CCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1nc2ccccc2s1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3o2)CC1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Clc1ccc2n(C3CCN(CCCCc4nc5ccccc5s4)CC3)c(=O)[nH]c2c1
Clc1ccc2n(C3CCN(CCCCC(=O)c4nc5ccccc5s4)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(CCN(CCCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCCc2nc3ccccc3o2)CC1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
Oc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1
CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
COc1ccccc1N1CCN(Cc2cc3ccccn3n2)CC1
Clc1ccc(cc1)N1CCN(CCCCCc2cc3ccccn3n2)CC1
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccccc3)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)C(N)=O |r|
C(CN1CCc2ccccc2C1)Cc1nc2ccccc2[nH]1
Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
O=C1C(CCN2CCc3ccccc3C2)Cc2ccccc12
O=C(CCCN1CCc2ccccc2C1)c1ccc2NC(=O)Cc2c1
COc1cc2CCN(CCCCc3nc4cc(Cl)ccc4s3)Cc2cc1OC
Clc1ccc(cc1)C(=O)CCCN1CCCc2ccccc2C1
Clc1ccc2sc(CCCCN3CCc4c(Cl)cccc4C3)nc2c1
Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
C(CC1=Cc2ccccc2CC1)N1CCc2ccccc2C1 |t:2|
Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
C(CC1=Cc2ccccc2C1)N1CCc2ccccc2C1 |t:2|
Fc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2CC1
CC1(C)CC(=O)N(CCCCN2Cc3ccccc3C2)C(=O)C1
CC(O)CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r|
Fc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(F)cc1
CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|
OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
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
CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CNC2CCC2)cc1 |r|
CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)C(C)=O)cc1 |r|
CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)S(C)(=O)=O)cc1 |r|
CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(=O)(=O)c1ccccc1 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(N)ccc21 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21 |r|
CCS(=O)(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31 |r|
CCNC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31 |r|
CCOC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(N)cccc21 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(Br)cccc21 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(C=O)cccc21 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(CO)cccc21 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(cccc21)C#N |r|
COC(=O)c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(O)cccc21 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1N1CCCC1=O |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(CN=O)cccc21 |r|
CO\N=C\c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31 |r|
CCO\N=C\c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\OCc3ccccc3)cccc21 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\Oc3ccccc3)cccc21 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)C#N |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)[N+]([O-])=O |r|
COc1ccc(cc1)-c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccs1 |r|
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccncc1 |r|
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
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
CCCCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
CC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
COc1ccc(cc1)N1CCN(CCCCNC(=O)C(C)(C)C)CC1
CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccccc1
CC1(CCCCC1)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
CC(C)(C)C(=O)NCCCCN1CCN2C(CCc3cc(Cl)ccc23)C1
CCCC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1
CC(C)(C)C(=O)NCCCCCN1CCN(CC1)c1ccc(Cl)cc1
CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(cc1)C(F)(F)F
CC1(CCCCC1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
CC(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Clc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(F)cc1
Clc1ccc(cc1)N1CCN(CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 |TLB:21:22:26:19.20.25,THB:23:22:19:26.24.25,23:24:19:27.22.21,21:20:26:27.22.23|
CC1CN(CCCCNC(=O)C(C)(C)C)CCN1c1ccc(Cl)cc1
CCCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Br)cc1
CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1
CCC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
CC(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Clc1ccc(cc1)N1CCN(CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23|
CC(C)(C)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1cc(Cl)ccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1
CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccccc1Cl
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|
Fc1ccc(F)c(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccccc2F)c1
[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6](-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6](\c2ccccc2)-c2ccc(F)cc2)-[#8]-1
CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O
C[C@@H]1OC(=N[C@H]1CN1CCN(CC1)c1ccccc1)c1ccccc1 |c:3|
COc1ccc(Br)cc1C1=N[C@@H](CN2CCN(CC2)c2ccccc2)CO1 |t:10|
C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
CN(C)CC1CC2N(O1)c1ccccc1Cc1ncccc21
Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccccc1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
CN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc(c1)N(CC1CC1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc(c1)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1
Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|
C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(C)cc1
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)C#N
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Cc1ccc(cc1)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)C#N
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1
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
FCCOc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc(cc2)-c2ccsc2)CC1
FCCOc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc(CCF)cc2)CC1
FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
FCCOc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OCCF
CN(C)c1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OCCF
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCOCCOCCF)cc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCF)cc2)CC1
FC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl
FC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
FC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
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,)|
OC12C3C4C5C3C(C3C5CC4C13)N2CCCC(=O)c1ccc(F)cc1 |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|
OC1(CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1)c1ccc(Cl)cc1
O=C1CCc2ccc(OCCCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2N1
Clc1ccc2n(C3CCN(CCCCOc4ccc5CCC(=O)Nc5c4)CC3)c(=O)[nH]c2c1
CN1CN(c2ccccc2)C2(CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)C1=O
COc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
FCCOc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
COc1ccc(cc1)N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
COc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c(OC)c1
COc1cc(C)ccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
FCCOc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
COc1ccccc1N1CCN(CCCOc2ccc3CCC(=O)Nc3c2)CC1
COc1ccccc1N1CCN(CCCOc2ccc3ccc(=O)[nH]c3c2)CC1
COc1ccccc1N1CCN(CCCCCOc2ccc3CCC(=O)Nc3c2)CC1
COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC |r|
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(O)c4OC |r|
COc1cc2[C@@H]3Cc4ccc(OC)c(OC)c4CN3CCc2cc1O |r|
COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc12
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC |r|
COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC
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
COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1
Fc1ccc(cc1)S(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
C(COc1ccccc1)CN1CCN(CC1)c1ccccc1
Fc1ccc(SCCCN2CCC(CC2)c2ccc(Cl)cc2)cc1
OC1(C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCC(=O)c2nc3ccccc3s2)CC1
OC1(C[C@@H]2CC[C@H](C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
CC1NCCc2cc(O)c(O)cc12
CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1
Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1 |r|
c1cc(ccc1CCN)O
CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cnccn2)c1
Fc1ccccc1-c1cccc(CN2CCN(CC2)c2ncccn2)c1
C(N1CCN(CC1)c1ncccn1)c1cccc2Cc3ccccc3-c12
COc1ccccc1-c1cccc(CN2CCN(CC2)c2ncccn2)c1
Fc1ccc(cc1)N1CCN(Cc2cncc(c2)-c2ccc(F)cc2)CC1
C(N1CCN(CC1)c1ncccn1)c1cccc2c3ccccc3oc12
COc1cccc(c1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccccn2)c1
COc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccccc2)c1
C(N1CCN(CC1)c1ncccn1)c1cccc-2c1Cc1ccccc-21
Clc1ccc(cc1)N1CCN(Cc2cnn3ccc4ccccc4c23)CC1
CN1CCN(Cc2cnn3ccccc23)CC1
C(N1CCN(CC1)C1CCCCC1)c1cnn2ccccc12
Clc1ccc(cc1)N1CCN(Cc2cnc3ncccn23)CC1
C(N1CCN(CC1)c1ccccc1)c1cnn2ccccc12
Clc1ccc(cc1)N1CCN(Cc2cnn3c2ccc2ccccc32)CC1
Ic1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Clc1cccc(c1)N1CCN(Cc2cnn3ccccc23)CC1
Clc1ccc(cc1)N1CCN(Cc2cnn3CCCCc23)CC1
Clc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1
Clc1ccc(cc1)N1CCN(Cc2cnc3ccccn23)CC1
Clc1ccc(cc1)N1CCN(CC1)C(=O)c1cnn2ccccc12
COc1cc(N(C)C(C)=O)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1
CCC[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC
COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1
CNc1cc(OC)c(cc1Cl)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1
CNc1cc(OC)c(cc1Cl)C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1C
CNc1cc(OC)c(cc1Cl)C(=O)NC[C@H]1CN(Cc2ccccc2)C[C@@H]1C
CNc1cc(OC)c(cc1Cl)C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C
CCC[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC
CNc1cc(OC)c(cc1Cl)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1
CCC[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC
CNc1cc(OC)c(cc1Cl)C(=O)NC[C@H]1CN(Cc2ccccc2)C[C@H]1C
COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1
COc1ccc(Br)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1
COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1
COc1cc(N(C)C(C)=O)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1
COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1
CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC
COc1ccc(Br)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1
C(N1CCN(CC1)c1ccccc1)c1csc(n1)-c1ccccc1
C(NC1CCN(Cc2ccccc2)CC1)c1csc(n1)-c1ccccc1
COc1ccc(Br)cc1-c1ncc(CNC[C@@H]2CCN(Cc3ccccc3)C2)[nH]1
Oc1ccc(Br)cc1-c1nc(CN2CCN(CC2)c2ccccc2)co1
COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)co1
COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)cs1
COc1ccc(Br)cc1-c1nc(CN[C@@H]2CCN(Cc3ccccc3)C2)co1
COc1ccc(Br)cc1-c1nc(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)co1
COc1ccc(Br)cc1-c1nc(CN2CCN(Cc3ccccc3)CC2)cs1
COc1c(cc(Br)c2ccccc12)-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)co1
COc1ccc(Br)cc1-c1nc(CNCC[C@@H]2CCN(Cc3ccccc3)C2)co1
COc1ccc(Br)cc1-c1nc(CN2CCN(Cc3ccccc3)CC2)co1
COc1ccc(Br)cc1-c1nc(CN2CCN(CC2)c2ccccc2)cs1
C(N1CCN(Cc2ccccc2)CC1)c1csc(n1)-c1ccccc1
C(N1CCN(CC1)c1ccccc1)c1coc(n1)-c1ccccc1
C(NC1CCN(Cc2ccccc2)CC1)c1coc(n1)-c1ccccc1
COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)co1
COc1ccc(Br)cc1-c1nc(CN2CCN(CC2)c2ccccc2)co1
COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)cs1
C(N1CCN(Cc2ccccc2)CC1)c1coc(n1)-c1ccccc1
COc1ccccc1N1CCN(CCCCOc2ccc3ccnn3c2)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3nccc3c2)CC1
COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1
COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
CCCN(CCCCOc1ccc2ccnn2c1)[C@@H]1CCc2c(O)cccc2C1 |r|
COc1ccccc1N1CCN(CCCCOc2ccn3ncc(\C=N\O)c3c2)CC1
COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1
O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1
Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C#N)c4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4nccc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
CCCN(CCCCOc1ccn2nccc2c1)[C@@H]1CCc2c(O)cccc2C1 |r|
COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(\C=N/O)c3c2)CC1
COc1ccccc1N1CCN(CCCCOc2ccn3nc(C=O)cc3c2)CC1
CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
CCCN(CCCCOc1ccc2c(\C=N\O)cnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
CCOc1ccccc1N1CCN(CCCCc2cc(no2)-c2cccs2)CC1
CCOc1ccccc1N1CCN(CCCCc2cc([n-][o+]2)-c2cccc(c2)[N+]([O-])=O)CC1
COc1ccc(-c2cc(CCCCN3CCN(CC3)c3ccccc3OC)on2)c(OC)c1
C(CCc1cc(no1)-c1cccs1)CN1CCN(CC1)c1ccccc1
Fc1ccc(cc1)-c1cc(CCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)on1
COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)on1
C(CCc1cc(no1)-c1cccs1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
C(CCc1cc(\C=C\c2ccccc2)no1)CN1CCN(CC1)c1ccccc1
COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2F)on1
COc1ccc(-c2cc(CCCCN3CCN(CC3)c3ccccc3)on2)c(OC)c1
Fc1ccccc1N1CCN(CCCCc2cc(\C=C\c3ccccc3)no2)CC1
[O-][N+](=O)c1cccc(c1)-c1cc(CCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)[o+][n-]1
COc1ccc(-c2cc(CCCCN3CCN(CC3)C(c3ccccc3)c3ccccc3)on2)c(OC)c1
COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2OC)on1
[O-][N+](=O)c1cccc(c1)-c1cc(CCCCN2CCN(CC2)c2ccccc2)[o+][n-]1
C(CCc1cc(no1)-c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
C(CCc1cc(no1)-c1ccccc1)CN1CCN(CC1)c1ccccc1
COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2)on1
COc1ccccc1N1CCN(CCCCc2cc(\C=C\c3ccccc3)no2)CC1
CCOc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCc2cc(no2)-c2cccs2)CC1
CCOc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccc(OC)c(OC)c2)CC1
COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2C)on1
COc1ccccc1N1CCN(CCCCc2cc([n-][o+]2)-c2cccc(c2)[N+]([O-])=O)CC1
Fc1ccc(cc1)-c1cc(CCCCN2CCN(CC2)c2ccccc2)on1
COc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccccc2)CC1
Cc1ccccc1N1CCN(CCCCc2cc(no2)-c2cccs2)CC1
Cc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccccc2)CC1
C(CCc1cc(\C=C\c2ccccc2)no1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccc(F)cc2)CC1
CCCN(CCCCOc1ccc2c(C=O)cnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
COc1ccccc1N1CCN(CCCCOc2ccn3nccc3c2)CC1
CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
COc1ccccc1N1CCN(CCCCOc2ccn3nc(CO)cc3c2)CC1
COc1ccccc1N1CCN(CCCCOc2ccc3c(C=O)cnn3c2)CC1
CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
COc1ccccc1N1CCN(CCCCOc2ccn3nc(cc3c2)C#N)CC1
CCCN(CCCCOc1ccn2ncc(C=O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r|
C(N1CCN(CC1)c1ccccc1)c1ccc[nH]1
C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)C#Cc1ccccc1
FC(F)(F)c1nc2ccc3CCC(CNCc4ccccc4)Oc3c2[nH]1
C(NCc1ccccc1)[C@H]1CCc2ccc3[nH]ccc3c2O1
O=c1[nH]c2ccc3CCC(CNCc4ccccc4)Oc3c2[nH]1
O=c1[nH]c2ccc3CC[C@@H](CNCc4ccccc4)Oc3c2[nH]1
O=c1[nH]c2ccc3CC[C@H](CNCc4ccccc4)Oc3c2[nH]1
O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
C[Si](C)(C)c1cccc2c(CN3CCN(CC3)c3ccc(Cl)cc3)cnn12
Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)-c1ccccc1
Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)-c1ccc(F)cc1
Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)C#C)CC1
Clc1ccc(cc1)N1CCN(Cc2cnn3c(C=O)cccc23)CC1
Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)N2CCN(Cc3ccccc3)CC2)CC1
OCc1ccc2c(CN3CCN(CC3)c3ccc(Cl)cc3)cnn2c1
Cc1cccc2c(CN3CCN(CC3)c3ccc(Cl)cc3)cnn12
Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)-c2ccccc2)CC1
OCc1cccn2ncc(CN3CCN(CC3)c3ccc(Cl)cc3)c12
Cc1cccn2ncc(CN3CCN(CC3)c3ccc(Cl)cc3)c12
Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#C
Fc1ccc(cc1)-c1cccc2c(CN3CCN(CC3)c3ccc(Cl)cc3)cnn12
O=C1C[C@@H](CN2CCN(CC2)c2ccccc2)NC(=N1)c1ccccc1 |c:20|
COc1ccc(Br)cc1C1=N[C@H](CN2CCN(CC2)c2ccccc2)CCN1 |t:10|
COc1ccc(Br)cc1C1=N[C@@H](CN2CCN(CC2)c2ccccc2)CCN1 |t:10|
O=C1C[C@H](CN2CCN(CC2)c2ccccc2)NC(=N1)c1ccccc1 |c:20|
C1CN(CCN1[C@@H]1CCNC(=NC1)c1ccccc1)c1ccccc1 |c:11|
C1CN(CCN1[C@H]1CCNC(=NC1)c1ccccc1)c1ccccc1 |c:11|
C([C@@H]1CCNC(=N1)c1ccccc1)N1CCN(CC1)c1ccccc1 |c:5|
CCN(C)C1CCCc2ccncc12
Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12
Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCCOc12
Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12
Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)oc12
Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12
Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)oc12
Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12
Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCCOc12
Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12
CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1
Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12
Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)oc12
Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2cccnc12
Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12
Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2cccnc12
CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1
C(N1CCN(CC1)c1ccccn1)c1ccn(c1)-c1ccccc1
C(N1CCC(CC1)c1ccccc1)c1ccn(c1)-c1ccccc1
OC1(CCN(Cc2ccn(c2)-c2ccccc2)CC1)c1cccc(c1)C(F)(F)F
C(N1CCC(=CC1)c1ccccc1)c1ccn(c1)-c1ccccc1 |c:4|
OC1(CCN(Cc2ccn(c2)-c2ccccc2)CC1)c1ccc(Cl)cc1
O=C1NCN(c2ccccc2)C11CCN(Cc2ccn(c2)-c2ccccc2)CC1
C(N1CCN(CC1)c1ccccc1)c1ccn(c1)-c1ccccc1
O=c1[nH]c2ccccc2n1C1CCN(Cc2ccn(c2)-c2ccccc2)CC1
[#6]-[#7]-1-[#6]-[#6]-[#6](=[#6]-[#6]-1)-[#6]-1=[#6]-c2ccccc2\[#6](=[#6](/[#6])-[#6])-c2ccc(Cl)cc-12 |c:4,t:8|
CN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:4,t:8|
CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:5,t:9|
C=CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:6,t:10|
CN1CCC(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
CN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:4,t:8|
C=CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:6,t:10|
CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:5,t:9|
COc1cccc2CC(CCc12)N(C)C
CCCN(CCc1cccs1)[C@@H]1CCc2ccc(OC)cc2C1
CCCNC1CCc2c(C1)cccc2OC
CCCN(CCC)[C@@H]1CCc2ccc(OC)cc2C1
CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
CCN(C)C1CCc2ccc(O)cc2C1
CCCN(CCc1cccs1)[C@H]1CCc2ccc(OC)cc2C1
COc1cccc2CC(N)CCc12
CCCN(CCc1ccsc1)C1CCc2c(O)cccc2C1
CCCN1COC[C@H]2[C@H]1COc1ccc(O)cc21
CCNC1CCc2c(C1)cccc2OC
CCCN[C@H]1CCc2ccc(OC)cc2C1
CCCCNC1CCc2c(C1)cccc2OC
CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
CCCN(CCC)[C@H]1CCc2ccc(OC)cc2C1
CCCNC1CCc2ccc(O)cc2C1
CCCN(CCc1cccs1)C1CCc2c(C1)cccc2OC1CCCC1
CCN(CC)C1CCc2c(C1)cccc2OC
CCCN(CCc1cccs1)[C@H]2CCc3c(cccc3O)C2
CCCN(CCc1ccccc1)C1CCc2ccc(O)cc2C1
NC1CCc2c(O)cccc2C1
NC1CCc2ccc(O)cc2C1
CCCNC1CCc2c(O)cccc2C1
CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1
CCCN(C)C1CCc2ccc(O)cc2C1
CCCN(CCC)[C@@H]1CCc2c(O)cccc2C1
CN(C)C1CCc2ccc(O)cc2C1
CCCN[C@@H]1CCc2ccc(OC)cc2C1
CCCN(CCC)C1CCc2c(C1)cccc2OC
CNC1CCc2c(C1)cccc2OC
COc1ccc2CCC(N)Cc2c1
Oc1ccc2CC[C@@H](CN3CCc4ccccc4C3)Oc2c1
Oc1cc2O[C@@H](CNCc3ccccc3)CCc2cc1Cl
Oc1cc2O[C@H](CNCc3ccccc3)CCc2cc1Cl
Oc1ccc2CCC(CNCc3ccccc3)Oc2c1
Oc1ccc2CCC(CN3CCc4ccccc4C3)Oc2c1
Oc1ccc2CC[C@@H](CNCc3ccccc3)Oc2c1
Oc1ccc2CC[C@H](CN3CCc4ccccc4C3)Oc2c1
Oc1cc2OC(CNCc3ccccc3)CCc2cc1Cl
O=C1COc2ccc(CN3CCN(CC3)c3ccccc3)cc2N1
Cc1ccc(cc1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Clc1ccc(cc1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
O=C1COc2cc(CN3CCN(CC3)c3ccccc3)ccc2N1
Cc1ccc(cc1C)C1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Cc1ccc(cc1C)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
COc1ccc(cc1)C1CCN(Cc2ccc3NC(=O)COc3c2)CC1
COc1ccc(cc1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
COc1ccc(cc1)C1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
COc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Cc1ccc(cc1)C1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Cc1ccc(cc1C)C1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc(cc1)C1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc(cc1C)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
CCCN1CCO[C@@H]2[C@@H]1CSc1ccc(O)cc21
CCCN1CCOC2C1CSc1ccc(O)cc21
CCCN1CCO[C@H]2[C@H]1COc3c2cc(cc3)O
CCCN1CCOC2C1CS(=O)c1ccc(O)cc21
CCCN1CCO[C@H]2[C@@H]1CSc1ccc(O)cc21
CCCN1CCO[C@H]2[C@H]1CSc1ccc(O)cc21
CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1
CCCNC1Cc2cc3nc(N)sc3cc2C1
CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Cc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
C([C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1cccnc1 |r|
Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
COc1cccc(c1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
COc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Fc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1 |r|
C([C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1ccccc1
COc1ccc(cc1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Cc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl |r|
Oc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl |r|
Fc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccccc1Cl |r|
Clc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(Cl)c1
Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1 |r|
COc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
C([C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1ccncc1 |r|
Clc1cccc(c1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
COc1c(Cl)cc(cc1Cl)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1
Clc1cc(Cl)cc(c1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
C([C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1ncccn1 |r|
C([C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1ccccn1 |r|
Clc1ccc(cc1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
COc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl |r|
COc1ccc(Cl)cc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Clc1ccc(cc1Cl)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Fc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1cccc(Cl)c1 |r|
Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc(cc1)N1CCN(Cc2cc3cc(ccc3[nH]2)C#N)CC1
N#Cc1ccc2cc(CN3CCN(CC3)c3ccccc3)[nH]c2c1
Clc1ccc(cc1Cl)N1CCN(Cc2cc3cc(ccc3[nH]2)C#N)CC1
Clc1ccccc1N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
Clc1ccc(cc1)N1CCN(Cc2cc3cc(ccc3[nH]2)C#N)CC1
Clc1ccccc1N1CCN(Cc2cc3cc(ccc3[nH]2)C#N)CC1
Clc1ccc(cc1Cl)N1CCN(Cc2cc3ccc(cc3[nH]2)C#N)CC1
Clc1ccc(cc1Cl)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
N#Cc1ccc2[nH]cc(CN3CCN(CC3)c3ccccc3)c2c1
N#Cc1ccc2[nH]c(CN3CCN(CC3)c3ccccc3)cc2c1
Clc1ccccc1N1CCN(Cc2cc3ccc(cc3[nH]2)C#N)CC1
CCCN(CCC)C1CCC(=CC1)C#Cc1ccccc1 |c:10|
[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\C#C[Si]([#6])([#6])[#6])C#C[Si]([#6])([#6])[#6]
CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
CCCN(CCC)C1CCC(=CC1)C#C |c:10|
[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/C#N)C#N
[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\C#Cc1ccccc1)C#Cc1ccccc1
CCCN(CCC)C1CCC(=CC1)C#N |c:10|
CCCN(CCC)C1CCC(CC1)=CC#N
[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/C#C)C#C
O=C(NCCCN1CCN(CC1)c1ccccc1)C1c2ccccc2-c2ccccc12
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1cc2ccccc2[nH]1)c1ccc(F)cc1 |TLB:8:9:16:12.13,THB:17:16:9.15.10:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
CN1C2CCC1CC(C2)OC1c2ccccc2Cc2ccccc12 |THB:9:7:1:3.4,0:1:7.6.8:3.4|
Fc1ccc(cc1)C(OCCOC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:11:12:19:15.16|
Clc1cccc(N2CCN(CCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Fc1ccc(cc1)C(OCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 |THB:10:11:17.16.18:13.14,19:17:11:13.14|
OC1CCc2c(C1)c1ccccc1n2CCCN1CCN(CC1)c1ccccc1
O=C(NCCCN1CCN(CC1)c1ccccc1)c1cccc2C(=O)c3ccccc3-c12
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
O=C(NCCCN1CCN(CC1)c1ccccc1)c1cccc-2c1Cc1ccccc-21
Clc1cccc(c1)C(OC1CC2CCC(C1)N2CCCc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,THB:17:16:9.15.10:12.13|
Clc1cccc(N2CCN(CCCCCN3C(=O)c4ccccc4C3=O)CC2)c1Cl
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1cccc2ccccc12)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4Cc5ccccc5-c4c3)CC2)c1Cl
O=C(NCCCN1CCN(CC1)c1ccccc1)c1ccc-2c(Cc3ccccc-23)c1
Clc1cccc(N2CCN(CCCCNC(=O)C3c4ccccc4-c4ccccc34)CC2)c1Cl
Clc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3cccc4C(=O)c5ccccc5-c34)CC2)c1Cl
Clc1cccc(N2CCN(CCCNC(=O)c3cccc4C(=O)c5ccccc5-c34)CC2)c1Cl
Clc1cccc(N2CCN(CCCNC(=O)C3c4ccccc4-c4ccccc34)CC2)c1Cl
Clc1cccc(N2CCN(CCCCCNC(=O)c3cccc4C(=O)c5ccccc5-c34)CC2)c1Cl
Clc1cccc(N2CCN(CCCNC(=O)c3cccc-4c3Cc3ccccc-43)CC2)c1Cl
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O
O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1
O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Cc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O
O=c1ccc2ccc(NCCNc3ccccc3)cc2o1
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
C(N1CCN(CC1)c1ccccc1)c1c[nH]c2ncccc12
Clc1ccccc1CCN1CCN(CC1)c1[nH]nc-2c1CCc1ccccc-21
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)[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|
COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1
COc1ccccc1N1CCN(CCCCCNC(=O)c2cc3ccccn3n2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccccc23)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
COc1ccccc1N1CCN(CCNC(=O)c2cc3ccccn3n2)CC1
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccn3n2)CC1
Clc1cccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4[Te]3)CC2)c1Cl |t:17|
COc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)CC1
COc1ccccc1N1CCN(CCCCNC(=O)C2=Cc3ccccc3[Te]2)CC1 |t:20|
COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1
CCOc1ccccc1CC1CN(Cc2ccc(Cl)cc2)CCCO1
Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Cc1ccc(cc1C)N1CCN(CCC2C(=O)Nc3ccccc23)CC1
CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1
C(Oc1ccccc1)C1CN(Cc2c[nH]c3ccccc23)CCO1
C(Cc1ccccc1)C1CN(Cc2c[nH]c3ccccc23)CCO1
COc1cccc(c1)C(=O)NCCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc2ccccc12
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3c[nH]c4ccccc34)CC2)c1Cl
COc1cccc(c1)C(=O)NCCCCCN1CCN(CC1)c1ccccc1OC
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1Cl
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nccc2ccccc12
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
COc1ccc(cc1)N1CCN(CCNC(=O)c2cccc(OC)c2)CC1
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3[nH]nc4ccccc34)CC2)c1Cl
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(F)cc1
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3ccnc4ccccc34)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)CC2)c1Cl
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc2ccccc12
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCC#N)CC3)c2c1)-c1ccc(F)cc1
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Cn1ccc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CN1CCC(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3ccc(cc23)-c2ncn(C)n2)C1=O
Fc1ccc(cc1)-n1cc(C2CCN(CCC#N)CC2)c2cc(ccc12)-c1ncccn1
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
CS(=O)(=O)c1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
C[C@H]1CN(CCN1Cc1nc2ccccc2[nH]1)c1ccccn1
C(N1CCC(=CC1)c1ccccn1)c1nc2ccccc2[nH]1 |c:4|
COc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
CSc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Fc1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
N#Cc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
N#Cc1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Cc1ccc(C)c(c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
C[C@@H]1CN(CCN1Cc1nc2ccccc2[nH]1)c1ccccn1
Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1
Fc1ccc2nc(CN3CCN(CC3)c3ccccn3)[nH]c2c1
C(Cc1nc2ccccc2[nH]1)N1CCN(CC1)c1ccccn1
C(N1CCN(CC1)c1ncccn1)c1nc2ccccc2[nH]1
Fc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
C(N1CCC(=CC1)c1ccccc1)c1nc2ccccc2[nH]1 |c:4|
CCOc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
[O-][N+](=O)c1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Cc1cccc(n1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
COc1ccccc1C1CCN(Cc2nc3ccccc3[nH]2)CC1
C(N1CCN(CC1)c1ccccc1)c1nc2ccccc2[nH]1
Brc1cc(Br)c2[nH]c(CN3CCN(CC3)c3ccccn3)nc2c1
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)C1
COCOc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Oc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
C(N1CCN(CC1)c1cccnc1)c1nc2ccccc2[nH]1
COc1ccc(cc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Clc1cccc(c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Clc1ccccc1N1CCN(Cc2nc3ncccc3[nH]2)CC1
Fc1ccc(cc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
C(N1CCN(CC1)c1ccncc1)c1nc2ccccc2[nH]1
COc1cccc(c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Clc1ccc(cc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
OC1(CC2CCC(C1)N2Cc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.7.2:4.5,0:1:8:4.5|
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccc(Cl)cc1 |TLB:11:12:18.19.17:14.15|
OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:0:1:8:4.5,9:8:1.7.2:4.5|
OC1(CC2CCC(C1)N2CC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:0:1:8:4.5,9:8:1.7.2:4.5|
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cccc4Cc5ccccc5-c34)CC2)c1Cl
[Fe]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
[Ru]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
[Ru]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
c1cc(OC)c(N2CCN(CC2)CCCCNC(\C=C(/C)C23C4=C5C6=C2[Fe]34562345C6C2=C3C4=C56)=O)cc1 |c:23,25,35,39,(17.57,4.15,;17.57,2.6,;16.23,1.82,;16.23,.3,;17.57,-.48,;14.9,2.6,;13.56,1.82,;13.57,.3,;12.21,-.48,;10.88,.3,;10.9,1.85,;12.23,2.61,;9.55,-.45,;8.21,.32,;6.87,-.45,;5.54,.33,;4.19,-.43,;2.86,.34,;1.53,-.43,;.19,.34,;.19,1.89,;-1.14,-.43,;-1.14,-1.57,;-2.22,-1.93,;-2.89,-1.01,;-2.22,-.09,;-3.45,-1.88,;-5.63,-3.73,;-4.55,-4.08,;-3.9,-3.16,;-4.56,-2.24,;-5.63,-2.6,;2.86,1.89,;14.9,4.14,;16.23,4.93,)|
c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)|
[Fe]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12
CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
Clc1ccccc1S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
CN[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1
COc1cc2[C@H]([C@H](N)Cc2cc1F)c1ccccc1
CN[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1
CCCN(C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1
CCCN(CCC)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1
CN[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1
CCCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1
CN(CC=C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1
N[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1
COc1cc2[C@H]([C@@H](Cc2cc1F)N(C)CC=C)c1ccccc1
CCCN(CCC)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1
CCCN(CCC)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1
CN[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1
COc1cc2C[C@@H](N)[C@@H](c2cc1F)c1ccccc1
COc1cc2C[C@H]([C@@H](c2cc1F)c1ccccc1)N(C)C
CCCN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1
COc1cc2[C@H]([C@@H](Cc2cc1F)N(C)C)c1ccccc1
CCCN(CCC)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1
CN(CC=C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1
CCCN(C)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1
CN(C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1
COc1cc2C[C@H]([C@@H](c2cc1F)c1ccccc1)N(C)CC=C
N[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1
CCCN(CCC)[C@H]1CCn2nccc2C1
CCCN(CCC)C1CCn2ncc(Cl)c2C1
CCCN(CCC)C1CCn2ncc(C=O)c2C1
CCCN(CCC)C1CCn2nccc2C1
CCCN(CCC)C1CCn2ncc(C(=O)OC)c2C1
CCCNC1CCn2ncc(C(=O)OC)c2C1
CCCN(CCC)[C@@H]1CCn2nccc2C1
CCCN(CCC)C1CCn2ncc(CO)c2C1
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
Cc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
COc1cccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)c1
FC(F)(F)Oc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
O=C(N[C@H]1CCN(Cc2ccc3OCOc3c2)C1)c1ccc(cc1)-c1cccs1
Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1F
Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
Fc1ccccc1CN1CC[C@@H](C1)NC(=O)c1ccc(cc1)-c1cccs1
FC(F)(F)c1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Clc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
FC(F)(F)c1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
FC(F)(F)Oc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
FC(F)(F)c1cccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)c1
Clc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1Cl
C(C1CC1)N1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
CN1CCc2ccccc2Cc2ccc(O)cc2CC1
CN1CCc2ccccc2Cc2ccccc2CC1
CN1CCc2sccc2Cc2ccccc2CC1
CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1
CN1CCc2c(Cc3ccccc3CC1)ccn2C
COc1cc2CCN(C)CCc3ccccc3Cc2cc1OC
CCN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Fc1ccc(cc1)N1CCN(Cc2cn3ccncc3n2)CC1
COc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1
COc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1
Fc1ccc(cc1)N1CCN(Cc2cn3cccnc3n2)CC1
Clc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
Fc1ccc(cc1)N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1
Clc1ccc(cc1Cl)N1CCN(Cc2cn3cc(Br)ccc3n2)CC1
Clc1ccc(cc1Cl)N1CCN(Cc2cn3ccccc3n2)CC1
CN1CCN(CC1)c1ccc2nc(CN3CCN(CC3)c3ccc(Cl)c(Cl)c3)cn2n1
COc1ccccc1N1CCN(Cc2cn3ccccc3n2)CC1
COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-n4cccn4)c3n2)CC1
COc1ccccc1N1CCN(Cc2cn3cc(C)cc(Br)c3n2)CC1
Clc1ccc(cc1)N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1
Clc1ccc2nc(CN3CCN(CC3)c3ccc(Cl)c(Cl)c3)cn2n1
COc1ccccc1N1CCN(Cc2cn3cc(C)cc(I)c3n2)CC1
COc1ccccc1N1CCN(Cc2cn3cc(Br)ccc3n2)CC1
COc1ccccc1N1CCN(Cc2cn3cc(C)cc(C#N)c3n2)CC1
Fc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-c4ccccc4)c3n2)CC1
COc1ccccc1N1CCN(Cc2cn3cc(C)cc(N4CCOCC4)c3n2)CC1
COc1ccccc1N1CCN(Cc2cn3c(cccc3n2)-n2cccn2)CC1
Clc1ccc(cc1Cl)N1CCN(Cc2cn3nc(ccc3n2)N2CCCCC2)CC1
Oc1cc2OC[C@@H]3NCc4ccccc4[C@H]3c2cc1O
Oc1cc2OC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
CCCN1Cc2ccccc2C2C1COc1cc(O)c(O)cc21
Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12
CN1CCN(CC1)c1ccc(O)c2[nH]c(=O)ccc12
Oc1ccc(N2CCNCC2)c2ccc(=O)[nH]c12
CCCN1CCN(CC1)c1ccc(O)c2[nH]c(=O)ccc12
Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2OCC(=O)Nc12
Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2ccc(=O)[nH]c12
CN1CCN(CC1)c1ccc(O)c2OCCOc12
Oc1ccc(N2CCCNCC2)c2OCC(=O)Nc12
Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2OCCOc12
CN1CCCN(CC1)c1ccc(O)c2NC(=O)COc12
CN1CCN(CC1)c1ccc(O)c2NC(=O)COc12
O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4[nH]c(=O)ccc34)cc12
CCCN1CCN(CC1)c1ccc(O)c2OCCOc12
Oc1ccc(N2CCNCC2)c2OCC(=O)Nc12
CCCN1CCN(CC1)c1ccc(O)c2NC(=O)COc12
Oc1ccc(N2CCNCC2)c2OCCOc12
O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4OCCOc34)cc12
CCCN1CCCN(CC1)c1ccc(O)c2NC(=O)COc12
O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccccc1
CCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O
CCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1
O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1
CC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
COc1cccc(CCC2=NCCN2CCc2ccccc2)c1 |t:9|
COc1ccc(Cl)cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 |r|
O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1
CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
COc1ccccc1N1CCN(CCC(O)CNC(=O)c2cc3ccccc3[nH]2)CC1
OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1cc2ccccc2[nH]1
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3o2)CC1
OC(CCNC(=O)c1cc2cc(I)ccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1
OC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccc2[nH]c(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1
OC(CCNC(=O)c1cc2cc(I)ccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1
OC(CCNC(=O)c1cc2cc(F)ccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl
FCCOc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1
CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
COc1ccc2C3N(CCc4ccccc34)CCc2c1
Oc1ccc2C3N(CCc4ccccc34)CCc2c1
COc1ccc2Cc3ccccc3CCN(C)CCc2c1
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r|
COc1ccc2C3Cc4ccccc4CN3CCc2c1
Oc1ccc2C3Cc4ccccc4CN3CCc2c1
COc1ccc2CCc3ccccc3CN(C)CCc2c1
CN1CCc2cc(O)ccc2CCc2ccccc2C1
COc1ccc2C3N(Cc4ccccc34)CCCc2c1
COc1ccc2Cc3ccccc3CN(C)CCCc2c1
CN1CCCc2cc(O)ccc2Cc2ccccc2C1
CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1
CN1CCc2cc(O)ccc2C1Cc1ccccc1C
CCc1cc(OC)ccc1C1Cc2ccccc2CN1C
COc1ccc2C(Cc3ccccc3C)N(C)CCc2c1
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c2c1
COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c12
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1
FCCN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O
CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O
O=c1[nH]c2ccccc2n1C1CCN(Cc2csc3ccccc23)CC1
O=c1[nH]c2ccccc2n1C1CCN(Cc2coc3ccccc23)CC1
OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(I)cc1
OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Br)cc1
OC1(CCN(Cc2cc3ccccc3s2)CC1)c1ccccc1
OC1(CCN(Cc2cc3ccccc3o2)CC1)c1ccc(I)cc1
OC1(CCN(Cc2cc3ccccc3o2)CC1)c1ccc(Br)cc1
CSc1ccc(cc1)C1(O)CCN(Cc2c[nH]c3ncccc23)CC1
OC1(CCN(Cc2c[nH]c3ncccc23)CC1)c1ccc(I)cc1
OC1(CCN(Cc2c[nH]c3ncccc23)CC1)c1ccc(Br)cc1
COc1ccc2[nH]cc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)c2c1
COc1cccc2[nH]cc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)c12
OC1(CCN(Cc2c[nH]c3ccc(OCCF)cc23)CC1)c1ccc(Br)cc1
OC1(CCN(Cc2c[nH]c3cccc(OCCF)c23)CC1)c1ccc(Br)cc1
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccccc3)c2c1
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c2c1
COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c12
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(I)cc1
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Cl)cc3)c2c1
COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Cl)cc3)c12
FCCn1cc(CN2CN(c3ccccc3)C3(CCN(Cc4coc5ccccc45)CC3)C2=O)nn1
CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Oc2ncccc12 |t:8|
Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(Cc2ccccc2)CC1 |c:13|
Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CCc2ccccc2)CC1 |c:13|
Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CC1)C1CCCCC1 |c:13|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
O=C(CCCCN1Cc2ccccc2C1)c1nc2ccccc2s1
Clc1ccc(cc1)N1CCN(CCCCC(=O)c2nc3ccccc3s2)CC1
O=C(CCCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
O=C(CCCCN1CCN(CC1)c1ccccc1)c1nc2ccccc2s1
O=C(CCCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
C(CCc1nc2ccccc2s1)CN1CCc2ccccc2C1
C(CCc1nc2ccccc2s1)CN1Cc2ccccc2C1
Clc1ccc(cc1)N1CCN(CCCC(=O)c2nc3ccccc3s2)CC1
O=C(CCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
O=C(CCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
O=C(N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1)c1cnc2ccccc2n1 |c:8|
O=C(N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1)c1cccc2ccccc12 |c:8|
O=C(N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1)c1ccc2ccccc2c1 |c:8|
O=C(N(CCN1CCN(CC1)c1ccccc1)c1ccccn1)c1cnc2ccccc2n1
O=C(N(CCN1CCN(CC1)c1ccccc1)c1ccccn1)c1cccc2ccccc12
O=C(N(CCN1CCN(CC1)c1ccccc1)c1ccccn1)c1ccc2ccccc2c1
COc1ccccc1N1CCN(CCN(C(=O)c2cnc3ccccc3n2)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)c2cccc3ccccc23)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)c2ccc3ccccc3c2)c2ccccn2)CC1
O[Si]1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |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|
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21
Clc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Cn1c(CN2CCC(CC2)c2ccccc2)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ccc(Cl)cc2)nc2ccccc12
Cn1c(CN2CCC(CC2)c2cccc(c2)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCC(CC2)c2cccc(Cl)c2)nc2ccccc12
Cn1c(CN2CCC(CC2)c2nc3ccccc3s2)nc2ccccc12
Cn1c(CN2CCC(CC2)c2nsc3ccccc23)nc2ccccc12
Cn1c(CN2CCC(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccc(cn2)C(F)(F)F)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccccc2C(F)(F)F)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
Cn1c(CN2CCN(CC2)c2nc3ccccc3s2)nc2ccccc12
Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2F)nc2ccccc12
CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12
CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
CCCCCCCCCCN1CCC(C1)c1cccc(O)c1
CCCCN1CCC(C1)c1cccc(O)c1
CCCCCCN1CCC(C1)c1cccc(O)c1
CCCCCCCCCN1CCC(C1)c1cccc(O)c1
CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
CCCCCCCN1CCC(C1)c1cccc(O)c1
CCCCCCCCN1CCC(C1)c1cccc(O)c1
CCCCCN1CCC(C1)c1cccc(O)c1
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(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
[#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(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
COc1cc2CCN(CCCCNC(=O)c3ccc(Cl)cc3)Cc2cc1O
COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)Cc2cc1O
COc1ccc(cc1)C(=O)NCCCCN1CCc2cc(OC)c(O)cc2C1
COc1cc2CCN(CCCCNC(=O)c3ccc(I)cc3)Cc2cc1O
COc1cc2CCN(CCCCNC(=O)c3ccnc4ccccc34)Cc2cc1O
COc1cccc(c1)C(=O)NCCCCN1CCc2cc(OC)c(O)cc2C1
COc1cc2CCN(CCCCNC(=O)c3ccc4ccccc4c3)Cc2cc1O
COc1cc2CCN(CCCCNC(=O)c3ccncc3)Cc2cc1O
COc1cc2CCN(CCCCNC(=O)c3ccc(O)cc3)Cc2cc1O
COc1cc2CCN(CCCCNC(=O)c3ccc(F)cc3)Cc2cc1O
COc1cc2CCN(CCCCNC(=O)c3ccc(Br)cc3)Cc2cc1O
COc1cc2ccccc2cc1OCCC1CCN(Cc2ccccc2)CC1
COc1cc2ccccc2cc1OC(=O)CC1CCN(Cc2ccccc2)CC1
COc1cc2ccccc2cc1C(=O)NC1CCN(Cc2ccccc2)C1
COc1cc2ccccc2cc1COCC1CCN(Cc2ccccc2)CC1
COc1cc2ccccc2cc1CC(=O)CC1CCN(Cc2ccccc2)CC1
COc1cc2ccccc2cc1C(=O)CCC1CCN(Cc2ccccc2)CC1
COc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)C1
COc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)CC1
Clc1ccc(cc1)C(=O)OCC1CCN(Cc2ccccc2)CC1
CCN1CCN(Cc2cnn3ccccc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(Cc2cnn3ccccc23)CC1
Clc1ccc(cc1)N1CCN(Cc2ccccc2)CC1
Clc1cccc(c1)N1CCN(Cc2cnn3ccc4ccccc4c23)CC1
Clc1ccc(cc1)N1CCN(Cc2cc[nH]c2)CC1
Clc1ccc(cc1)N1CCN(Cc2cnn3c(I)cccc23)CC1
Clc1cccc(c1)N1CCN(Cc2cnn3c2ccc2ccccc32)CC1
Clc1ccc(cc1)N1CCN(Cc2ccc[nH]2)CC1
C#Cc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Clc1ccc(cc1Cl)N1CCN(Cc2cnn3ccccc23)CC1
Fc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Clc1ccc(cc1)N1CCN(Cc2cc3ccccc3[nH]2)CC1
OCc1ccc2c(CN3CCN(CC3)c3ccccc3)cnn2c1
OCCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCC[n+]1ccc(cc1)-c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
OC(C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
CN(CCCC(O)c1ccc(Cl)cc1)CCCC(=O)c1ccc(F)cc1
OCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
OC1(Cc2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1
OC1(CCCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OCC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(C1)c1ccc(Cl)cc1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)C=Cc1ccccc1
O=C(C=Cc1ccccc1)N(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)Cc1cccnc1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1
Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
Brc1ccc(-[n+]2cc[n+](Cc3ccccc3)cc2)c2cc[nH]c12
Clc1ccc2[nH]ccc2c1-[n+]1cc[n+](Cc2ccccc2)cc1
FC(F)(F)c1nc2c(cccc2[nH]1)-[n+]1cc[n+](Cc2ccccc2)cc1
C(c1ccccc1)[n+]1cc[n+](cc1)-c1cccc2[nH]cnc12
C(c1ccccc1)[n+]1cc[n+](cc1)-c1cccc2[nH]ccc12
Clc1ccc(cc1)-n1cc(COCCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CCCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CCCCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(COCCN2CCN(CC2)c2ccccc2)cn1
COc1ccc2[nH]c(cc2c1)C(=O)NCC=CCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(OCCOCCOCCF)ccc3[nH]2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(OCCF)ccc3[nH]2)CC1
COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(OCCOCCF)ccc3[nH]2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
COc1ccccc1N1CCN(CCCCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(cc2)-c2ccccc2)c2ccc(F)cc2)CC1
COc1ccc(cc1)N(Cc1cccc(F)c1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
O=C(NCCCN1CCN(CC1)c1ncccn1)NN(Cc1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)\N=N\c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2F)c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccc(F)cc2)CC1
COc1cccc(CN(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c2ccc(F)cc2)c1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2F)c2ccc(Cl)cc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(Cl)cc2Cl)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(cc2)C#N)c2ccc(Cl)cc2Cl)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2F)c2ccc(Br)cc2)CC1
COc1ccc(cc1)N(Cc1ccccc1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
COc1ccc(cc1)N(Cc1ccc(F)cc1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
COc1ccc(cc1)N(Cc1cccc(OC)c1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
COc1ccc(cc1)N(CC=C)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
Clc1ccc(cc1)N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Brc1ccc(cc1)N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Fc1ccc(CN(NC(=O)NCCCN2CCN(CC2)c2ncccn2)c2ccccc2)cc1
Brc1ccc(cc1)N1CCN(CCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Fc1ccc(CN(NC(=O)NCCCN2CCN(CC2)c2ccc(Br)cc2)c2ccccc2)cc1
COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(Cl)cc2)CC1
COc1ccc(cc1)N(Cc1ccc(cc1)C#N)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCNC(=O)\N=N\c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2cccc(F)c2)c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(cc2)C#N)c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(Br)cc2)CC1
COc1ccc(cc1)N(Cc1ccccc1F)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
COc1ccc(cc1)N(CC(C)=C)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
Fc1ccc(CN(NC(=O)NCCCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2)cc1
Ic1ccc(cc1)N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Ic1ccc(cc1)N1CCN(CCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1ccc(cc1)-c1ccsc1
Clc1cc(Cl)cc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
C[C@H]1CO[C@H](CN1CC1CC1CCNC(=O)c1cc2ccccc2[nH]1)c1ccc(N)nc1 |r|
C[C@H]1CO[C@H](CN1C[C@@H]1C[C@H]1CCNC(=O)c1cc2ccccc2[nH]1)c1ccc(N)nc1 |r|
CCCN(CCC)c1ccc(cn1)C1CN(CCC)[C@@H](C)CO1 |r|
C[C@H]1COC(CN1CCCCOc1ccc2CCC(=O)Nc2c1)c1ccc(N)nc1 |r|
C[C@H]1CO[C@H](CN1C[C@H]2C[C@@H]2CCNC(=O)c3cc4ccccc4[nH]3)c5ccc(nc5)N
C[C@H]1CO[C@H](CN1CCCCNC(=O)c1cc2ccccc2[nH]1)c1ccc(N)nc1 |r|
CCCN1CC(OC[C@@H]1C)c1ccc(N)nc1 |r|
COc1cc2CCCN(CCCCN3CCN(CC3)c3ccccn3)C(=O)c2cc1OC
Cc1cccc2cc(CNCc3ccccc3)c(Cl)nc12
Cc1ccc(cc1)C(=O)C1CCN(CC(=O)NC2CCCC2)CC1
COc1ccccc1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CC2COCC(O2)(c2ccccc2)c2ccccc2)CC1
COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1 |r|
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,)|
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
Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1
Cc1cccc(NC(=O)CN2CCN(CC2)c2cccc3ccccc23)c1
O=C(CN1CCN(CC1)c1ccccn1)Nc1cncnc1
Cc1cccc(NC(=O)CCN2CCC(CC2)c2ccccn2)c1
Cc1cccc(NC(=O)CCN2CCN(CC2)c2ccccn2)c1
Cc1ccc(cc1)C1CCN(CC(=O)Nc2cccc(C)c2)CC1
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccc(Cl)cc2)c1
Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccn2)c1
Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cn2)c1
CCc1cccc(NC(=O)CN2CCN(CC2)c2ccccn2)c1
Clc1ccc(nc1)N1CCN(CC(=O)Nc2cccnc2)CC1
Clc1ccc(nc1)N1CCN(CC(=O)Nc2cncnc2)CC1
Cc1ccc(nc1)C1CCN(CC(=O)Nc2cccc(C)c2)CC1
Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1
O=C(CN1CCN(CC1)c1ccccn1)Nc1cccnc1
CCc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1
CCc1cccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cn2)c1
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Cn1c(SCCCNCC2CC2c2cc(F)ccc2OCCF)nnc1-c1ccccc1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1Cl
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
COc1ccc(F)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)C(C)C
CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cccc(Cl)c1
CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OCCF
CCOc1ccc(F)cc1C1CC1CN(CC)CCCSc1nnc(-c2ccccc2)n1C
COc1ccc(F)cc1C1CC1CN(C)CCCSc1nnc(-c2ccccc2)n1C
CCCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OC
CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(Cl)ccc1OC
CCCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(Cl)ccc1OC
CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(F)ccc1OC
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(Cl)ccc1OC
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(F)c1
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(F)c1
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(Cl)c1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(F)cc1
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(F)cc1
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(Cl)cc1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(cc1)C(F)(F)F
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1ccc(cc1)C(F)(F)F
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(Cl)c1Cl
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cccc(Cl)c1Cl
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
CCOc1ccc(F)cc1C1CC1CNCCCSc1nnc(-c2ccccc2)n1C
COc1ccc(F)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cccc(F)c1
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1ccc(Cl)cc1
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@H]1C[C@@H]1c1cc(F)ccc1OC
CCOc1ccc(F)cc1C1CC1CN(C)CCCSc1nnc(-c2ccccc2)n1C
CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OC
COc1ccc(Cl)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(Cl)ccc1OC
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(Cl)cc1
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(cc1)C(F)(F)F
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@@H]1C[C@H]1c1cc(F)ccc1OC
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OCCF
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1ccc(F)cc1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
COc1ccc(F)cc1C1CC1CNCCCSc1nnc(-c2ccccc2)n1C
CCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC
COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1
CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)|
Clc1ccc2CCc3ccccc3N(CCCN3CCC4(CC3)N3CCCCC3NC4=O)c2c1
CN1CCC2(CC1)N=C(C)C(=O)N(C2=O)c1c(C)cccc1C |t:8|
CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CCc1cccc(N2CCN(CC(O)CCNC(=O)c3nc(C)c[nH]3)CC2)c1Cl
CCc1cc(Cl)c(OC)c(c1)N1CCN(C)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCNCC1
CCc1cccc(N2CCN(C)CC2)c1Cl
CCCCN1CCN(CC1)c1cccc(CC)c1Cl
CCc1cc(Cl)c(OC)c(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1
CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cn4ccccc4n3)CC2)c1Cl
CCc1cccc(N2CCN(CCCCNC(=O)c3nc4sccn4c3C)CC2)c1Cl
CCc1cccc(N2CCN(CCCCNC(=O)c3nc(C)c[nH]3)CC2)c1Cl
CCc1cccc(N2CCN(C\C=C\CNC(=O)c3nc(C)c[nH]3)CC2)c1Cl
CCCCN1CCN(CC1)c1cc(CC)cc(Cl)c1OC
CCc1cc(Cl)c(OC)c(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
CCc1c[nH]c(n1)C(=O)NCCCCN1CCN(CC1)c1cccc(CC)c1Cl
CCc1cccc(N2CCN(CCC(O)CNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CCc1cccc(N2CCNCC2)c1Cl
CCc1cccc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c1Cl
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
CN1CCc2cccc-3c2C1Cc1ccc2nc(N)sc2c-31
C[C@@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cn2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cn1
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
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)c2ccncc2)cc1
NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Fc1ccc(CN2CCC(CC2)NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
[O-][S+](CCNC1CCN(Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
OC(CN1CCC(CC1)NCCSC(c1ccc(F)cc1)c1ccc(F)cc1)Cc1ccccc1
OC(CNC1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1ccccc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](CCNC1CCN(CC1)C(=O)c1ccc(F)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(C)(C)C(=O)N1CCC(CC1)NCCSC(c1ccc(F)cc1)c1ccc(F)cc1
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(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
O=C1N(CCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12
Clc1ccc(cc1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
COc1cc2CCN(Cc3ccccc3CNC(=O)c3ccccc3Cl)Cc2cc1O
COc1cc2CCN(Cc3ccccc3CNC(=O)c3ccccc3Br)Cc2cc1O
COc1cc2CCN(Cc3ccccc3CNC(=O)c3ccccc3OC)Cc2cc1O
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(Cl)c3)Cc2cc1O
COc1cccc(c1)C(=O)NCc1ccccc1CN1CCc2cc(OC)c(O)cc2C1
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(c3)C#N)Cc2cc1O
COc1ccc(cc1)C(=O)NCc1ccccc1CN1CCc2cc(OC)c(O)cc2C1
COc1cc2CCN(Cc3ccccc3CNC(=O)c3ccc(cc3)C#N)Cc2cc1O
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(Cl)c3Cl)Cc2cc1O
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(c3)C#N)Cc2cc1OC
COc1cc2CCN(Cc3ccccc3CNC(=O)c3ccc(cc3)C#N)Cc2cc1OC
Oc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(Br)c3)Cc2cc1O
COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2CCC(=O)Nc2c1 |r|
COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
Cc1cc(I)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
N#CC(CCNCCc1ccccc1)(c1ccccc1)c1ccccc1
Clc1cccc(N2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNCCC(C#N)(c3ccccc3)c3ccccc3)CC2)c1Cl
OC(CCNCCC(C#N)(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1cccc(Cl)c1Cl
CN(C)CCC(C#N)(c1ccccc1)c1ccccc1
CN(C)CCC(C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl)(c1ccccc1)c1ccccc1
CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1
Clc1cccc(N2CCN(CC2)C(=O)CCCCNCCC(C#N)(c2ccccc2)c2ccccc2)c1Cl
CN(C)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1
CN(C)C(=O)C(CCN1CCN(CC1)c1cccc(Cl)c1Cl)(c1ccccc1)c1ccccc1
CN(C)C(=O)C(CCN1CCc2ccc(cc2C1)C#N)(c1ccccc1)c1ccccc1
CN(C)C(=O)C(CCNCCc1ccccc1)(c1ccccc1)c1ccccc1
CN(C)C(=O)C(CCNCCCCN1CCN(CC1)c1cccc(Cl)c1Cl)(c1ccccc1)c1ccccc1
CN(C)C(=O)C(CCNCCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl)(c1ccccc1)c1ccccc1
CCc1cccc(N2CCN(CCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CC2)c1Cl
CCc1cccc(N2CCN(CCCCNCCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CC2)c1Cl
CCc1cccc(N2CCN(CC(O)CCNCCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CC2)c1Cl
CN(C)C(=O)C(CCNCCCCN1CCc2ccc(cc2C1)C#N)(c1ccccc1)c1ccccc1
CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CCC(C#N)(c2ccccc2)c2ccccc2)c1O |r|
CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CCCCNCCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)c1O |r|
CCc1cc(Cl)c(OC)c(C(=O)NCC2CCCN2CCCCNCCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)c1O
CN1CCC(C1)(c1ccccc1)c1ccccc1
CCC(=O)N1CCC(C1)(c1ccccc1)c1ccccc1
CCc1cc(Cl)c(OC)c(C(=O)NCC2CCCN2CC(=O)N2CCC(C2)(c2ccccc2)c2ccccc2)c1O
CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCNCCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)c1O |r|
[#6]-[#8]-c1cccc(c1)-[#6](=[#6]/[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1cccc(Cl)c1Cl)\c1cccc(-[#8]-[#6])c1
Oc1cccc(c1)C(CCNCCCCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
CCc1cccc(N2CCN(CCC(c3cccc(OC)c3)c3cccc(OC)c3)CC2)c1Cl
CCc1cccc(N2CCN(CCC(c3cccc(O)c3)c3cccc(OC)c3)CC2)c1Cl
CCc1cccc(N2CCN(CCC(c3cccc(O)c3)c3cccc(O)c3)CC2)c1Cl
[H][C@@]12CCC[C@@](CCN1CCc1ccccc1)(\C2=C\C(=O)OCC)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
[H][C@@]12CCC[C@@](CCN1C\C=C\c1ccccc1)([C@@H]2O)c1cccc(O)c1 |r,THB:9:8:4.3.2:18|
[H][C@@]12CCC[C@@](CCN1)(\C2=C\C(=O)OCC)c1cccc(O)c1 |r|
[H][C@@]12CCC[C@@](CCN1CCCCNC(=O)c1cc3ccccc3[nH]1)(\C2=C\C(=O)OCC)c1cccc(O)c1 |r,THB:9:8:4.3.2:25|
[H][C@@]12CCC[C@@](CCN1CC1CC1CCNC(=O)c1cc3ccccc3[nH]1)(\C2=C\C(=O)OCC)c1cccc(O)c1 |r,THB:9:8:4.3.2:27|
[H][C@@]12CCC[C@@](CCN1C[C@H]1C[C@@H]1CCNC(=O)c1cc3ccccc3[nH]1)(\C2=C\C(=O)OCC)c1cccc(O)c1 |r,THB:9:8:4.3.2:27|
[H][C@@]12CCC[C@@](CCN1C[C@@H]1C[C@H]1CCNC(=O)c1cc3ccccc3[nH]1)(\C2=C\C(=O)OCC)c1cccc(O)c1 |r,THB:9:8:4.3.2:27|
[H][C@@]12CCC[C@@](CCN1)([C@H]2O)c1cccc(O)c1 |r|
[H][C@@]12CCC[C@@](CCN1)([C@@H]2O)c1cccc(O)c1 |r|
[H][C@@]12CCC[C@@](CCN1CCCCNC(=O)c1cc3ccccc3[nH]1)([C@H]2O)c1cccc(O)c1 |r,THB:9:8:4.3.2:25|
[H][C@@]12CCC[C@@](CCN1CCCCNC(=O)c1cc3ccccc3[nH]1)([C@@H]2O)c1cccc(O)c1 |r,THB:9:8:4.3.2:25|
[H][C@@]12CCC[C@@](CCN1CCN1CCN(CC1)c1cccc(Cl)c1Cl)(\C2=C\C(=O)OCC)c1cccc(O)c1 |r,THB:9:8:4.3.2:25|
C(CN1CCN(CC1)c1ccccc1)Cn1ccc2ccccc12
C(CN1CCN(CC1)c1ccccc1)Cn1cnc2ccccc12
C(CN1CCN(CC1)c1ccccc1)Cc1nc2ccccc2[nH]1
C(CN1CCN(CC1)c1ccccc1)Cc1nc2ccccc2o1
C(CN1CCN(CC1)c1ccccc1)Cc1nc2ccccc2s1
C(CN1CCN(CC1)c1ccccc1)CN1CCCc2ccccc12
O=C1CCc2ccccc2N1CCN1CCN(CC1)c1ccccc1
O=C1CCc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
O=C1CCc2ccccc2N1CCCCCN1CCN(CC1)c1ccccc1
Cc1ccccc1N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Cc1cccc(c1)N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Cc1ccc(cc1)N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
COc1ccccc1N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
COc1cccc(c1)N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
COc1ccc(cc1)N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Clc1ccccc1N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Clc1cccc(c1)N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Clc1ccc(cc1)N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
[O-][N+](=O)c1ccccc1N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
[O-][N+](=O)c1cccc(c1)N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
[O-][N+](=O)c1ccc(cc1)N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1C#N
O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccn1
O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ncccn1
Clc1cccc(N2CCN(CCCN3C(=O)CCc4ccccc34)CC2)c1Cl
Clc1ccc(N2CCN(CCCN3C(=O)CCc4ccccc34)CC2)c(Cl)c1
Clc1ccc(cc1Cl)N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
C(N1CCC(CC1)n1cc(Cc2ccccc2)nn1)c1ccccc1
Brc1ccc(Cc2cn(nn2)C2CCN(Cc3ccccc3)CC2)cc1
[O-][N+](=O)c1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
Fc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
Nc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCN(C([2H])([2H])[2H])C(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCNC(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
FCOc1ccccc1-c1ccc(C=O)cc1
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
COc1ccc(CN2CCC[C@@H](C2)OCc2cccc(F)c2)cc1F |r|
COc1ccc(CN2CCC[C@@H](C2)OCc2ccc(F)c(F)c2)cc1F |r|
COc1ccc(CN2CCC[C@@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
COc1ccc(CN2CCC[C@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
COc1ccc(CN2CCC[C@@H](C2)OCc2ccc(C)cc2)cc1F |r|
COc1ccc(CN2CCC[C@@H](C2)OCc2ccccc2C)cc1F |r|
COc1ccc(CN2CCC[C@@H](C2)OCc2cccc(C)n2)cc1F |r|
Fc1cccc(CO[C@H]2CCCN(Cc3cn4ccccc4n3)C2)c1 |r|
Fc1ccc(CO[C@H]2CCCN(Cc3cn4ccccc4n3)C2)cc1F |r|
Cc1cc(CO[C@H]2CCCN(Cc3cn4ccccc4n3)C2)ccc1F |r|
Cc1ccccc1CO[C@H]1CCCN(Cc2cn3ccccc3n2)C1 |r|
FC(F)(F)Oc1cccc(CO[C@H]2CCCN(Cc3cn4ccccc4n3)C2)c1 |r|
Fc1cccc(CO[C@H]2CCCN(Cc3ncn4ccccc34)C2)c1 |r|
Fc1ccc(CO[C@H]2CCCN(Cc3ncn4ccccc34)C2)cc1F |r|
Cc1cc(CO[C@H]2CCCN(Cc3ncn4ccccc34)C2)ccc1F |r|
Cc1cccc(CO[C@H]2CCCN(Cc3cc4ccc(Cl)cc4[nH]3)C2)n1 |r|
Cc1ccc(CO[C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)cc1 |r|
Cc1ccc(CO[C@H]2CCCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
Cc1ccc(CN2CCC[C@@H](C2)OCc2ccc(F)c(C)c2)cc1 |r|
Fc1cccc(COC2CCN(Cc3cn4ccccc4n3)CC2)c1
Fc1ccc(COC2CCN(Cc3cn4ccccc4n3)CC2)cc1F
FC(F)(F)c1cccc(COC2CCN(Cc3cn4ccccc4n3)CC2)c1
Fc1cc(COC2CCN(Cc3cn4ccccc4n3)CC2)ccc1Cl
Fc1cc(COC2CCN(Cc3ncc4ccccn34)CC2)ccc1Cl
FC(F)(F)c1cccc(COC2CCN(Cc3ncc4ccccn34)CC2)c1
Fc1ccc(COC2CCN(Cc3ncc4ccccn34)CC2)cc1F
Fc1cccc(COC2CCN(Cc3ncn4ccccc34)CC2)c1
Cc1nc(CN2CCC(CC2)OCc2cccc(c2)C(F)(F)F)c2ccccn12
Cc1nc(CN2CCC(CC2)OCc2ccc(Cl)c(F)c2)c2ccccn12
Cc1nc(CN2CCC(CC2)OCc2ccc(F)c(F)c2)c2ccccn12
Fc1cc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)ccc1Cl
FC(F)(F)c1cccc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)c1
Fc1ccc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)cc1F
Cn1cnc2cc(CN3CCC(CC3)OCc3cccc(c3)C(F)(F)F)ccc12
Cn1cnc2cc(CN3CCC(CC3)OCc3ccc(F)c(F)c3)ccc12
Fc1ccc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)cc1F
Fc1cc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)ccc1Cl
FC(F)(F)c1cccc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)c1
Cn1ncc2cc(CN3CCC(CC3)OCc3ccc(F)c(F)c3)ccc12
Cn1ncc2cc(CN3CCC(CC3)OCc3ccc(Cl)c(F)c3)ccc12
Cn1ncc2cc(CN3CCC(CC3)OCc3cccc(c3)C(F)(F)F)ccc12
Fc1cc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)ccc1Cl
Fc1ccc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)cc1F
FC(F)(F)c1cccc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)c1
Cc1c(Cl)cccc1NC(=O)CN1CCC(CC1)OCc1ccc(F)c(F)c1
Cc1c(Cl)cccc1NC(=O)CN1CCC(CC1)OCc1cccc(c1)C(F)(F)F
Cc1c(Cl)cccc1NC(=O)CN1CCC(CC1)OCc1ccc(Cl)c(F)c1
Cc1cc(NC(=O)CN2CCC(CC2)OCc2ccc(F)c(F)c2)ccc1F
CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CCCCCNC(=O)N=C(/N)NCCCc1nnc(N)s1
NC(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
C[C@@H](NC(=O)N=C(/N)NCCCc1ncn[nH]1)c1ccccc1
Clc1ccc2NCCC(=Nc2c1)N1CCN(CC1)c1ccccc1 |c:8|
CCOC(=O)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
Clc1ccc(OCC2CN(Cc3c[nH]c4ncccc34)CCO2)cc1
OCc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccc1
N#Cc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccc1
CCOC(=O)c1[nH]c2ccc(F)cc2c1CN1CCN(CC1)c1ccccc1
O\N=C\c1c(CN2CCN(CC2)c2ccccc2)[nH]c2ccccc12
COc1ccccc1N1CCN(Cc2ccc3cccccc23)CC1
Cc1ncc(CN2CCC(=CC2)c2ccccc2)c(N)n1 |c:9|
NS(=O)(=O)c1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
OC[C@H](CNCc1cc(=O)c2cc(F)ccc2[nH]1)Cc1ccsc1 |r|
Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1
CC(C)N1C[C@H](C)[C@H](C1)NC(=O)N1Cc2ccccc2[C@@H]1C |r|
CC(C)N1C[C@H](C)[C@@H](C1)NC(=O)c1cc2ccc(Br)cc2[nH]1 |r|
Clc1ccc(c(Cl)c1)-n1cc(CNC[C@@H]2CCCOC2)nn1 |r|
CCS[C@H]1CC[C@H](C1)N(C)CC(=O)Nc1ccc(C)c(C)c1 |r|
CCOC(=O)c1sc2[nH]cn\c(=N/[C@H]3CCN(CC)C3)c2c1C |r|
CCOC(=O)c1nn(cc1CN(C)[C@@H]1CCSC1)-c1ccccc1 |r|
CN(C)[C@@H](CNC(=O)NC[C@H]1Cc2ccccc12)CC1CCCCC1 |r|
Oc1cccc(OCCNCC2COCC(O2)(c2ccccc2)c2ccccc2)c1
CC(=O)OC1CC(C)(C)C(\C=C\C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)CC23OC2(C)CC(O)CC3(C)C)C(C)(O)C1 |w:19.19,21.21,23.23,25.24,27.26,16.16,14.14|
Cn1ccc2c(cccc12)N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Oc1ccc(N2CCCN(CCCCOc3ccc4ccnn4c3)CC2)c2ccc(=O)[nH]c12
Fc1ccc2c(CN3CCC(F)(F)[C@H](CCc4ccccc4)C3)c[nH]c2c1 |r|
Fc1ccc(OC[C@@H]2CN(Cc3ccc4[nH]cnc4c3)CCO2)cc1F |r|
Cn1ncc2cc(CN3CCO[C@H](COc4ccc(F)c(F)c4)C3)ccc12 |r|
Cc1csc(OC[C@@H]2CN(Cc3ccc4n(C)ncc4c3)CCO2)n1 |r|
Cc1csc(OC[C@@H]2CN(Cc3cc4ccc(Cl)cc4[nH]3)CCO2)n1 |r|
Cc1cccc(COC2CCN(Cc3cn4ccccc4n3)CC2)n1
C(OC1CCN(Cc2cn3ccccc3n2)CC1)c1ccccn1
Cc1csc(OC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)n1 |r|
Fc1ccc(OC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)cc1F |r|
Cc1c(Cl)cccc1NC(=O)CN1CCC2(CCCN2Cc2ccc(F)c(F)c2)C1
Fc1ccc(CN2CCCC22CCN(Cc3cc4ccc(Cl)cc4[nH]3)C2)cc1F
Cc1ccnc(c1)N1CCN(CCCc2nc3ccccc3s2)CC1
COc1cccnc1N1CCN(CCCc2nc3ccccc3s2)CC1
Cc1ccc2nc(CCCN3CCN(CC3)c3ccccn3)sc2c1
Clc1ccc2nc(CCCN3CCN(CC3)c3ccccn3)sc2c1
Clc1ccc2sc(CCCN3CCN(CC3)c3ccccn3)nc2c1
Clc1cccc2sc(CCCN3CCN(CC3)c3ccccn3)nc12
COc1cccc2nc(CCCN3CCC(CC3)c3ccccn3)sc12
COc1ccc2nc(CCCN3CCC(CC3)c3ccccn3)sc2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)Nc2cccc(c2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccc(OC)c(c2)-c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccc(cc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccc(F)cc2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccc(OCC#C)cc2-c2ccccc2)CC1
COCCOCCOc1ccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c(c1)-c1ccccc1
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2cccc(F)c2)CC1
COc1cccc(c1)-c1ccccc1NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccc(cc2)C(C)C)CC1
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccc(cc2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccc(cc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NCc2c(F)cccc2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NCc2cc(F)ccc2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NCc2ccc(F)cc2-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NCc2cccc(F)c2-c2ccccc2)CC1
COc1ccc(c(CNC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1)-c1ccccc1
COc1ccc(CNC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c(c1)-c1ccccc1
COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2cccc(F)c2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccc(F)cc2)CC1
COc1cccc(c1)-c1ccccc1CNC(=O)NCCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccc(C)cc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccc(cc2)C(C)C)CC1
COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccc(cc2)-c2ccccc2)CC1
Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3ccnc4ccccc34)CC2)c1Cl |r,wU:15.18,wD:12.11,(-10.78,3.33,;-10.01,2.01,;-10.78,.67,;-10.01,-.67,;-8.47,-.67,;-7.7,.67,;-6.16,.67,;-5.39,-.67,;-3.85,-.67,;-3.08,.67,;-1.54,.67,;-.77,-.67,;.77,-.67,;1.54,-2,;3.08,-2,;3.85,-.67,;3.08,.67,;1.54,.67,;5.39,-.67,;6.16,.67,;5.39,2,;7.7,.67,;8.47,2,;10,2,;10.77,.66,;10.01,-.67,;10.78,-1.99,;10.02,-3.34,;8.49,-3.34,;7.71,-2.02,;8.47,-.67,;-3.85,2,;-5.39,2,;-8.48,2.01,;-7.71,3.34,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:7.6,wD:10.10,(10.78,2.66,;10.01,1.33,;8.47,1.33,;7.7,-0,;6.16,-0,;5.39,1.33,;5.39,-1.34,;3.85,-1.34,;3.08,-2.67,;1.54,-2.67,;.77,-1.34,;-.77,-1.34,;-1.54,-0,;-3.08,-0,;-3.85,-1.34,;-5.39,-1.34,;-6.16,-0,;-5.39,1.33,;-3.85,1.33,;-7.7,-0,;-8.47,-1.33,;-10,-1.33,;-10.78,-0,;-10.01,1.34,;-10.78,2.66,;-8.47,1.34,;-7.7,2.67,;1.54,-0,;3.08,-0,)|
CCc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3ccnc4ccccc34)CC2)c1Cl |r,wU:16.19,wD:13.12,(-11.55,3.33,;-10.01,3.33,;-9.24,2.01,;-10.01,.67,;-9.24,-.67,;-7.7,-.67,;-6.93,.67,;-5.39,.67,;-4.62,-.67,;-3.08,-.67,;-2.31,.67,;-.77,.67,;-0,-.67,;1.54,-.67,;2.31,-2,;3.85,-2,;4.62,-.67,;3.85,.67,;2.31,.67,;6.16,-.67,;6.93,.67,;6.16,2,;8.47,.67,;9.24,2,;10.77,2,;11.54,.66,;10.78,-.67,;11.55,-1.99,;10.79,-3.34,;9.26,-3.34,;8.48,-2.02,;9.24,-.67,;-3.08,2,;-4.62,2,;-7.71,2.01,;-6.94,3.34,)|
CCc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)COC)CC2)c1Cl |r,wU:16.19,wD:13.12,(-11.17,2.66,;-9.63,2.66,;-8.86,1.34,;-9.62,-0,;-8.85,-1.33,;-7.31,-1.33,;-6.54,-0,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;11.17,1.33,;-2.69,1.33,;-4.23,1.33,;-7.32,1.34,;-6.55,2.67,)|
COc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)N(C)C)CC2)c1F |r,wU:16.19,wD:13.12,(-10.4,2.66,;-8.86,2.66,;-8.09,1.34,;-8.85,-0,;-8.08,-1.33,;-6.54,-1.33,;-5.77,-0,;-4.23,-0,;-3.46,-1.34,;-1.92,-1.34,;-1.15,-0,;.39,-0,;1.16,-1.34,;2.7,-1.34,;3.47,-2.67,;5.01,-2.67,;5.78,-1.34,;5.01,-0,;3.47,-0,;7.32,-1.34,;8.09,-0,;7.32,1.33,;9.63,-0,;10.4,1.33,;10.4,-1.34,;-1.92,1.33,;-3.46,1.33,;-6.55,1.34,;-5.78,2.67,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(OC)c2F)CC1 |r,wU:7.6,wD:10.10,(11.55,2.66,;10.78,1.33,;9.24,1.33,;8.47,-0,;6.93,-0,;6.16,1.33,;6.16,-1.34,;4.62,-1.34,;3.85,-2.67,;2.31,-2.67,;1.54,-1.34,;0,-1.34,;-.77,-0,;-2.31,-0,;-3.08,-1.34,;-4.62,-1.34,;-5.39,-0,;-4.62,1.33,;-3.08,1.33,;-6.93,-0,;-7.7,-1.33,;-9.24,-1.33,;-10.01,-0,;-9.24,1.34,;-10.01,2.66,;-11.55,2.66,;-7.7,1.34,;-6.93,2.67,;2.31,-0,;3.85,-0,)|
FC(F)(F)c1cccc(n1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccnc3ccccc23)CC1 |r,wU:19.23,wD:16.16,(-11.56,2.67,;-10.02,2.67,;-9.25,4,;-10.79,4,;-9.25,1.33,;-10.01,.01,;-9.24,-1.33,;-7.7,-1.33,;-6.93,0,;-7.71,1.33,;-5.39,0,;-4.62,-1.33,;-3.08,-1.33,;-2.31,0,;-.77,0,;-0,-1.33,;1.54,-1.33,;2.31,-2.66,;3.85,-2.66,;4.62,-1.33,;3.85,0,;2.31,0,;6.16,-1.33,;6.93,0,;6.16,1.34,;8.47,0,;9.24,1.34,;10.78,1.34,;11.55,0,;10.78,-1.34,;11.56,-2.65,;10.79,-4,;9.26,-4,;8.48,-2.68,;9.24,-1.34,;-3.08,1.34,;-4.62,1.34,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(n2)C(F)(F)F)CC1 |r,wU:7.6,wD:10.10,(11.55,2,;10.78,.67,;9.24,.67,;8.47,-.67,;6.93,-.67,;6.16,.67,;6.16,-2,;4.62,-2,;3.85,-3.33,;2.31,-3.33,;1.54,-2,;0,-2,;-.77,-.67,;-2.31,-.67,;-3.08,-2,;-4.62,-2,;-5.39,-.67,;-4.62,.67,;-3.08,.67,;-6.93,-.67,;-7.7,-2,;-9.24,-2,;-10.01,-.66,;-9.24,.67,;-7.7,.67,;-10.01,2,;-11.55,2,;-9.24,3.33,;-10.78,3.33,;2.31,-.67,;3.85,-.67,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)N(C)C)CC1 |r,wU:20.24,wD:17.17,(-8.85,-4,;-9.62,-2.67,;-8.85,-1.34,;-9.62,-0,;-8.86,1.34,;-9.63,2.66,;-7.32,1.34,;-6.55,2.67,;-7.32,4,;-6.54,-0,;-7.31,-1.34,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;9.63,-1.34,;-2.69,1.33,;-4.23,1.33,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)NC)CC1 |r,wU:20.24,wD:17.17,(-8.85,-4,;-9.62,-2.67,;-8.85,-1.34,;-9.62,-0,;-8.86,1.34,;-9.63,2.66,;-7.32,1.34,;-6.55,2.67,;-7.32,4,;-6.54,-0,;-7.31,-1.34,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;-2.69,1.33,;-4.23,1.33,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)CCOC)CC1 |r,wU:20.24,wD:17.17,(-10.01,-4,;-10.78,-2.67,;-10.01,-1.34,;-10.78,-0,;-10.01,1.34,;-10.78,2.66,;-8.47,1.34,;-7.7,2.67,;-8.47,4,;-7.7,-0,;-8.47,-1.34,;-6.16,-0,;-5.39,-1.34,;-3.85,-1.34,;-3.08,-0,;-1.54,-0,;-.77,-1.34,;.77,-1.34,;1.54,-2.67,;3.08,-2.67,;3.85,-1.34,;3.08,-0,;1.54,-0,;5.39,-1.34,;6.16,-0,;5.39,1.33,;7.7,-0,;8.47,1.33,;10.01,1.33,;10.78,2.66,;-3.85,1.33,;-5.39,1.33,)|
COc1cccc2c3CCN(CCCCOc4ccc5ccc(=O)[nH]c5c4)Cc3oc12
COc1cccc2c3CCN(CCCCOc4ccc5CCC(=O)Nc5c4)Cc3oc12
c1cc(c(cc1CCN)O)O
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
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
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(F)(F)F)c(F)c1)NC2(C)C
CCSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
C(N1CCN(CC1)c1ncccn1)c1c[nH]c(n1)-c1ccccc1
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
Cn1nccc1CNCCNc1cccc(Br)c1
Cc1ccc2nc(CN[C@H](c3cccs3)C3CC3)cc(=O)n2c1
Cc1ccsc1CN(C)Cc1cc(=O)n2ccccc2n1
C[C@@H](Cc1cncs1)NCc1cc(=O)c2cc(F)ccc2[nH]1
CCCC[C@@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)C(N)=O
O=c1cc(CNC[C@@H](O)c2ccccc2)[nH]c2ccc(F)cc12
Cc1csc(CCCNCc2cc(=O)c3cc(F)ccc3[nH]2)n1
O=c1cc(CN[C@@H]2CCSC2)[nH]c2ccc(F)cc12
O=c1cc(CN[C@@H]2COC3(CCCC3)C2)[nH]c2ccc(F)cc12
CCCn1cc(CNCc2cc(=O)c3cc(F)ccc3[nH]2)cn1
O=c1cc(CNC[C@@H](O)c2ccccn2)[nH]c2ccc(F)cc12
Cc1ccc2[nH]c(CNCCC[C@H]3CCOC3)cc(=O)c2c1
CC(C)C[C@H](CO)NCc1cc(=O)c2cc(F)ccc2[nH]1
O=c1cc(CNCC2(O)CCCCC2)[nH]c2ccc(F)cc12
CO[C@H](CNCc1cc(=O)c2cc(F)ccc2[nH]1)c1cccs1
NC(=O)[C@H](Cc1ccccc1)NCc1cc(=O)c2cc(F)ccc2[nH]1
Oc1cc(CNCCc2nccs2)nc2c(F)cccc12
CCc1nc(CCNCc2cc(=O)c3cc(F)ccc3[nH]2)cs1
Cc1n[nH]c(C)c1CCCNCc1cc(=O)c2cc(F)ccc2[nH]1
O=c1cc(CNCCc2nc3c(s2)CCC3)[nH]c2ccc(F)cc12
O=c1cc(CNCCc2csc(-c3ncccn3)n2)[nH]c2ccc(F)cc12
O=c1cc(CNCCCn2ccnn2)[nH]c2ccc(F)cc12
O=c1cc(CNCCCc2nnc3ccccn23)[nH]c2ccc(F)cc12
Cc1nc(CCNCc2cc(=O)c3cc(F)ccc3[nH]2)cc(=O)[nH]1
Cc1n[nH]c(SCCNCc2cc(=O)c3cc(F)ccc3[nH]2)n1
CC(C)c1csc(CCNCc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)n1
O=c1cc(CNCCSc2cn[nH]n2)[nH]c2ccc(F)cc12
Cc1ccc2nc(CNCCCN3CCCC3=O)cc(O)c2c1
CN(CCCc1nccn1C)Cc1cc(O)c2cccc(Cl)c2n1
Cc1ccc2nc(CNCCCn3ccnc3)cc(O)c2c1
CCc1nccn1CCCNCc1cc(=O)c2cc(C)ccc2[nH]1
Cc1ccc2[nH]c(CNCCCc3ccncc3)cc(=O)c2c1
Cc1ccc2[nH]c(CNCc3csc(-c4ncccn4)n3)cc(=O)c2c1
Cc1ccc2[nH]c(CNCCc3nc(-c4cccnc4)n[nH]3)cc(=O)c2c1
Cc1ccc2[nH]c(CNCCSc3nc(C)n[nH]3)cc(=O)c2c1
O=c1cc(CNCCCN2CCCC[C@H]2CO)[nH]c2ccc(F)cc12
CCn1nc(C)c(CCNCc2cc(=O)c3cc(C)ccc3[nH]2)c1C
Cc1ccc2[nH]c(CNCCc3c(C)n[nH]c3C)cc(=O)c2c1
O=c1cc(CNCCCOc2cccnc2)[nH]c2ccc(F)cc12
Cc1ccc2nc(CNCCCN3CCOCC3)cc(O)c2c1
Cc1ccc2[nH]c(CNCC[C@@H]3CCCCO3)cc(=O)c2c1
O=c1cc(CNC[C@H]2CCOC2)[nH]c2c(F)cccc12