412 SMILES Strings for 5-hydroxytryptamine receptor 1E

Compound Name
SMILES String
CCc1ccc(NC(=O)Cn2c(SC)nc3ccccc23)cc1
O=C(NCc1ccccc1)NC1(CCCCC1)C(=O)N1CCCC1
CN1CCN(CC1)C(N=O)c1nonc1N
Cn1c(SCc2nc3ccccc3c(=O)[nH]2)ncc1-c1ccccc1
Cc1cccc(NC(=O)C2CCCN(C2)C(=O)Nc2ccccc2)c1C
COc1ccc(cc1OC)N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(n1)-c1ccc(C)cc1
CNCCc1c[nH]c2c1cccc2
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|
CN(C)CCc1c[nH]c2c1cc(cc2)OC
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C
CN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12
CCCCc1ccc2[nH]cc(CCN)c2c1
CCN(CC)c1nc(N2CCOCC2)c(C#N)c2CCN(C)Cc12
CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc12
NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1
Clc1ccc(NC(=O)COC(=O)CCC2CCCC2)nc1
O=C(Nc1cccc(c1)-c1cn2ccsc2n1)c1ccccc1
CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1
CN(c1ccc(O)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C
C1CNCC(C1)c1nc2ccccc2s1
CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12|
CSc1nc2ccc(NC(=O)C3CCCO3)cc2s1
CC(CCc1ccccc1)NC(=O)CSc1nc(N)cc(N)n1
CCc1nn(C(C)C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc3occc3n12
Cc1cccc(N2CCN(CC2)C(=O)Cc2c([nH]c3ccc(Cl)cc23)C(O)=O)c1C
CCN1CCC(=CC1)c1c[nH]c2ccccc12 |c:5|
CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)cc(OC)c1
c1cc2c(cc1F)c(c[nH]2)CCN
C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Cc1[nH]c2c(cccc2c1CCN)C(F)(F)F
CCCCN(C)CCCNC(=O)Cn1c2ccccc2sc1=O
Cc1[nH]c2c(Cl)cccc2c1CCN
CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1
CCOC(=O)C1CCN(CC1)C(=O)Cc1c(C(O)=O)n(C)c2ccccc12
CCOC(=O)c1c(C)nc(nc1NC(=O)CC)-c1ccccc1
Cc1[nH]c2ccccc2c1C1=CCNCC1 |t:12|
CCOC(=O)C1CCN(CC1)C(c1c(C)c(C)sc1NC(=O)c1ccco1)c1cccnc1
Cn1cc(C(Cc2ccccc2)N=O)c2ccccc12
CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O
Clc1cccc(c1)S(=O)(=O)N1CCCC1
OC(=O)C1CCCCC1C(=O)NCCc1c[nH]c2ccccc12
CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 |c:10|
C(N1CCN(CC1)c1ccccc1)c1cn2cccnc2n1
COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1
COc1cc(CN2CCN(CC2)c2cccc(C)c2C)cc(OC)c1O
CC1CN(CC(C)O1)c1nnnn1-c1ccccc1
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1
CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
Cc1ccc(cc1)-n1nc2-c3n[o+]n([O-])c3CCc2[n+]1[O-]
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
CCn1c2ccccc2c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c1=O
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1
CCCc1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:9|
COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
CCC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
COc1cccc(c1)N1CCN(CC1C)c1ncnc2c3cc(F)ccc3[nH]c12
COC(=O)C(=C1\Oc2cc(C)oc(=O)c2S1)\C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6]C([#6])([#6])[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
CCOc1cccc(c1)-c1nnc2SCC(=Nn12)c1cc(OC)ccc1OC |c:16|
COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(O)c(O)c1 |c:15|
CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:10|
COc1cc2CCn3c(cc(nc3=O)N3CCCc4ccccc34)-c2cc1OC
Cn1c(nc2ccccc12)-c1c(N)n(C2CCCC2)c2nc3ccccc3nc12 |(8.02,2.68,;9.56,2.68,;10.45,1.44,;11.91,1.91,;11.92,3.44,;13.06,4.47,;12.75,5.98,;11.28,6.46,;10.14,5.43,;10.45,3.92,;9.98,-.02,;10.88,-1.26,;12.42,-1.26,;9.98,-2.5,;10.45,-3.96,;9.55,-5.21,;10.46,-6.46,;11.92,-5.98,;11.92,-4.44,;8.52,-2.03,;7.19,-2.8,;5.85,-2.03,;4.48,-2.85,;3.08,-2.06,;3.08,-.46,;4.48,.33,;5.85,-.49,;7.19,.28,;8.52,-.49,)|
Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
Cc1ccc(s1)S(=O)(=O)Nc1cccc2ncccc12
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccccc1
O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Brc1ccc(o1)C(=O)Nc1ccc(cc1)-c1nc2ncccc2o1
COc1ccc(cc1)-n1c(O)cc(NCc2ccncc2)c1O
Fc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3|
CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N1CCCCC1
COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1
O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1
COc1cc2CCN3C(NS(=O)(=O)c4ccccc4)=CCC(C#N)=C3c2cc1OC |c:19,24|
COc1ccc(cc1)C1N2CCCC2C(=O)N1c1ccc(F)cc1
CCCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
COc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
[H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7|
[#6]-[#16]-c1ccccc1-[#7]\[#6]=[#6]-1\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-1=O
CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23|
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)N1c2ccccc2Sc2ccccc12
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
Fc1ccccc1C(=O)CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1
CCCn1nc2ccccc2c1P(=O)(N1CCOCC1)N1CCOCC1
CSc1ccccc1NC(=O)C1CC(=NO1)c1ccccc1O |c:14|
COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
CC1CCCCN1C(=O)Cn1cc(C(=O)c2ccco2)c2ccccc12
CCc1ccccc1NC1N(Cc2ccco2)C(=O)c2ccccc12
Cc1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)[N+]([O-])=O)cc1
O=C(Nc1ccccc1)C(C1CCCC1)c1ccccc1
O=C(Nc1ccc2ccccc2c1)C(C1CCCC1)c1ccccc1
Cc1ccc(NC(=O)C(C2CCCC2)c2ccccc2)cc1
COc1ccc(cc1)C(CC(=O)c1ccc(C)cc1)Nc1ccc(cc1)[N+]([O-])=O
Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1
FC(F)(F)c1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1
Cc1cc(C(=O)OC(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c(C)o1
FC(F)(F)c1cccc(NC(=O)C(OC(=O)C2CCCCC2)c2ccccc2)c1
CC(C(=O)Nc1ccc(C)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O
Cc1ccc(NC(=O)C(OC(=O)c2ccc(F)cc2)c2ccccc2)cc1Cl
FC(F)Oc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl
Cc1ccc(NC(=O)C(OC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl
CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)C2CC2c2ccccc2)o1
Cc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
CC1C(N(C)C(CC1(O)c1ccc(F)cc1)c1ccccc1)c1ccccc1
Brc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1CC1CCCO1
COc1ccc(CCn2nnnc2C(N2CCN(CC=C)CC2)c2ccc(Cl)cc2)cc1OC
Fc1ccc(NC(=O)c2c(Oc3ccc(Cl)cc3)nccc2C(F)(F)F)c(F)c1
Cc1cccc(Cn2nc(cc2C(=O)Nc2ccc(F)cc2)C(C)(C)C)c1
[O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:10|
c1cc2c(cc1C(=O)N)c(c[nH]2)CCN
Cc1[nH]c2ccc(O)cc2c1CCN
Cn1cc(CCN)c2cc(O)ccc12
NCCc1c[nH]c2ccc(O)cc12
COc1ccc2c(c1)c(c[nH]2)CCN
COc1cc(CC(C)N)c(OC)cc1I
CCCN(CCC)C1CCc2cccc(O)c2C1
CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6|
CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
CCC(=O)c1ccc(N)cc1
CC(C)NCC(O)COc1cccc2[nH]ccc12
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
FC(F)(F)c1cccc(c1)N1CCNCC1
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,)|
COc1cc(CC(C)N)c(OC)cc1Br
CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
C1CN(CCN1)c1cccc2ccccc12
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
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
OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C
CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
CCCCCCOc1c(nsn1)C2=CCCN(C2)C
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|
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,)|
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
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|
C[C@@H](Cc1ccc2c(c1)OCO2)NC
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
CN(C)CCc1c[nH]c2c1c(ccc2)O
COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F
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
c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N
CC(N)Cc1c[nH]c2ccc(O)cc12
COc1ccc2[nH]c(C)c(CCN)c2c1
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CC(=C)CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
C[C@@H]1SC(=N[C@H]1CO)c1ccco1 |r,c:3|
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1N=C(S[C@@H]1C)c1ccccc1O |r,c:16|
C[C@@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(S[C@@H]1C)c1ccccc1O |r,c:16|
Oc1ccccc1C1=NC(Cc2c[nH]cn2)CS1 |t:8|
Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(S1)c1ccccc1 |t:8|
CNc1ccccc1C1=N[C@@H](CO)[C@H](C)S1 |r,t:9|
C[C@@H]1SC(=N[C@H]1CO)c1cc2ccccc2cc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1c[nH]c2ccccc12 |r,c:3|
CCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:14|
CCCCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:16|
C[C@@H]1SC(=N[C@@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|
OC[C@@H]1CSC(=N1)c1ccccc1O |r,c:5|
Oc1ccccc1-c1nc(C=O)cs1
C[C@@H]1SC(=N[C@H]1[C@@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|
C[C@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|
[H][C@]12CCC[C@@]1([H])N=C(S2)c1ccccc1O |r,c:8|
NC(=O)c1csc(n1)-c1ccccc1O
C[C@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1cccs1 |r,c:3|
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]1Cc1c[nH]cn1)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1ccccc1 |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1ccsc1 |r,c:3|
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|
Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
Cc1ccc(cc1)-c1noc2CCNCCc12
Fc1ccc(cc1)-c1noc2CCNCCc12
Clc1ccc(cc1)-c1noc2CCNCCc12
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)C=Cc1ccccc1
O=C(C=Cc1ccccc1)N(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)Cc1cccnc1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
CCCN[C@H]1CCc2c(sc(n2)N)C1
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
Fc1ccc(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
Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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
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
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
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:29,t:10|
Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |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
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:24,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:30,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:25,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:26,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:32,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:28,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:27,t:10|
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
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
COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
C=CCN(CCc1c[nH]c2ccccc12)CC=C
Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
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
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
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)cc1N1CCN2CCCCC2C1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1