1845 SMILES Strings for 5-hydroxytryptamine receptor 1B

Compound Name
SMILES String
NCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCCNC1
NCCc1c[nH]c2ccc(O)cc12
COc1ccc2c(c1)c(c[nH]2)CCN
CCCN(CCC)C1CCc2cccc(O)c2C1
CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
CC(C)(C)NCC(O)COc1cccc2[nH]c(cc12)C#N
CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
Clc1cccc(c1)N1CCNCC1
CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
FC(F)(F)c1cccc(c1)N1CCNCC1
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
c1cc2c(cc1C(=O)N)c(c[nH]2)CCN
Cc1[nH]c2ccc(O)cc2c1CCN
CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(N)=O
CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6|
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
CC(C)NCC(O)COc1cccc2[nH]ccc12
C1CN(CCN1)c1ccc2ccccc2n1
NCCc1c[nH]c2ccccc12
COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc(Cl)c1 |THB:9:7:1:3.4|
CN1CCN2c3ccccc3Cc4ccccc4[C@H]2C1
NCC(O)c1ccc(O)c(O)c1
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
C(Cc1c[nH]c2ccccc12)C1CCNCC1
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
CC(C)NC[C@@H](COc1ccccc1CC=C)O
CC(C)(C)NCC(O)CSc1nc(cs1)-c1ccc(s1)C(N)=O
CC(C)NCC(COc1ccc(cc1)CC(=O)N)O
CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
COc1ccc(OC)c(c1)[C@@H](O)[C@H](C)NC(C)(C)C |r|
COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 |r|
Cc1ccc(c2c1CCC2)OC[C@H]([C@H](C)NC(C)C)O
COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 |r|
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
COCCc1ccc(OCC(O)CNC(C)C)cc1
CC(C)NCC(O)COc1ccccc1OCC=C
CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
CC(C)CNCC(O)COc1cccc2ccccc12
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
COc1ccccc1OCCNCC(O)c1ccc(C)c(c1)S(N)(=O)=O
C1CN(CCN1)c1cccc2OCCOc12
Cc1cccc2ccc(nc12)N1CCNCC1
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
C1CN(CCN1)c1cccc2ccccc12
CN(C)CCc1c[nH]c2c1cc(cc2)OC
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
C(CN1CCN(CC1)c1cccc2OCCOc12)C1Cc2ccccc12
C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCc2ccccc12
CC(C)(C)NCC(O)COc1cccc2CCCSc12
COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1 |r|
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
FC(F)(F)c1ccc(cc1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
C(Oc1cccnc1)[C@@H]1CCN1 |r|
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
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
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1
Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C
CN[S](=O)(=O)Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
[#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
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|
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
CCCCCCOc1c(nsn1)C2=CCCN(C2)C
Fc1cccc2OC3CNCC3Oc12
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCCC2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
CC1CCN(CCC2CCCCC2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
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|
O=C(NC1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wD:6.6,(-3.87,-1.76,;-3.86,-3.3,;-2.52,-4.08,;-1.18,-3.3,;-1.19,-1.76,;.15,-.99,;1.48,-1.76,;2.83,-.99,;4.16,-1.76,;5.49,-.99,;5.49,.54,;6.84,1.31,;8.17,.53,;9.5,1.3,;10.83,.53,;10.81,-1.01,;9.48,-1.78,;8.16,-1.01,;6.84,-1.78,;12.17,1.29,;13.5,2.07,;1.48,-3.3,;.15,-4.08,;-5.19,-4.09,;-5.19,-5.64,;-6.54,-6.41,;-7.87,-5.64,;-7.87,-4.09,;-9.19,-3.33,;-9.2,-1.81,;-7.87,-1.03,;-6.54,-1.78,;-6.54,-3.33,)|
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
CCOc1ccccc1O[C@@H](c2ccccc2)[C@@H]3CNCCO3
COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
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,)|
Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
CCCNC1CCc2nc(N)sc2C1
CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
CCCN(CCC)CCc1cccc2NC(=O)Cc12
Nc1nc2CCN(CC=C)CCc2s1
CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
CNCCC(Oc1ccccc1C)c1ccccc1
NC(CSSCC(N)C(O)=O)C(O)=O
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
CSCC[C@H](C(=O)O)N
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
C(CS)[C@@H](C(=O)O)N
C([C@H](C(=O)O)N)S(=O)(=O)O
C([C@@H](C(=O)O)N)S
NC(CS(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
C[C@@H](Cc1ccc2c(c1)OCO2)NC
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:16.18|
CN1CCC[C@H]1Cc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:16.18|
CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.17|
CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:15.17|
O=C(NCc1ccccn1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(Nc1ccc(cc1)N1CCOCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NC1CCN(CC1)c1ccccc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CS(=O)(=O)c1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
Cn1cnc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
CC(=O)N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccccn1
Clc1cccnc1N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NCc1ccc(cc1)C#N)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NCc1ccc2OCOc2c1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CNC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NC1CC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
FC1(F)CC(C1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(N1CCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(N1CCCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CS(=O)(=O)Cc1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
COc1cccc(CCNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
CN(Cc1cccc(c1)S(C)(=O)=O)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NCc1ccc(nc1)C#N)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CN(Cc1cccnc1)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NCc1cccc(c1)C#N)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(N1CCN(CC1)c1nccs1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
COc1cccnc1N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CN(Cc1ccccn1)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
COc1cccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
O=C(NC1(CC1)c1ccccn1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
COc1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
Cc1ccnc(CCNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)n1
Cn1cnc(CCNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
O=C(NCC1CCOCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccnn1C
CC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccc(C)nc1
Cc1ncc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cn1
O=C(NCc1cccnc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(N1CC(C1)Oc1cccnc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Oc1cccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc5N(CCc5c4)C(C)=O)CC3)c2o1
COc1ccnc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N(C)C)c1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(C)cn4)CC3)c2o1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4cc(ccn4)C#N)CC3)c2o1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4cccc(n4)C(F)(F)F)CC3)c2o1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(cn4)C(C)=O)CC3)c2o1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(NC(C)=O)cn4)CC3)c2o1
COc1cccc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N2CCC2)n1
COc1cccc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N(C)C)n1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(F)cn4)CC3)c2o1
COc1cccnc1CCN1CCN(CC1)c1cccc2cc(oc12)C(=O)N(C)C
CC(=O)N1CCc2cc(CCN3CCN(CC3)c3cccc4cc(oc34)C(=O)N3CCC3)ccc12
CN(C)C(=O)c1cc2cc(F)cc(N3CCN(CCc4ccccn4)CC3)c2o1
CN(C)C(=O)c1cc2cc(F)cc(N3CCN(CCc4ccc5N(CCc5c4)C(C)=O)CC3)c2o1
COc1cc(N2CCN(CCc3ccccn3)CC2)c2oc(cc2c1)C(=O)N(C)C
CN(C)C(=O)c1cc2c(Br)ccc(N3CCN(CCc4ccccn4)CC3)c2o1
Clc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
COc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
CN(C)CCc1c[nH]c2c1c(ccc2)O
CN(C)CCOc1cc(NC(=O)c2ccc(nc2)-c2ccc(cc2C2CC2)-c2noc(C)n2)ccc1C#N
CN(C)CCOc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C2CC2)-c2noc(C)n2)ncc1C#N
CN(C)CCOc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2Cl)-c2noc(C)n2)ncc1C#N
CN(C)CCOc1nc(NC(=O)c2ccc(cc2)-c2ccc(cc2Cl)-c2noc(C)n2)ncc1C#N
CN(C)CCOc1cc(NC(=O)c2ccc(nc2)-c2ccc(cc2C2CC2)-c2noc(C)n2)ncc1Br
CN(C)CCOc1cc(NC(=O)c2ccc(nc2)-c2ccc(cc2F)-c2noc(C)n2)ncc1Br
CN(C)CCOc1cc(NC(=O)c2ccc(nc2)-c2ccc(cc2Cl)-c2noc(C)n2)ncc1Br
CN(C)CCOc1cc(NC(=O)c2ccc(nc2)-c2ccc(cc2C(F)(F)F)-c2noc(C)n2)ncc1Br
COc1cc(ccc1-c1ccc(cn1)C(=O)Nc1cc(OCCN(C)C)c(Br)cn1)-c1noc(C)n1
CN(C)CCOc1cc(NC(=O)c2ccc(nc2)-c2ccc(cc2C2CC2)-c2noc(C)n2)ncc1C#N
CN(C)CCOc1cc(NC(=O)c2ccc(nc2)-c2ccc(cc2Cl)-c2noc(C)n2)ncc1C#N
COc1cc(ccc1-c1ccc(cn1)C(=O)Nc1cc(OCCN(C)C)c(cn1)C#N)-c1noc(C)n1
CN(C)CCOc1nc(NC(=O)c2ccc(nc2)-c2ccc(cc2C2CC2)-c2noc(C)n2)ccc1C#N
CN(C)CCOc1cc(ccc1Br)C(=O)Nc1ccc(nc1)-c1ccc(cc1F)-c1noc(C)n1
CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
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
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
CN[C@@H](C)Cc1ccc2occc2c1 |r|
CN[C@H](C)Cc1ccc2occc2c1 |r|
CN[C@@H](C)Cc1ccc2ccoc2c1 |r|
CN[C@H](C)Cc1ccc2ccoc2c1 |r|
CCC(Cc1ccc2occc2c1)NC
CC[C@@H](Cc1ccc2occc2c1)NC
CC[C@H](Cc1ccc2occc2c1)NC
CCC(Cc1ccc2ccoc2c1)NC
CC[C@@H](Cc1ccc2ccoc2c1)NC
CC[C@H](Cc1ccc2ccoc2c1)NC
CNC(C)C(=O)c1ccc2occc2c1
CN[C@H](C)C(=O)c1ccc2occc2c1 |r|
CN[C@@H](C)C(=O)c1ccc2occc2c1 |r|
CNC(C)C(=O)c1ccc2ccoc2c1
CN[C@H](C)C(=O)c1ccc2ccoc2c1 |r|
CN[C@@H](C)C(=O)c1ccc2ccoc2c1 |r|
CCC(NC)C(=O)c1ccc2occc2c1
CC[C@@H](NC)C(=O)c1ccc2occc2c1 |r|
CC[C@H](NC)C(=O)c1ccc2occc2c1 |r|
CCC(NC)C(=O)c1ccc2ccoc2c1
CC[C@H](Cc1ccc2ccoc2c1)NC
CC[C@@H](Cc1ccc2ccoc2c1)NC
[H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:34|
COc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1
COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:20.21.22,26:21:28:27.25.24|
Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
COc1ccc2[nH]c(C)c(CCN)c2c1
CC(N)Cc1c[nH]c2ccc(O)cc12
Brc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Fc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Oc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1 |t:8|
[O-][N+](=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:10|
FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Clc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
CCCN1CCC=C2C1COc1cccc(OC)c21 |c:6|
COc1cc(C)cc2OC[C@@H]3[C@H](CCCN3C)c12
CCOc1ccccc1N1CCNCC1
Cc1ccccc1N1CCNCC1
Clc1ccccc1N1CCNCC1
CCCc1ccccc1N1CCNCC1
c1ccc(cc1)N2CCNCC2
COc1ccccc1N1CCNCC1
CCCCc1ccccc1N1CCNCC1
[O-][N+](=O)c1cccc(c1)N1CCNCC1
CCCCOc1ccccc1N1CCNCC1
CCc1ccccc1N1CCNCC1
CC(C)Oc1ccccc1N1CCNCC1
CC(C)c1ccccc1N1CCNCC1
N#Cc1ccccc1N1CCNCC1
Oc1ccccc1N1CCNCC1
Clc1cncc(n1)N1CCNCC1
Fc1ccccc1N1CCNCC1
Fc1cccc(c1)N1CCNCC1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
CCCN(CCC)C1CCc2cccc(OC)c2C1
CCCN(CCC)CCc1c[nH]c2ccc(OC)cc12
CCCN(CCC)CCc1c[nH]c2ccc(O)cc12
C[C@@H]1SC(=N[C@H]1[C@@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|
CCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:12|
C[C@@H]1SC(=N[C@H]1CO)c1c[nH]c2ccccc12 |r,c:3|
NC(=O)c1csc(n1)-c1ccccc1O
CCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:14|
C[C@@H]1SC(=N[C@H]1CO)c1cccs1 |r,c:3|
CNc1ccccc1C1=N[C@@H](CO)[C@H](C)S1 |r,t:9|
C[C@@H]1SC(=N[C@H]1CO)c1ccccc1 |r,c:3|
Oc1ccccc1C1=NC(Cc2c[nH]cn2)CS1 |t:8|
C[C@@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|
NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
OC[C@@H]1CSC(=N1)c1ccccc1O |r,c:5|
C[C@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1[C@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|
C[C@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1cc2ccccc2cc1O |r,c:3|
CCCCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:16|
C[C@@H]1SC(=N[C@H]1CO)c1ccco1 |r,c:3|
[H][C@]12CCC[C@@]1([H])N=C(S2)c1ccccc1O |r,c:8|
Oc1ccccc1-c1nc(C=O)cs1
C[C@@H]1SC(=N[C@H]1CO)c1ccsc1 |r,c:3|
Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Fc1ccc(cc1)-c1noc2CCNCCc12
Clc1ccc(cc1)-c1noc2CCNCCc12
Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Cc1ccc(cc1)-c1noc2CCNCCc12
Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
FC(F)(F)c1ccc2CCC3CNCCN3c2c1
COc1ccc(cc1N1CCN(C)CC1)C(=O)Nc1ccc(cc1)-c1ccc(cc1C)-c1noc(C)n1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(=O)N(C)C)cc1N1CCN(C)CC1
CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Oc3ccccc3)cc12 |wU:3.2,wD:5.7,(11.39,-13.98,;12.4,-12.84,;13.91,-13.14,;11.92,-11.37,;10.55,-10.69,;11.23,-9.32,;12.61,-9.99,;10.76,-7.85,;11.65,-6.6,;10.74,-5.35,;9.27,-5.84,;7.94,-5.07,;6.61,-5.86,;6.61,-7.4,;5.27,-8.17,;5.27,-9.71,;6.6,-10.46,;6.61,-12,;5.27,-12.79,;3.93,-12,;3.94,-10.46,;7.94,-8.17,;9.29,-7.38,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:3.2,wD:5.7,(12.22,-9.08,;13.25,-7.93,;14.76,-8.24,;12.76,-6.47,;11.38,-5.77,;12.08,-4.41,;13.46,-5.09,;11.59,-2.95,;12.5,-1.69,;11.59,-.45,;10.13,-.94,;8.79,-.17,;7.46,-.94,;7.46,-2.48,;6.12,-3.25,;6.12,-4.79,;4.88,-5.7,;5.36,-7.16,;6.9,-7.17,;7.98,-8.25,;7.37,-5.7,;8.79,-3.25,;10.13,-2.48,)|
CN(C)[C@H]1C[C@H](Cc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1 |wU:3.2,wD:5.5,15.14,(19.87,-5.25,;19.38,-3.78,;20.41,-2.63,;17.88,-3.47,;16.6,-4.31,;15.76,-3.03,;14.25,-2.71,;13.76,-1.26,;14.67,-.01,;13.75,1.24,;12.29,.75,;10.96,1.52,;9.63,.74,;9.63,-.8,;8.28,-1.57,;8.28,-3.11,;7.05,-4.01,;7.53,-5.48,;9.07,-5.48,;10.15,-6.56,;9.54,-4.01,;10.96,-1.57,;12.29,-.79,;17.04,-2.18,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 |wU:3.2,wD:5.7,(14.1,-12.47,;15.13,-11.32,;16.64,-11.63,;14.64,-9.85,;13.26,-9.15,;13.96,-7.79,;15.34,-8.48,;13.47,-6.33,;14.38,-5.07,;13.46,-3.83,;12,-4.32,;10.66,-3.55,;9.33,-4.32,;9.33,-5.86,;7.99,-6.63,;7.99,-8.17,;9.33,-8.94,;10.74,-8.33,;11.2,-7.4,;11.77,-9.47,;11,-10.8,;10.59,-12.28,;12.33,-11.57,;9.5,-10.48,;8.69,-11.53,;10.66,-6.63,;12,-5.86,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Cc3nc(C)no3)cc12 |wU:5.7,wD:3.2,(17.25,-10.91,;15.75,-10.6,;14.73,-11.75,;15.26,-9.14,;15.96,-7.77,;14.59,-7.08,;13.89,-8.46,;14.1,-5.62,;15.01,-4.38,;14.08,-3.13,;12.63,-3.62,;11.29,-2.85,;9.96,-3.63,;9.96,-5.17,;8.62,-5.94,;8.62,-7.46,;7.39,-8.37,;7.86,-9.84,;6.95,-11.09,;9.4,-9.84,;9.88,-8.37,;11.29,-5.94,;12.63,-5.16,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3C)cc12 |wU:3.2,wD:5.7,(17.55,-9.96,;18.56,-8.8,;20.07,-9.12,;18.08,-7.35,;16.71,-6.66,;17.39,-5.28,;18.77,-5.97,;16.92,-3.83,;17.81,-2.57,;16.9,-1.33,;15.43,-1.82,;14.1,-1.05,;12.77,-1.83,;12.77,-3.37,;11.43,-4.14,;11.43,-5.68,;10.2,-6.58,;10.67,-8.05,;12.21,-8.05,;13.3,-9.13,;12.68,-6.58,;14.22,-6.58,;14.1,-4.14,;15.45,-3.36,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CCN3C(=O)c4ccccc4C3=O)cc12 |wU:3.2,wD:5.7,(14.1,-12.47,;15.13,-11.32,;16.64,-11.63,;14.64,-9.85,;13.26,-9.15,;13.96,-7.79,;15.34,-8.48,;13.47,-6.33,;14.38,-5.07,;13.46,-3.83,;12,-4.32,;10.66,-3.55,;9.33,-4.32,;9.33,-5.86,;7.99,-6.63,;7.99,-8.17,;6.66,-8.94,;6.49,-10.48,;7.64,-11.51,;4.99,-10.8,;4.23,-12.12,;2.69,-12.13,;1.92,-10.79,;2.69,-9.46,;4.23,-9.47,;5.26,-8.31,;4.93,-6.82,;10.66,-6.63,;12,-5.86,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC(=O)NCc3ccccc3)cc12 |wU:5.7,wD:3.2,(10.69,-8.83,;11.7,-7.68,;13.21,-7.99,;11.22,-6.21,;11.91,-4.84,;10.53,-4.15,;9.85,-5.53,;10.06,-2.69,;10.95,-1.45,;10.04,-.19,;8.57,-.68,;7.24,.09,;5.91,-.7,;5.91,-2.24,;4.56,-3.01,;4.56,-4.55,;5.91,-5.32,;3.24,-5.32,;3.24,-6.86,;1.9,-7.63,;1.91,-9.15,;.58,-9.92,;-.76,-9.15,;-.76,-7.59,;.57,-6.84,;7.24,-3.01,;8.59,-2.22,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CN3C(=O)NC(C)(C)C3=O)cc12 |wU:3.2,wD:5.7,(4.42,-3.82,;5.43,-2.68,;6.93,-2.98,;4.95,-1.21,;3.58,-.52,;4.25,.84,;5.64,.16,;3.79,2.31,;4.67,3.56,;3.76,4.82,;2.31,4.31,;.96,5.08,;-.37,4.31,;-.37,2.77,;-1.69,2,;-1.69,.47,;-.46,-.47,;.58,-.4,;-.96,-1.92,;-2.5,-1.9,;-3.99,-2.29,;-2.1,-3.38,;-2.95,-.4,;-4.26,-.23,;.96,2,;2.32,2.78,)|
CC1(C)NC(=O)N(CCc2ccc3[nH]cc([C@H]4C[C@H](N)C4)c3c2)C1=O |wU:18.18,wD:16.15,(10.59,-12.28,;11,-10.8,;12.33,-11.57,;11.77,-9.47,;10.74,-8.33,;11.2,-7.4,;9.33,-8.94,;7.99,-8.17,;7.99,-6.63,;9.33,-5.86,;9.33,-4.32,;10.66,-3.55,;12,-4.32,;13.46,-3.83,;14.38,-5.07,;13.47,-6.33,;13.96,-7.79,;13.26,-9.15,;14.64,-9.85,;15.13,-11.32,;15.34,-8.48,;12,-5.86,;10.66,-6.63,;9.5,-10.48,;8.69,-11.53,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(cc12)C(=O)NCc1ccccc1 |wU:5.7,wD:3.2,(17.75,-10.38,;16.25,-10.05,;15.22,-11.22,;15.76,-8.61,;16.46,-7.23,;15.08,-6.53,;14.38,-7.91,;14.59,-5.09,;15.5,-3.83,;14.59,-2.59,;13.13,-3.08,;11.79,-2.31,;10.46,-3.08,;10.46,-4.62,;11.79,-5.39,;13.13,-4.62,;9.12,-5.39,;7.79,-4.62,;9.12,-6.93,;7.79,-7.7,;7.79,-9.23,;9.12,-10,;9.12,-11.52,;7.79,-12.31,;6.45,-11.54,;6.46,-10,)|
N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:1.0,wD:3.5,(17.46,-8.49,;16.99,-7.03,;15.61,-6.33,;16.29,-4.97,;17.67,-5.65,;15.82,-3.51,;16.71,-2.25,;15.8,-1.01,;14.33,-1.5,;13,-.73,;11.67,-1.5,;11.67,-3.04,;10.34,-3.81,;10.34,-5.35,;9.1,-6.26,;9.57,-7.71,;11.11,-7.73,;12.2,-8.82,;11.58,-6.26,;13,-3.81,;14.35,-3.04,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC(N)=O)cc12 |wU:5.7,wD:3.2,(12.37,-11.41,;10.85,-11.09,;9.83,-12.25,;10.37,-9.64,;11.06,-8.26,;9.68,-7.57,;8.99,-8.94,;9.2,-6.11,;10.1,-4.85,;9.19,-3.62,;7.72,-4.11,;6.39,-3.34,;5.06,-4.11,;5.06,-5.65,;3.72,-6.42,;3.72,-7.94,;2.39,-8.73,;5.06,-8.73,;6.39,-6.42,;7.73,-5.65,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CN3C(=O)CNC3=O)cc12 |wU:3.2,wD:5.7,(19.43,-9.55,;20.44,-8.4,;21.95,-8.71,;19.97,-6.93,;18.59,-6.25,;19.27,-4.88,;20.66,-5.56,;18.8,-3.41,;19.71,-2.17,;18.78,-.92,;17.33,-1.41,;15.98,-.64,;14.65,-1.41,;14.65,-2.96,;13.32,-3.73,;13.32,-5.25,;12.06,-6.14,;10.76,-5.95,;12.52,-7.63,;14.06,-7.65,;14.56,-6.19,;15.6,-6.14,;15.98,-3.73,;17.33,-2.95,)|
N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Oc3ccccc3)cc12 |wU:1.0,wD:3.5,(12.4,-12.84,;11.92,-11.37,;10.55,-10.69,;11.23,-9.32,;12.61,-9.99,;10.76,-7.85,;11.65,-6.6,;10.74,-5.35,;9.27,-5.84,;7.94,-5.07,;6.61,-5.86,;6.61,-7.4,;5.27,-8.17,;5.27,-9.71,;6.6,-10.46,;6.61,-12,;5.27,-12.79,;3.93,-12,;3.94,-10.46,;7.94,-8.17,;9.29,-7.38,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(cc12)-c1nc(C)no1 |wU:5.7,wD:3.2,(14.71,-10.01,;15.74,-8.86,;17.26,-9.17,;15.25,-7.4,;15.95,-6.02,;14.57,-5.34,;13.88,-6.71,;14.09,-3.88,;14.99,-2.63,;14.09,-1.38,;12.62,-1.87,;11.29,-1.1,;9.96,-1.89,;9.96,-3.43,;11.29,-4.2,;12.62,-3.41,;8.63,-4.2,;7.14,-3.75,;6.28,-5.03,;4.74,-5.07,;7.21,-6.25,;8.68,-5.73,)|
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(cc12)C(N)=O |wU:5.7,wD:3.2,(14.61,-11.78,;15.62,-10.62,;17.13,-10.94,;15.14,-9.17,;15.83,-7.79,;14.45,-7.1,;13.77,-8.47,;13.98,-5.65,;14.87,-4.39,;13.96,-3.15,;12.49,-3.64,;11.16,-2.87,;9.83,-3.64,;9.83,-5.18,;11.16,-5.95,;12.51,-5.18,;8.49,-5.95,;8.49,-7.47,;7.16,-5.18,)|
CNS(=O)(=O)Cc1ccc2[nH]cc([C@H]3C[C@@H](C3)N(C)C)c2c1 |wU:15.17,wD:13.12,(6.67,-10.49,;8,-9.7,;7.98,-8.16,;9.47,-8.56,;6.49,-7.77,;7.98,-6.63,;9.32,-5.86,;9.32,-4.32,;10.65,-3.55,;11.98,-4.32,;13.44,-3.83,;14.36,-5.06,;13.45,-6.32,;13.94,-7.78,;13.24,-9.14,;14.62,-9.84,;15.32,-8.47,;15.11,-11.3,;16.61,-11.61,;14.08,-12.45,;11.98,-5.86,;10.65,-6.63,)|
CN[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:2.1,wD:4.6,(17.04,-8.2,;15.54,-7.89,;15.06,-6.42,;13.68,-5.72,;14.37,-4.36,;15.75,-5.05,;13.89,-2.9,;14.79,-1.64,;13.87,-.4,;12.41,-.89,;11.07,-.12,;9.74,-.89,;9.74,-2.43,;8.41,-3.2,;8.41,-4.74,;7.17,-5.65,;7.64,-7.12,;9.18,-7.12,;10.27,-8.21,;9.66,-5.65,;11.07,-3.2,;12.42,-2.43,)|
[H][C@]1(Cc2c[nH]c3ccc(CS(=O)(=O)NC)cc23)CCCN1C
CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Cc3n[nH]c(C)n3)cc12 |wU:5.7,wD:3.2,(17.25,-10.91,;15.75,-10.6,;14.73,-11.75,;15.26,-9.14,;15.96,-7.77,;14.59,-7.08,;13.89,-8.46,;14.1,-5.62,;15.01,-4.38,;14.08,-3.13,;12.63,-3.62,;11.29,-2.85,;9.96,-3.63,;9.96,-5.17,;8.62,-5.94,;8.62,-7.46,;9.88,-8.37,;9.4,-9.84,;7.86,-9.84,;6.95,-11.09,;7.39,-8.37,;11.29,-5.94,;12.63,-5.16,)|
CNC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
NCCCC1(CCCN)CCc2cccc(O)c2C1
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@]1(C)O[C@@]2(O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(C)C)N2C1=O)c34 |c:12|
O=C(C=Cc1ccccc1)N(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)Cc1cccnc1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)C=Cc1ccccc1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc5[nH]ccc5c4)CC3)cccc2n1
COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+]([O-])=O
Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(c4)[N+]([O-])=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c(c4)[N+]([O-])=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cc(Cl)ccc4Cl)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16|
COc1cc2CCN(C(=O)c3ccc(-c4cccc(C)n4)c4ccccc34)c2cc1N1C[C@H](C)N[C@H](C)C1
COc1cc2CCN(C(=O)Nc3cccc(Cl)c3F)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)c3ccc(-c4cccc(C)n4)c4ccccc34)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
CCCN1[C@@H](C)CN(C[C@H]1C)c1cc2N(CCc2cc1OC)C(=O)c1ccc(-c2cccc(C)n2)c2ccccc12
COc1cc2CCN(C(=O)Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C)CC1
COc1cc2CCN(C(=O)Oc3cccc(c3Cl)C(F)(F)F)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)c2cc1N1C[C@H](C)N[C@H](C)C1
COc1cc2CCN(C(=O)Oc3cccc(c3F)C(F)(F)F)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)C(C)=O)c2cc1N1C[C@H](C)N[C@H](C)C1
CN1CCN(CC1)c1cc2N(CCc2cc1Cl)C(=O)Nc1ccc(-c2ccncc2)c2ccccc12
COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccccc3C)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)Cc3cccc(c3)[N+]([O-])=O)c2cc1N1CCN(C)CC1
COc1cc2CCN(C(=O)c3cccc(Cl)c3Cl)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)c3ccc(cc3)-c3cc(C)ncc3C)c2cc1N1C[C@H](C)N[C@H](C)C1
COc1cc2CCN(C(=O)c3cccc(Cl)c3)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)Cc3cccc(Cl)c3F)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)Nc3cccc(Cl)c3Cl)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(nc3C)N3CCCC3=O)c2cc1N1C[C@H](C)N[C@H](C)C1
CCN1[C@@H](C)CN(C[C@H]1C)c1cc2N(CCc2cc1OC)C(=O)c1ccc(-c2cccc(C)n2)c2ccccc12
COc1cc2CCN(C(=O)Cc3cccc(F)c3C(F)(F)F)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)c3ccc(-c4cccc(C)n4)c4ccccc34)c2cc1N1CCN(C)CC1
COc1cc2CCN(C(=O)Nc3cccc(c3Cl)C(F)(F)F)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)Cc3cccc(c3)[N+]([O-])=O)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)-c3ncccn3)c2cc1N1C[C@H](C)N[C@H](C)C1
COc1cc2CCN(C(=O)Nc3cccc(c3F)C(F)(F)F)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)Cc3cccc(c3F)C(F)(F)F)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1
CC(C)(CCCN1CCCC(C1)c1ccccc1)S(=O)(=O)c1ccccc1
CC(C)(CCCN1CCCC(C1)C(F)(F)F)S(=O)(=O)c1ccccc1
CC(C)(CCCN1CCCC(C1)c1cnco1)S(=O)(=O)c1ccccc1
CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)ccc(F)c2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)c(F)ccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(cc2n1)C#N
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)ccc(Cl)c2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(F)cc2n1
COc1cc2CCN(c2cc1N1C[C@H](C)N(C)[C@H](C)C1)S(=O)(=O)c1cccc(Br)c1
CCOc1ccc(CC(=O)N2CCc3cc(OC)c(cc23)N2C[C@H](C)N(C)[C@H](C)C2)cc1Cl
COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)-c1cccs1)N1C[C@H](C)N[C@H](C)C1
COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(C)o1)N1C[C@H](C)N[C@H](C)C1 |r|
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CN[C@@H](COc1cccc(Cl)c1Cl)c1ccccc1
CN1CCN(CCOc2ccc(Br)cc2Br)CC1
CNC(C)COc1c(Br)cccc1Br
CNC(C)COc1cccc(Cl)c1Cl
CN1CCN(CC1)[C@@H](COc1cccc(Cl)c1Cl)c1ccccc1
CNC(C)COc1cc(Cl)ccc1Cl
CNC(C)COc1ccc(Cl)cc1Cl
CNCCOc1ccc(Cl)cc1Cl
CNCCOc1ccc(Br)cc1Br
CN1CCN(CC1)[C@H](COc1cccc(Cl)c1Cl)c1ccccc1
CNC(C)COc1cccc(Oc2ccccc2)c1
CNCCOc1cc(Cl)ccc1Cl
CNCCOc1cccc(Cl)c1Cl
CNC(C)COc1ccc(Br)cc1Br
CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]ccc3c2C1
CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCC)[C@H]1CCc2ccc3[nH]ccc3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(c3c2C1)S(C)(=O)=O
CCCNC1CCc2cc(F)ccc2C1
CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C#N)c3c2C1
CCCN(CCC)C1CCc2cc(F)c3n(C)cc(C=O)c3c2C1
CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1
CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(CC(F)(F)F)c3c2C1
CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCC)[C@@H]1CCc2ccc3[nH]ccc3c2C1
CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1
CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
CCCN(CCC)C1CCc2cc(F)c3n(C)ccc3c2C1
CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
CCCN(CCC)C1CCc2ccc3n(C)cc(C=O)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]ccc3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(F)(F)F)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C#N)c3c2C1
CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]ccc3c2C1
CCCN(CCC)C1CCc2c(C1)ccc(F)c2N
CCCN(CCC)C1CCc2ccc3NC(=O)Cc3c2C1
CCCN(CCC)C1CCc2cc(F)c3[nH]cc(CCC)c3c2C1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
CCCN(c1ccncc1)n1ccc2ccccc12
CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
CN(C)CCc1c[nH]c2ccc(OC(=O)C(C)(C)C)cc12
CC(C)C(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
CCCCCCCCCOc1ccc2[nH]c3CN(C)CCc3c2c1
NCCc1c[nH]c2ccc(OCCCCC3CCCCC3)cc12
CCc1ccc2[nH]cc(CCN)c2c1
CCCCCCCCCOc1ccc2[nH]cc(CCNCCCC)c2c1
CC(C)(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
CCCOc1ccc2[nH]cc(CCN)c2c1
CCCCCCCCCOc1ccc2[nH]cc(CC(C)N)c2c1
CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
CC(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
CCCCCCCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
CCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
CCCCCCOc1ccc2[nH]c3CCC(N)Cc3c2c1
CCCCCCCCCOc1ccc2[nH]c3CCC(N)Cc3c2c1
CCCCCCCCCCc1ccc2[nH]c3CCC(N)Cc3c2c1
CCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1
CCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
CCCCCOc1ccc2[nH]cc(CCN)c2c1
CCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
COc1ccc2[nH]c3CCC(N)Cc3c2c1
CCCCCCCCCCc1ccc2[nH]cc(CCN)c2c1
CC(=O)c1ccc2[nH]cc(CCN)c2c1
COc1ccc2[nH]c3CCC(Cc3c2c1)N(C)C
CCc1ccc2[nH]cc(CCN(C)C)c2c1
NC1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
CC[C@H]1c2cc(C)ccc2OC[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|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
COc1cccc2OCC3(CCCN3CCCCN3C(=O)CC4(CCCC4)CC3=O)Cc12
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
CCCN1CCCC11COc2ccccc2C1
COc1cccc2OCC3(CCCCN3CCCCNC(=O)c3ccc(F)cc3)Cc12
COc1cccc2OCC3(CCC(=O)N3)Cc12
CCCN1CCCCC11COc2cccc(OC)c2C1
CCCN1C(=O)CCC11COc2cccc(OC)c2C1
CCCN1CCCC11COc2cccc(OC)c2C1
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCCC11COc2ccccc2C1
CCCN1CCCC11COc2cccc(OCCCCN3C(=O)CC4(CCCC4)CC3=O)c2C1
COc1cccc2OCC3(CCCCN3CCCCNS(=O)(=O)c3ccc(C)cc3)Cc12
CCCN1CCCC11COc2cccc(O)c2C1
COc1cccc2OCC3(CCCN3C(C)=O)Cc12
O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
COc1cccc2OCC3(CCCN3)Cc12
COc1cccc2OCC3(CCCCN3CCCCN3C(=O)CC4(CCCC4)CC3=O)Cc12
CCCN(CCC)C1COc2cccc(OC)c2C1
CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
NCCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
NCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
NCCc1c[nH]c2ccc(OCCNC(=O)NCCOc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCCCCCCNS(=O)(=O)c3ccc(cc3)-c3ccc(cc3)S(=O)(=O)NCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCc3ccccc3COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCCN3CCN(CCOc4ccc5[nH]cc(CCN)c5c4)CC3)cc12
NCCc1c[nH]c2ccc(OCCN3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCc3cccc(COc4ccc5[nH]cc(CCN)c5c4)c3)cc12
NCCc1c[nH]c2ccc(OCC(=O)N3CCC(CC3)C3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(cc3)N3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCC(=O)NCCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCC(=O)N3CCNCC3)cc12
CC(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
COc1ccccc1C1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](C1)OCc1ccccc1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](CNCc2ccccc2)C1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCCC1
C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](COCc2ccccc2)C1
CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccccc1
CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1
CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
C(CN1CCCCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CN(Cc1ccccc1)[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCCCC1
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F
C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CN1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CC(=O)Nc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
CN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Fc1cc(F)cc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1
COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
COc1ccc(cc1C#CCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(Cc4ccccc4C)CC3)cc12
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4OCCOc34)cc12
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3c(C)cc(C)cc3C)cc12
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C)cc12
COc1ccc2ccc(cc2c1)N1CCNCC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C2=NOC(C)N2)cc1N1CCN(C)CC1 |t:24|
CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
Cn1c2ccc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
Cn1c2ccc(CCN3CCN(CC3)c3ccc(F)cc3)cc2sc1=O
COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1
Cn1c2ccc(CCN3CCN(CC3)c3ccccc3O)cc2sc1=O
Cn1c2ccc(CCN3CCN(CC3)c3ccccc3)cc2sc1=O
CN1C(=O)COc2cc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
Cn1c2ccc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
Oc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCCCc2ccc3n(C)c(=O)sc3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCc2ccc3N(C)C(=O)COc3c2)CC1
O=c1[nH]c2ccc(CCN3CCN(CC3)c3ccccc3)cc2s1
COc1ccccc1N1CCN(CCc2ccc3n(C)c(=O)sc3c2)CC1
CNC(=O)c1ccc2[C@@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1
COc1ccc(cc1)N1CCN(CCC2OCCc3cc(ccc23)C(N)=O)CC1
COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3cc(ccc23)C(N)=O)CC1
CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1 |r|
COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3cc(ccc23)C(N)=O)CC1
COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|
Cc1cc(Br)cc(C)c1CC1=NCCN1 |t:11|
[O-][N+](=O)c1ccc(CC2=[NH+]CC[N-]2)cc1 |t:8|
Cc1ccc(CC2=NCCN2)c(C)c1OCc1ccccc1 |t:6|
Brc1ccc(CC2=NCCN2)cc1 |t:6|
Cc1ccc(O)c(C)c1CC1=NCCN1 |t:11|
Cc1cc(ccc1CC1=NCCN1)C(C)(C)C |t:9|
C(C1=NCCN1)c1ccccc1 |t:1|
CC(C)c1ccc(CC2=NCCN2)cc1 |t:8|
Cc1ccc(CC2=NCCN2)c(C)c1O |t:6|
CC(C)(C)c1ccc(CC2=NCCN2)cc1 |t:9|
CN1CCN=C1Cc1c(C)cc(cc1C)C(C)(C)C |c:4|
Cc1cc(C)c(CC2=NCCN2)c(C)c1 |t:7|
Cc1cccc(C)c1CC1=NCCN1 |t:10|
CCCCc1ccc(CC2=NCCN2)cc1 |t:9|
Cc1cc(cc(C)c1CC(N)=N)C(C)(C)C
CCCc1ccc(CC2=NCCN2)cc1 |t:8|
Nc1ccc(CC2=NCCN2)cc1 |t:6|
CC(C)c1cc(C)c(CC2=NCCN2)c(C)c1 |t:9|
Cc1cc(cc(C)c1CCN)C(C)(C)C
CN1CCN=C1Cc1ccccc1 |c:4|
COc1cccc(CC2=NCCN2)c1 |t:8|
CNCCc1c(C)cc(cc1C)C(C)(C)C
CCc1ccc(CC2=NCCN2)cc1 |t:7|
C(C1=NCCN1)c1ccc(cc1)-c1ccccc1 |t:1|
Oc1cccc(CC2=NCCN2)c1 |t:7|
CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12
CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4cccc(N5CCN(C)CC5)c4c3)cc12
CCCN(CCC)C1CCc2cccc(OCCCCCCOc3cccc4CCC(Cc34)N(CCC)CCC)c2C1
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)cc12
CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
CN1CCN(CC1)c1cccc2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
C(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CNCCc1c[nH]c2ccc(cc12)C(C)(C)C
CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccn2)C1
CC(=O)N(C[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1
C(Cc1c[nH]c2ccc(Cn3cncn3)cc12)N1CC[C@@H](CNCc2ccccc2)C1
C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1)c1ccccc1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNc2ccccc2)C1
CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4C)cc23)C1)Cc1ccccc1
CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)Cc1ccccc1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCC[C@H]1COCc1ccccc1
C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
CN(C[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-n1cnnc1)Cc1ccccc1
C(Cc1ccccc1)NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
C=CCNC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN3CC[C@@H](CNCc4ccccc4)C3)c2c1
C(CN1CC[C@@H](COCc2ccccc2)C1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1
C[C@H](N(C)C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccco2)C1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCC1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](C1)OCc1ccccc1
O[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
O=C1N[C@@H](Cc2ccc3[nH]cc(CCN4CC[C@@H](CNCc5ccccc5)C4)c3c2)CO1
OC[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccncc2)C1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2cccnc2)C1
CC(=O)Nc1ccc(CNC[C@@H]2CCN(CCc3c[nH]c4ccc(cc34)-n3cnnc3)C2)cc1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCC[C@@H]1COCc1ccccc1
OC[C@@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
CC(C)(NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccoc2)C1
C[C@@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
OC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
CN(C[C@@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1
Fc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
CN(C)C(=O)C(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
N#Cc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
C(CN1CCN(Cc2ccncc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
C(CN1CCN(CC1)c1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
OCC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
C(CN1CCOCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
FC(F)(F)c1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
CC(=O)Nc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
CN1CCN(CCCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
O=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1Cc1ccccc1
Clc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
C(CN1CCN(Cc2ccoc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
C(CN1CCN(Cc2ccco2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
C(CN1CCN(CCc2cccnc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
NC(=O)C(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
C(CN1CCN(CC1)c1ncccn1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
C(CN1CCNCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
C(CN1CCN(Cc2ncc[nH]2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
C(CN1CCN(Cc2cccnc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Cc1noc(n1)-c1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
O=C1CN(Cc2ccccc2)CCN1CCCc1c[nH]c2ccc(cc12)-n1cnnc1
C(CN1CCN(CCCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
C(CN1CCN(Cc2ccccn2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CC(CN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
S=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1Cc1ccccc1
O=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1CCc1ccccc1
CNCC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
CN(Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F |r|
F[C@@H]1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC[C@@H]1NCc1ccccc1C(F)(F)F |r|
CC(CN1CCN(CC(F)(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
F[C@H](CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 |r|
FC(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
FC(F)(F)c1ccccc1CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
FC(F)(CN1CCC(CC1)OCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
F[C@H]1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC[C@@H]1NCc1ccccc1C(F)(F)F |r|
CN(Cc1ccccc1)C1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
FC(CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CN(Cc1ccccc1)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F
CN(Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]1F |r|
CN(Cc1ccccc1)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]1F |r|
CC(CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
CC(CN1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Fc1ccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Fc1ccccc1CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
FC(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
FC(CN1CCC(CC1)OCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Fc1ccccc1CCC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
FC(F)(CN1CCC(COc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
FC(CN1CCN(CCc2ccc(F)cc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
FC1(CCc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
FC(CN1CCN(CCc2ccccc2F)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CC(CN1CCN(CC(F)(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
CC(CN1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1F
Fc1cccc(CCN2CCN(CC(F)(F)Cc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
CC(CN1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1cccc(F)c1
FC(F)(CN1CCC(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CN(Cc1ccccc1)C1CCN(CC(F)(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
FC(F)(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Fc1cccc(CC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
OC(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
CCCN[C@H]1CCc2c(sc(n2)N)C1
CN(Cc1ccc(NC(C)=O)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)[C@H](O)c1ccccc1
C[C@H](O)[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
CN(Cc1cccs1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
OCCC(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)[C@@H](O)c1ccccc1
CN(CCC=C(C)C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 |(15.54,-6.09,;14.49,-4.94,;14.97,-3.47,;16.48,-3.15,;16.95,-1.68,;18.45,-1.36,;18.91,.1,;19.49,-2.5,;13.01,-5.26,;12.53,-6.73,;11.03,-7.06,;10.01,-5.91,;8.5,-6.25,;8.04,-7.72,;6.54,-8.04,;6.07,-9.51,;6.99,-10.74,;6.09,-12.02,;4.61,-11.54,;3.27,-12.31,;1.93,-11.54,;1.93,-10.01,;3.27,-9.24,;4.59,-10.01,;.61,-9.24,;.45,-7.7,;-1.06,-7.38,;-1.83,-8.72,;-.79,-9.87,;10.45,-4.45,;11.96,-4.13,)|
OC[C@@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
CN(Cc1ccsc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
C[C@@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
C[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CN(Cc1ccco1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
C[C@@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
CN(CC=C(C)C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 |(18.82,-5.86,;17.8,-4.72,;18.27,-3.25,;19.77,-2.93,;20.23,-1.45,;21.74,-1.13,;19.21,-.32,;16.29,-5.04,;15.81,-6.5,;14.32,-6.84,;13.3,-5.68,;11.79,-6.02,;11.32,-7.5,;9.82,-7.82,;9.37,-9.29,;10.29,-10.54,;9.37,-11.8,;7.89,-11.32,;6.55,-12.09,;5.23,-11.32,;5.23,-9.78,;6.55,-9.02,;7.89,-9.78,;3.89,-9.02,;3.73,-7.48,;2.22,-7.16,;1.45,-8.5,;2.5,-9.65,;13.75,-4.23,;15.26,-3.91,)|
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccccc1
C(CN1CCC(CNCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)Nc1ccccc1
C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cncn2)CC1)c1ccccc1
C(CN1CCC(CC1)NCc1cccnc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CN(CC1CC1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CC(=O)Nc1ccc(CCNC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
C[C@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
CC(CO)(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
CN(C)C[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccc(cc1)S(C)(=O)=O
CN(C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)Nc1ccccc1
C[C@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccc(NC(C)=O)cc1
CS(=O)(=O)NC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
CN(Cc1ccoc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
C(CN1CCC(CC1)NCc1ccoc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
OC[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cncn2)CC1)c1ccccc1
NC(=O)OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
OC[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)S(=O)(=O)c1ccccc1
CC(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
C(CN1CCC(CC1)NC1CCc2ccccc12)Cc1c[nH]c2ccc(cc12)-n1cnnc1
C[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1
CN([C@@H](CO)c1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
CN(CCc1ccc(NC(C)=O)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
C(CN1CCC(CC1)NCc1ccncc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCC(CC3)N[C@H](C)c3ccccc3)c2c1
C(CN1CCC(CNC2CCc3ccccc23)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)CC1)c1ccccc1
C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1
CC#CCN(C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
O=c1[nH]c2ccccc2n1C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
C[C@@H](O)[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
CC(=O)Nc1ccc(CNCC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
O=S(=O)(NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
OC[C@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)Nc1ccccc1
OC[C@@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)[C@@H](CO)c1ccccc1
CN(C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)S(=O)(=O)c1ccccc1
CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)c1ccc(NC(C)=O)cc1
C(CN1CCC(CC1)N1CCCCC1c1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
O[C@H]1Cc2ccccc2C1NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CN(CC=C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CN([C@H](CO)c1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccc(F)cc1
C(CN1CCC(CC1)NCc1ccccn1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
CC(=O)Nc1ccc(CNC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
C(CN1CCC(CNc2ccccn2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
CN(Cc1ccc(cc1)S(C)(=O)=O)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CN(CC1CCCCC1)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CN(CC(C)(C)C)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CN(CC1CC1)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CC(C)(C)OC(=O)NCC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CC(C)CN(C)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
OC1(CNCC2CC2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
OC1(CNCc2ccccn2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CC(C)(C)CNCC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
OC1(CNCc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CN(Cc1ccccc1C)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CC(=O)Nc1ccc(CNCC2(O)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
CC1(C)CCCN(CC2(O)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)C1
Cc1ccccc1CNCC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
CN(Cc1ccccc1)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
OC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Clc1ccc(cn1)C1=CCNCC1 |t:8|
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=O)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1OS(C)(=O)=O
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1O
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OS(=O)(=O)C(F)(F)F
COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1O
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1OCCN(C)C
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cccc(F)c23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(F)cc23)cc1OCCN(C)C
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(cc23)C#N)cc1N1CCN(C)CC1
COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(cc23)C(N)=O)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(C2)c2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1
CN1CCC2(COc3ccc(NC(=O)N4CCC(CC4)c4c[nH]c5ccc(F)cc45)cc23)CC1
COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1
CN1CCC2(COc3ccc(NC(=O)NCCN4CCC(CC4)c4c[nH]c5cc(F)ccc45)cc23)CC1
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccccc23)cc1N1CCN(C)CC1
CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1
C(Cc1c[nH]c2ccc(cc12)-c1cccs1)N1CCCC1
COC[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-c1cccs1
OC[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-c1cccs1
CN(C)CCc1c[nH]c2ccc(cc12)-c1ccc(C)s1
CN(C)CCc1c[nH]c2ccc(cc12)-c1cccs1
NCCc1c[nH]c2ccc(cc12)-c1cccs1
CN(C)CCc1c[nH]c2ccc(cc12)-c1ccsc1
Clc1ccc(s1)-c1ccc2[nH]cc(CCN3CCCC3)c2c1
CN(C)CCc1c[nH]c2ccc(cc12)-c1ccc(Cl)s1
CC1CCC(C)N1CCc1c[nH]c2ccc(cc12)-c1cccs1
C(Cc1c[nH]c2ccc(cc12)-c1cccs1)N1CC=CC1 |c:21|
CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
CC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
CC(C)c1ccc2[nH]cc(CCN(C)C)c2c1
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C(C)(C)C
CCc1ccc2[nH]cc(CCN3CCCC3)c2c1
CCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
CC(C)(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
CN1CCC[C@@H]1Cc1c[nH]c2ccc(C)cc12
C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)|
Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
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)[C@H]1Cc2cn(c3cccc([C@@H]1O)c23)S(=O)(=O)c1ccc(C)cc1
CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
CN1CCN=C1Cc1cccnc1 |c:4|
OC1(CCC(CC1)N1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1 |(5.23,1.3,;4.83,-.19,;5.88,-1.03,;7.64,-.99,;7.91,-2.53,;6.93,-1.73,;5.09,-1.73,;9.45,-2.53,;10.2,-1.2,;11.74,-1.2,;12.51,-2.53,;14.05,-2.53,;14.82,-3.86,;14.05,-5.19,;14.82,-6.52,;16.36,-6.52,;17.13,-5.18,;16.36,-3.86,;11.74,-3.86,;10.22,-3.86,;3.29,-.17,;2.5,-1.5,;.98,-1.5,;.21,-.16,;-1.31,.18,;-1.45,1.72,;-.02,2.33,;.99,1.17,;2.53,1.16,)|
COc1cccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1 |(19.14,-2.99,;18.39,-4.34,;16.85,-4.34,;16.08,-5.68,;14.54,-5.68,;13.77,-4.35,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-3.02,;9.92,-3.02,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;4.53,.65,;4.93,2.14,;5.58,-.17,;7.35,-.15,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;16.08,-3.02,)|
Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(c3)C#N)nc12
CCCCCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCC3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(F)c3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CC3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccsc3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
CN1CCC(CC1)c1c[nH]c2cnc(NC(C)=O)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccoc3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)[N+]([O-])=O)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3C)nc12
CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
CN1CCC(CC1)c1c[nH]c2ccc(N)nc12
COc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
CN1CCC(CC1)c1c[nH]c2cnc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)Nc3ccc(F)cc3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCCC3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(OS(C)(=O)=O)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccs3)nc12
COc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccco3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)C#N)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccncc3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NS(C)(=O)=O)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(C)c3)nc12
CN1CCC(CC1)c1c[nH]c2cnc(NC(=O)c3ccc(F)cc3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccn3)nc12
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(C)cc1 |t:19|
COc1ccc(NC(=O)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccccc1 |t:19|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)NC1CCCCC1 |t:19|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1cccc2ccccc12 |t:19|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)S(=O)(=O)c1ccc(C)cc1 |t:19|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(C)cc1 |t:19|
COc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 |c:15|
COc1ccc(NC(=S)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:19|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)NC1CCCCC1 |t:19|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)S(=O)(=O)c1cccc2ccccc12 |t:19|
CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1 |t:16|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(Cl)cc1 |t:19|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |t:19,TLB:28:29:33:27.26.32,THB:28:27:33:29.34.30|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |t:19,TLB:32:31:34:27.26.28,32:27:34:31.33.30|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(Cl)cc1 |t:19|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1cccc2ccccc12 |t:19|
CC1=NCCc2c1[nH]c1ccccc21 |t:1|
COc1ccc2c3CCNCc3[nH]c2c1
COc1ccc2c(c1)[nH]c1c(C)nccc21
COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
Cc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
COc1ccccc1-c1n[nH]cc1N1CCCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
C1CNCCN(C1)c1c[nH]nc1-c1ccccc1
COc1ccccc1-c1n[nH]cc1N1CCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
C1CN(CCN1)c1c[nH]nc1-c1ccccc1
Clc1ccccc1-c1n[nH]cc1N1CCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Fc1ccccc1-c1n[nH]cc1N1CCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
COc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15|
Clc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
COc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15|
O=S(=O)(N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6|
O=S(=O)(N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6|
Clc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
Cc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
Cc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C12CC3CC(CC(C3)C1)C2 |c:6,TLB:28:29:33:26.27.32,THB:28:27:33:34.29.30,30:31:26:34.29.28,30:29:26:33.31.32|
S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6|
C(Cc1c[nH]c2ccc(cc12)C1=CCNCC1)N1CCCC1 |t:13|
S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6|
S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C1CCCCC1 |c:6|
O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6|
O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6|
Cc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C12CC3CC(CC(C3)C1)C2 |c:6,TLB:28:29:33:26.27.32,THB:28:27:33:34.29.30,30:31:26:34.29.28,30:29:26:33.31.32|
Clc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C1CCCCC1 |c:6|
COc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15|
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2c(F)cc(F)cc2F)n1
Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
CNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CN(C)C)ccc1Cl
CCN(CC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
CCCN(CCC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
CNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
CCN(CC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCN(CCC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(ccc1Cl)C1CCNC1
COc1ccccc1-c1cc(ccc1Cl)C1CCN(C)C1
Cc1cc(cc(C)c1CC1=NCCCN1)C(C)(C)C |t:10|
Cc1cc(cc(C)c1CC1=NCCN1Cc1ccccc1)C(C)(C)C |t:10|
[#6]-c1cccc(-[#6])c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Cc1cc(cc(C)c1\[NH+]=C1\NCC[N-]1)[N+]([O-])=O
[#6]-c1cc(Br)cc(-[#6])c1\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
[#6]-c1cc(cc(-[#6])c1\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)C([#6])([#6])[#6]
Clc1cc(I)cc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/c1ccccc1
c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
CN1CCC(CC1)n1ccc2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)c1n[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)n1ncc2ccc(NC(=O)c3ccc(F)cc3)cc12
Cc1ccc(N2CCN([11CH3])CC2)c2oc(cc(=O)c12)C(=O)Nc1ccc(cc1)N1CCOCC1
CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F
CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 |r|
CN(C)CCc1c(C)[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
[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]
Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CCN(CC4)C(=O)C)F
COc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1 |t:10|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1 |t:13|
CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cncc4ccccc34)c(=O)c21
COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
COc1c(Cl)cccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3OCc3ccccc3)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3nccc4ccccc34)c(=O)c21
COc1ccc2ccccc2c1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
COc1ccc(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3Oc3ccccc3)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4cnccc34)c(=O)c21
CC(C)Oc1ccccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4cccnc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccncc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccc4ccccc4n3)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccsc34)c(=O)c21
COc1ccccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4CCOc34)c(=O)c21
COc1cc(Cl)ccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3C)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ncccc34)c(=O)c21
COc1ccc(cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1)C(F)(F)F
COc1ccc(cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1)-c1ccccc1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3OCC(C)(C)C)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3C#N)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ncnc4ccccc34)c(=O)c21
COc1cc(Cl)c(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
COc1ccc(C)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
COc1ccc(OC)c(c1)N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccccc34)c(=O)c21
C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
C[C@H](N)Cn1ncc2ccc(O)cc12
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
COc1cc(N2CC[C@@H](C2)N(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
CN1CCN(CC1)c1cc(F)cc2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1
COc1cc(N2CC[C@H](C2)N(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
COc1cc(N(C)C2CCN(C)C2)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
COc1cc(N(C)CCCN(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
CCN(C1CCN(CC)C1)c1cc(OC)cc2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1
COc1cc(N2CCN(C)CC2)c2nc(cc(N(C)C)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
COc1cc(N(C)CCN(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
COc1cc(nc2c(cc(F)cc12)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1
COc1cc(N2CCN(C)CC2)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
CNc1cc(nc2c(cc(OC)cc12)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1
COc1cc(N2CCCN(C)CC2)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
C(Oc1cccc2C=C(CN3CCOCC3)COc12)C1COCCN1 |t:7|
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(Cl)c2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
CN1CCN(CC1)c1cccc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12
CC(C)N1CCN(CC1)C1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12 |w:9.9|
OCC1(CCCC1)N1CCN(CC1)C1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12 |w:13.14|
OCC1(CCCC1)NCCCC1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12 |w:11.11|
CC1CC(CC1C)N1CCN(CC1)C1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12 |w:13.14,3.7,1.0,5.6|
OCC1CCCN(CCCC2CCCc3ccc(OCc4noc(n4)-c4ccc(Cl)cc4)cc23)C1 |w:10.9,2.1|
C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1
OC(=O)c1cc(-c2ccc(cc2)C2=CC3(CNC3)C2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F |t:13|
[H][C@]12CNC[C@]1([H])CC(O)(C2)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
[H][C@]12C[C@]([H])(CNC1)[C@]2(O)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
OC(=O)c1cc(-c2ccc(cc2)C2CCCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13|
C[C@H]1CN(CCN1CC[C@@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13|
C[C@@H]1CN(CCN1CC[C@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12
C[C@@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12
NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1
C[C@@H]1CN(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 |w:9.9|
C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13|
C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1ccc2cc(F)ccc2c1
C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(ccc12)C#N
C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(ccc12)C#N |w:17.17,c:15,t:13|
NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc4cc(F)ccc4c3)OCCc2c1
Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
CC(C)Oc1c(cn2cc(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)C6CC6
COc1cc([Se]C(F)(F)F)c(OC)cc1CCN
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(Cc4cccc(CN5CCC(CC5)c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)c4)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(C\C=C\CN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CC(N4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)C(F)(F)F)CC3)c2c1
OC(=O)CCCCCCCCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
CN(C)CCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCN4CCCCC4)CC3)c2c1
OCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
CCCCCCCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
NC(=O)C(CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12)N1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(N)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
FC(F)(F)c1nc2cccc(OCCN3CCN(CC3)c3cccc4[nH]c(nc34)C(F)(F)F)c2[nH]1
CN1CCN(C[C@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1 |r|
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
COc1cccc2CCC(N)Cc12
COc1cc2ccccc2c2CCC(N)Cc12
CCCN(CCC)C1CCc2c(C)ccc(O)c2C1
CCCN(CCC)C1CCc2c(C)ccc(OC)c2C1
COc1ccc(C)c2CCC(N)Cc12
COc1c2CC(N)CCc2cc2ccccc12
CCCN(CCC)C1CCc2cc3ccccc3c(O)c2C1
CCCN(CCC)C1CCc2c(C1)c(OC)cc1ccccc21
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2c(C)cccc2C)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NCC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
CN1CCN(CC1)c1cc(OC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1N1CCN(C)CC1
COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
CN1CCN(CC1)c1cc(OCC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
COc1ccc(NC(=O)N2CCN(CC2)c2cccc3CCCCc23)cc1N1CCN(C)CC1
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc(=O)c3cc(F)cc(N4CCN(C)CC4)c3o2)cc1
COc1cc2CC[C@@H](Oc2c(c1)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1 |r|
Cc1n[nH]c(C)c1-c1ccc(C)c2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1 |(-3.14,-20.26,;-4.6,-20.73,;-5.08,-22.2,;-6.62,-22.2,;-7.1,-20.74,;-8.56,-20.26,;-5.85,-19.83,;-5.85,-18.28,;-7.18,-17.51,;-7.18,-15.97,;-5.85,-15.2,;-5.86,-13.66,;-4.52,-15.96,;-3.19,-15.18,;-3.2,-13.64,;-1.84,-15.95,;-1.84,-17.5,;-3.17,-18.27,;-4.51,-17.51,;-.5,-18.26,;-.5,-19.8,;.83,-17.49,;2.16,-18.25,;2.16,-19.8,;3.5,-20.56,;4.83,-19.79,;4.82,-18.24,;3.48,-17.48,;6.17,-20.55,;6.16,-22.09,;7.49,-22.85,;8.83,-22.08,;8.82,-20.54,;7.49,-19.77,)|
COC1(CCOCC1)c1ccc(NC(=O)c2cc(=O)c3cc(F)cc(-c4c(C)nn(C)c4C)c3o2)cn1 |(27.97,-16.65,;26.65,-17.44,;26.66,-18.99,;26.66,-20.53,;27.99,-21.29,;29.33,-20.52,;29.33,-18.98,;27.99,-18.21,;25.33,-18.23,;24,-19,;22.66,-18.23,;22.67,-16.69,;21.33,-15.93,;20,-16.7,;20,-18.24,;18.66,-15.93,;18.66,-14.39,;17.31,-13.61,;17.31,-12.07,;15.98,-14.4,;14.65,-13.63,;13.32,-14.4,;11.99,-13.63,;13.32,-15.95,;14.65,-16.72,;14.65,-18.27,;15.9,-19.17,;17.36,-18.7,;15.42,-20.64,;13.88,-20.64,;12.98,-21.89,;13.41,-19.17,;11.94,-18.7,;15.99,-15.94,;17.33,-16.71,;23.99,-15.92,;25.32,-16.68,)|
COC1(CCOCC1)c1ccc(NC(=O)C2CCc3cc(F)cc(-c4c(C)nn(C)c4C)c3O2)cn1 |(8.7,-32.23,;7.37,-33.01,;7.39,-34.56,;7.39,-36.1,;8.72,-36.86,;10.06,-36.09,;10.05,-34.55,;8.71,-33.78,;6.06,-33.8,;4.72,-34.57,;3.39,-33.8,;3.39,-32.26,;2.06,-31.5,;.73,-32.27,;.73,-33.81,;-.61,-31.5,;-.62,-29.96,;-1.96,-29.19,;-3.29,-29.97,;-4.62,-29.2,;-5.95,-29.98,;-7.29,-29.21,;-5.95,-31.52,;-4.62,-32.29,;-4.62,-33.84,;-3.38,-34.74,;-1.91,-34.27,;-3.85,-36.21,;-5.39,-36.21,;-6.3,-37.46,;-5.87,-34.75,;-7.33,-34.27,;-3.28,-31.52,;-1.94,-32.28,;4.71,-31.49,;6.05,-32.25,)|
N[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r|
CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccccc1
CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
O=S(=O)(c1n[nH]c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
CC(C)n1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
CC(C)Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
O=S(=O)(c1nn(Cc2ccccc2)c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r|
O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1cccc2ccccc12
Clc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1ccc2ccccc2c1
NCCC(=O)Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
O=C(Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)|
COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)|
Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
COc1ccc(NC(=O)c2ccc3N(CC(=O)N(C)c3c2)c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1
NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3csc4cc(F)ccc34)OCCc2c1 |c:13|
C[C@H]1CC(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1c[nH]c2cc(F)ccc12
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3coc4cc(F)ccc34)OCCc2c1 |c:13|
COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(ccc45)C(N)=O)CC3)c2c1 |t:9|
Cn1nc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4|
NC(=O)c1ccc2C(CCN3CCC(C3)c3c[nH]c4cc(F)ccc34)OCCc2c1
NC(=O)c1ccc2C(CCN3CCN(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
NC(=O)c1ccc2C(CCN3CCC(CC3)c3nsc4cc(F)ccc34)OCCc2c1
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(CC3)c3cccc4ccccc34)OCCc2c1
Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(Cl)c(Cl)ccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(Cl)ccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3[nH]nc4cc(F)ccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccc(F)cc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3ccc4cc(F)ccc4c3)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13|
CCN(C)C1CCCc2ccncc12
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
NCCc1c[nH]c2cccc(O)c12
Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1
NCCc1c[nH]c2cc(O)ccc12
CNCCc1c[nH]c2ccc(O)cc12
CN(C)CCc1c[nH]c2c1cc(cc2)O
CN(C)CCCOc1ccccc1
CN(C)CCCCc1ccccc1
CN(C)CCCOc1cccc2ccccc12
CCCCN(CC)CCOc1cccc2ccccc12
CCCCN(CCCC)CCOc1cccc2ccccc12
CN(C)CCCOc1ccccc1O
CN(C)CCOc1cccc2ccccc12
CCCN(CCC)CC(O)COc1cccc2ccccc12
CN(C)CCCNc1ccccc1
CCCN(CCC)CCCOc1ccccc1
CCCN(CCC)CCCOc1cccc2ccccc12
COc1ccccc1OCCCN(C)C
CCCCN(CCCC)CCCOc1cccc2ccccc12
CCCN(C)CCOc1cccc2ccccc12
CN(C)CCCCOc1cccc2ccccc12
CNCCCOc1ccccc1
Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(CC1)c1nsc2ccccc12
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Cn1c(CN2CCN(CC2)c2cccc(Cl)c2)ccc1CN1CCCCC1=O
CCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
[H][C@@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCCN1C(=O)CC3(CCCC3)CC1=O)C2 |r|
[H][C@@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCC)C2 |r|
[H][C@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCCN1C(=O)CC3(CCCC3)CC1=O)C2 |r|
[H][C@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCCCN1C(=O)CC3(CCCC3)CC1=O)C2 |r|
[H][C@@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCCCN1C(=O)CC3(CCCC3)CC1=O)C2 |r|
[H][C@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCC)C2 |r|
COc1cccc2CC3CN(CCNC(=O)c4ccc(F)cc4)CCC3c12
COc1cccc2CC3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
COc1cccc2CC3CN(CCCCN4C(=O)C5C(C6C=CC5C5C=CC65)C4=O)CCC3c12 |c:21,26,(-.49,-9.82,;.85,-9.05,;.84,-7.51,;-.49,-6.74,;-.49,-5.2,;.84,-4.42,;2.18,-5.19,;3.64,-4.7,;4.56,-5.95,;6.08,-6.1,;6.71,-7.5,;8.25,-7.66,;8.88,-9.06,;10.41,-9.23,;11.04,-10.63,;12.57,-10.78,;13.83,-9.88,;13.83,-8.34,;15.06,-10.79,;14.57,-12.25,;15.59,-13.39,;16.79,-12.34,;15.46,-11.57,;16.56,-10.49,;17.57,-11.63,;19.03,-12.12,;18.54,-13.57,;17.09,-13.08,;13.03,-12.25,;12.14,-13.5,;5.81,-8.75,;4.28,-8.6,;3.65,-7.2,;2.18,-6.73,)|
COc1cccc2CC3CN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1
CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1
CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1
CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1
CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1
CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1
CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1
CCCN(CCNC(C)=O)C1COc2cccc(OC)c2C1
CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
CCCN(CCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
COc1cccc2OCC(Cc12)N1CCCC1
CCCN(CCCCN1CCOCC1)C1COc2cccc(OC)c2C1
CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
CCCN(CCCCn1c2ncccc2oc1=O)C1COc2cccc(OC)c2C1
CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
CCC[N+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
COc1cccc2OCC(Cc12)NCCCCN1C(=O)c2ccccc2C1=O
CCCN(CCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1
CCCN(CCC)C1COc2ccccc2C1
CCCN(CCC)C1COc2ccc3ccccc3c2C1
CCCN(CCC)C1COc2cccc(O)c2C1
COc1cccc2OCC(Cc12)NCCCCN1C(=O)CC2(CCCC2)CC1=O
CCCN(CCCCN1CCCCC1)C1COc2cccc(OC)c2C1
CCCN(CCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
O.CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
CCCN(Cc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1
CCCN(CC=C)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCNC1CCc2ccc3[nH]ccc3c2C1
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CN(C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
CN(C)[C@H]1CCc2ccc3[nH]ccc3c2C1
CCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]ccc3c2C1
CCCN(CCCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
C(CNCC1CCc2ccc3[nH]ccc3c2C1)Cc1ccccc1
CCCN(CC1CC1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1
CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(C)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]ccc3c2C1 |r|
CN(C)C1CCc2ccc3[nH]ccc3c2C1
CCCN(CCc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1
CN(C)[C@@H]1CCc2ccc3[nH]ccc3c2C1
CCCN(CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]ccc3c2C1
C1CN(CCN1)c1nc2ccccc2c2c3ccccc3oc12
C1CN(CCN1)c1nc2ccccc2c-2c1CCOc1ccccc-21
CN(C)CCSc1nc2ccccc2c-2c1CCOc1ccccc-21
Fc1ccc2c(c1)nc(N1CCNCC1)c1cccn21
CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
CN1CCN(CC1)c1nc2ccccc2n2cccc12
Fc1cccc2nc(N3CCNCC3)c3cccn3c12
CNCCOc1cccc(C)c1C
CC(C)NCCCOc1cccc2[nH]ccc12
CCNCCOc1cccc2ccccc12
OCCNCCOc1cccc2ccccc12
CC(C)NCCCOc1cccc2ccccc12
CC(C)NCCOc1cccc2ccccc12
CCCN(C)CCOc1ccccc1C1CCCC1
NCCCOc1cccc2ccccc12
NCCOc1cccc2ccccc12
CN(CCOc1cccc2ccccc12)Cc1ccccc1
CC(C)NCCOc1cccc2[nH]ccc12
CCCN(C)CCCOc1ccccc1C1CCCC1
CCCNCCOc1cccc2ccccc12
CNCCOc1ccccc1
CNCCOc1cccc2ccccc12
C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@@H]1CNCCO1 |r,t:7|
N#CC1=Cc2cccc(OCC3CNCCO3)c2OC1 |t:2|
N#CC1=Cc2cccc(OCC3CNCCO3)c2CC1 |t:2|
CN1CCOC(COc2cccc3C=C(COc23)C#N)C1 |c:13|
C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1 |r,t:7|
O=C(N1CCOCC1)C1=Cc2cccc(OCC3CNCCO3)c2OC1 |t:9|
N#CC1=Cc2cccc(OCC3CCCNC3)c2OC1 |t:2|
C(Oc1cccc2C=C(CN3CCOCC3)COc12)C1CNCCO1 |t:7|
CN1CCN(CC1)c1ccc2Cc3ccccc3-c2n1
CN1CCN(CC1)c1nc2ccccc2c2C3CCC(C3)Cc12
CN1CCN(CC1)c1nc2ccccc2c2CCCCc12
CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1COC(=O)c1ccccc1
CN1CCN(CC1)c1cc2-c3ccccc3-c3cccc(n1)c23
CN1CCN(CC1)c1nc2ccccc2c2-c3ccsc3CCc12
Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
CC(N)Cc1c[nH]c2ccc3OCCCc3c12
C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
CCn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1ccnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CCn1ncc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1cncnc1
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCC#N)CC2)c2cc(ccc12)-c1ncccn1
Cn1nncc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1ncc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cc(cn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1nnnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1ccc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1ncnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCC#N)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1cccnc1
Cn1nccc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1ncccn1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1c[nH]nn1
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
CN1CCC(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3ccc(cc23)-c2ncn(C)n2)C1=O
C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Clc1ccccc1S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12
CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
C[C@@H]1CN(CCN1CCC1OCCc2c(Cl)c(sc12)C(N)=O)c1cccc2cc(F)ccc12
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
CCC(CC(=O)c1ccc(C)cc1)N1CCCC1
CCCC(N1CCCC1)C(=O)c1ccc(OC)cc1
CCCC(N1CCCC1)C(=O)c1ccc(O)cc1
CCCC(N1CCCC1)C(=O)c1ccc2ccccc2c1
CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)[N+]([O-])=O
CCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1cccs1
CCCC(N1CCCC1)C(=O)c1ccc(Br)cc1
CCCC(N1CCCC1)C(=O)c1ccccc1C
CCC[C@H](N1CCCC1)C(=O)c1ccc(C)cc1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(F)(F)F
CCCC(N1CCCC1)C(=O)c1cccc(C)c1
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
CCCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC
CCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC
CCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC
CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCC#C)cc1
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21
CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1
Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1 |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|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl
COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
CN(C)CCO\N=C1\c2cccn2-c2c(C)csc12
C(CC1CCc2ccccc12)CN1CCN(CC1)c1cccc2OCCOc12
C(C1Cc2ccccc12)N1CCN(CC1)c1cccc2ccoc12
C(CC1Cc2ccccc12)CN1CCN(CC1)c1cccc2OCCCOc12
C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCCc2ccccc12
COc1ccc2CC(CCN3CCN(CC3)c3cccc4OCCOc34)c2c1
Clc1cccc2C(CCN3CCN(CC3)c3cccc4OCCOc34)Cc12
C(C1CCc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
C(CC1=CCc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 |t:2|
C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCCCc2ccccc12
Fc1cccc2C(CN3CCN(CC3)c3cccc4OCCOc34)Cc12
C(C1Cc2ccccc2C1)N1CCN(CC1)c1cccc2OCCOc12
C(CC1Cc2ccccc12)CN1CCN(CC1)c1cccc2OCCOc12
COc1cc2CC(CCN3CCN(CC3)c3cccc4OCCOc34)c2cc1OC
C(CN1CCN(CC1)c1cccc2OCCCOc12)C1Cc2ccccc12
C(CC1=Cc2ccccc2C1)N1CCN(CC1)c1cccc2OCCOc12 |t:2|
C(CN1CCN(CC1)c1cccc2ccoc12)C1Cc2ccccc12
C(CC1Cc2ccccc2C1)CN1CCN(CC1)c1cccc2OCCOc12
C(CCN1CCN(CC1)c1cccc2OCCOc12)CC1Cc2ccccc12
Clc1cccc2C(CCCN3CCN(CC3)c3cccc4OCCOc34)Cc12
C(C1Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
C(CC1Cc2ccccc12)CN1CCN(CC1)c1cccc2ccoc12
COc1cc2CCC(CCN3CCN(CC3)c3cccc4OCCOc34)c2cc1OC
C(CN1CCN(CC1)c1cccc2OCCOc12)C1Cc2ccccc2C1
COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1
C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCCOc12
C(CC1=CCCCc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 |t:2|
Clc1cccc2C(CN3CCN(CC3)c3cccc4OCCOc34)Cc12
C(CC1=CCCc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 |t:2|
CCCN1CCN(CC1)c1nc2ccsc2n2cccc12
Fc1ccc(cc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
C(C1CC1)N1CCN(CC1)c1nc2ccsc2n2cccc12
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1
Clc1ccc(cc1)C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12
C1CN(CCO1)c1nc2ccsc2n2cccc12
C(N1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1)c1ccccc1
C1CCN(CC1)c1nc2ccsc2n2cccc12
C1CN(CCN1)c1nc2cc(sc2n2cccc12)-c1ccccc1
Fc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)cc1
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1
C(N1CCN(CC1)c1nc2sccc2n2cccc12)c1ccccc1
Fc1ccc(CN2CCN(Cc3nc4ccsc4n4cccc34)CC2)cc1
CCOC(=O)CN1CCN(CC1)c1nc2ccsc2n2cccc12
C1CN(CCN1)c1nc2ccsc2n2cccc12
Clc1ccc(cc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
C(N1CCN(CC1)c1nc2sccc2n2cccc12)c1ccc2OCOc2c1
Fc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)cc1
CN1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1
C=CCN1CCN(CC1)c1nc2ccsc2n2cccc12
Clc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)cc1Cl
C(N1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1)c1ccccc1
CN1CCN(CC1)c1nc2ccsc2n2cccc12
C=CCN1CCN(CC1)c1nc2sccc2n2cccc12
C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccc2OCOc2c1
C(N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12)c1ccccc1
C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
C(\C=C\c1ccccc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
CN1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1
Fc1ccc(cc1)C(=O)N1CCN(CC1)c1nc2ccsc2n2cccc12
Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)cc1Cl
C1CN(CCC1c1ccccc1)c1nc2ccsc2n2cccc12
O=C(CN1CCN(CC1)c1nc2ccsc2n2cccc12)N1CCCC1
FC(F)(F)c1ccccc1CCN1CCN(CC1)c1nc2ccsc2n2cccc12
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2sccc2n2cccc12
C[N+]1(Cc2ccccc2)CCN(CC1)c1nc2ccsc2n2cccc12
Clc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)c(Cl)c1
Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)c(Cl)c1
Cc1sc2c(nc(N3CCN(Cc4ccccc4)CC3)c3cccn23)c1C
C(Oc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1)c1ccccc1
C(N1CCN(CC1)c1nc2ccc3ncccc3c2n2cccc12)c1ccccc1
CN1CCN(CC1)c1nc2cccnc2n2cccc12
C(N1CCN(CC1)c1nc2cccnc2n2cccc12)c1ccccc1
Clc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2c1
COc1ccc2c(c1)nc(N1CCN(CCCCn3cccn3)CC1)c1cccn21
Cc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn21
COc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn21
C(N1CCN(CC1)c1nc2ccc3ncccc3c2n2cccc12)c1ccc2OCOc2c1
C=CCN1CCN(CC1)c1nc2cccnc2n2cccc12
Cc1ccnc2c1nc(N1CCN(Cc3ccccc3)CC1)c1cccn21
Clc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn21
C(N1CCN(CC1)c1nc2cccnc2n2cccc12)c1ccc2OCOc2c1
C(N1CCN(CC1)c1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1)c1ccccc1
CCOC(=O)N1CCN(CC1)c1nc2cccnc2n2cccc12
Cc1ccnc2c1nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn21
COc1ccc2nc(N3CCN(Cc4ccc(F)cc4)CC3)c3cccn3c2n1
Fc1ccc(CN2CCN(CC2)c2nc3cccnc3n3cccc23)cc1
Fc1ccc(CN2CCN(CC2)c2nc3cc(Cl)ccc3n3cccc23)cc1
Clc1ccc(CN2CCN(CC2)c2nc3cccnc3n3cccc23)c(Cl)c1
Clc1ccc2c(c1)nc(N1CCN(Cc3ccc4OCOc4c3)CC1)c1cccn21
COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1
Fc1ccc(CN2CCN(CC2)c2nc3ccccc3n3cccc23)cc1
C1CN(CCN1)c1nc2cccnc2n2cccc12
C=CCN1CCN(CC1)c1nc2ccc3ncccc3c2n2cccc12
Fc1ccc(CN2CCN(Cc3nc4ccccc4n4cccc34)CC2)cc1
C(N1CCN(CC1)c1ncccc1-n1cccc1)c1ccccc1
C(N1CCN(CC1)c1nc2ccccc2n2cccc12)c1ccccc1
C1CN(CCN1c1ccccc1)c1nc2cccnc2n2cccc12
CN(C)CCOc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc2CCOc12
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1NCCN(C)C
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1CCCN(C)C
COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(C)CC1
CN(C)CCN1CCOc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)cc12
CN1CCN(CC1)c1cc(NC(=O)c2ccc(Br)c(C)c2)ccc1C
CN1CCN(CC1)c1cccc(NC(=O)c2ccc(Br)c(C)c2)c1
COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)c2cc1OCCN(C)C
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCNCC4)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(nc4)C(F)(F)F)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cccc5ncccc45)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4C[C@H](C)N[C@H](C)C4)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(CC4)C(C)C)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4oc(C)nc4C)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(C)c4C(F)(F)F)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4Cl)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cc(C)oc4C(F)(F)F)c3cc12
CCN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4CC)-c4ccc(cc4)C#N)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4C(F)(F)F)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@H]5C4)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12
CN(C(C)=O)c1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1
CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
COc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
CC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1
COc1ccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1NS(C)(=O)=O
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
CN(c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1)S(C)(=O)=O
Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
CN(C)CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CC(C)S(=O)(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CCNC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4=O)CC3)cccc2n1
CC(C)C(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1
Cc1ccc2c(cccc2n1)N1CCN(CCCCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
CC(CN1CCC(Cc2ccc3OCC(=O)Nc3c2)CC1)Oc1cccc2nc(C)ccc12
CC(COc1cccc2nc(C)ccc12)N1CCC(Cc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(OCCCN3CC(C3)Oc3ccc4OCC(=O)Nc4c3)cccc2n1
Cc1ccc2c(OC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OC3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1
Cc1ccc2c(cccc2n1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(OCC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(cccc2n1)N1CCN(CCCc2ccc3OCC(=O)Nc3c2)CC1
Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
CC1(C)Cc2cccc(N3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)c2O1
Cc1cc2c(cccc2[nH]1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ncc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
O=C1COc2ccc(CCN3CCN(CC3)c3cccc4cccnc34)cc2N1
O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
O=C1COc2ccc(CCN3CCN(CC3)c3cccc4nc(ccc34)-c3ccccc3)cc2N1
Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
CC1CN(CCc2ccc3OCC(=O)Nc3c2)CCN1c1cccc2nc(C)ccc12
C[C@@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2F)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cc3NC(=O)COc3cc2F)CC1
CCN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Cc1cc(N2CCN(CCc3ccc4OCC(=O)Nc4c3)CC2)c2ccc(C)nc2c1
Cc1ccc2c(ccc(Cl)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(cccc2n1)N1C[C@H]2C[C@@H]1CN2CCc1ccc2OCC(=O)Nc2c1 |r|
C[C@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCc2cc(F)c3OCC(=O)Nc3c2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1
CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3NC(=O)COc3c2)CC1
CCN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
CC(C)N1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC(F)F)C(=O)COc23)CC1
C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
CN1C(=O)COc2c(CCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
CN1C(=O)COc2c(CCCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)ccc12
CN1C(=O)COc2c(CCCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCCc2cccc3NC(=O)COc23)CC1
C[C@H]1CN(C[C@@H](C)N1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
C[C@@H]1CN(CCN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
C[C@H]1CN(CCN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
C[C@@H]1CN([C@@H](C)CN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
CN1CCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CN1CCN(CC1=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CN1CCN(C(=O)C1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCCC4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCOCC4)CC3)cccc2n1
C[C@H]1CN(C[C@@H](C)O1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
CN1CCCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4)CC3)cccc2n1
CN1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)C4CCNCC4)CC3)cccc2n1
CC(=O)N1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)C4CCN(CC4)S(C)(=O)=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccncc4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4cccnc4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccccc4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccoc4)CC3)cccc2n1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)CCc23)CC1
CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3[nH]c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(F)ccc3n(C)c(=O)ccc23)CC1
Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
C[C@@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
C[C@@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)C(C)(C)C1
Cc1ccc2c(cccc2n1)C1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3NC(=O)CCc23)CC1
CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)c(C)ccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3[nH]c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(Cl)ccc3n(C)c(=O)ccc23)CC1
CCCN1CCN(CCC)C2(COc3cccc(OC)c3C2)C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2cccc(OC)c2C1
CCCN1CCN(Cc2ccccc2)CC11COc2cccc(OC)c2C1
COc1cccc2OCC(CNCCCCN3C(=O)CC4(CCCC4)CC3=O)Cc12
O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2C1
CCCN(CCC)CC1(COc2cccc(OC)c2C1)N(CCC)CCC
CCCN(CCC)CC1COc2cccc(OC)c2C1
CCCN1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC11COc2cccc(OC)c2C1
O=C1CC2(CCCC2)CC(=O)N1CCCCNC[C@@H]1COc2ccccc2O1
O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccc3ccccc3c2O1
CSc1ccc2Sc3ccccc3C[C@@H](N3CCN(C)CC3)c2c1
O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2c(O1)ccc1ccccc21
CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12
O=C1CC2(CCCC2)CC(=O)N1CCCCNC[C@H]1COc2ccccc2O1
CN1CCN(CC1)[C@H]2Cc3ccccc3Sc4c2cc(cc4)SC
CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cncnc1
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
CCCOc1c(OC)cc2C(CN(C)C3Cc4cc5OCOc5cc4-c1c23)c1ccccc1
COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OCC1CC1)c23)c1ccccc1
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23
COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23)c1ccccc1
CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
C=CCN(CCc1c[nH]c2ccccc12)CC=C
Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
CC1(C)NC(Nc2cccc(Br)c2)=NC(N)=N1 |c:13,16|
CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
CCOC(=O)c1cccc(NC2=NC(=NC3(CCCCC3)N2)N(C)C)c1 |c:13,t:11|
NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1|
CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
CCCN(CCCCNC(=O)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34)C1COc2cccc(OC)c2C1
CCCN(CCCCNc1ccc([N+]([O-])=O)c2nonc12)C1COc2cccc(OC)c2C1
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1
Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1
CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
CS(=O)(=O)Oc1ccc2CN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)Cc2c1 |wU:16.19,wD:13.12,(-.65,-16.53,;-.63,-15,;-2.01,-14.31,;-.33,-13.47,;.91,-14.92,;2.24,-14.15,;2.24,-12.6,;3.57,-11.83,;4.9,-12.58,;6.37,-12.09,;7.29,-13.35,;8.62,-12.58,;9.96,-13.35,;11.29,-12.56,;12.62,-13.33,;13.94,-12.56,;13.94,-11.02,;12.62,-10.25,;11.29,-11.02,;15.28,-10.27,;16.61,-11.04,;16.61,-12.58,;17.94,-10.27,;19.27,-11.04,;20.6,-10.27,;21.93,-11.04,;23.27,-10.27,;23.27,-8.73,;24.36,-7.64,;21.93,-7.96,;20.6,-8.73,;6.39,-14.61,;4.91,-14.14,;3.58,-14.92,)|
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
[H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
C[C@H](N)Cc1c[nH]c2cccc(O)c12 |r|
COc1ccc2[nH]cc(C[C@H](C)N)c2c1 |r|
COc1ccc2c(C[C@H](C)N)c[nH]c2c1 |r|
COc1ccc2[nH]cc(C[C@@H](C)N)c2c1 |r|
C[C@@H](N)Cc1c[nH]c2cccc(O)c12 |r|
C[C@H](N)Cc1c[nH]c2ccc(O)cc12
COc1ccc2c(C[C@@H](C)N)c[nH]c2c1 |r|
C[C@@H](N)Cc1c[nH]c2ccc(O)cc12 |r|
C[C@H](N)Cc1c[nH]c2ccccc12 |r|
COc1cccc2[nH]cc(C[C@H](C)N)c12 |r|
COc1cccc2[nH]cc(C[C@@H](C)N)c12 |r|
C[C@H](Cc1c[nH]c2c1cccc2)N