318 SMILES Strings for Ephrin type-A receptor 4

Compound Name
SMILES String
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1cc(C)c2nc(N3CCCN(CC3)C(=O)c3ccco3)c(cc2c1)C#N
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
Fc1ccc(cc1)-c1cc2nc3CCCCc3c(N3CCOCC3)n2n1
COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1F)c1nnnn1Cc1cccs1
CCN(CC)CCCN(Cc1cc2cc3OCCOc3cc2[nH]c1=O)C(=O)Nc1ccccc1
CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc(C)on1
COc1ccc(cc1F)C(=O)CN1CCOCC1
COC(=O)CSc1nc(cc(-c2ccco2)c1C#N)-c1ccccc1
CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
[H]C12CCN(CC1(OC(C)=O)c1ccc(C)cc1)c1ccccc21
CCSc1nnc(NC(=O)C(C(F)(F)F)C(F)(F)F)s1
CC(C)C1Cc2c(CO1)c(=S)sc(N)c2C#N
Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1
CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1
CCC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
CC1CCCN(C1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1
CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
CCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
CSc1nc(NCCOCCO)c2sc3nc(c4CCCc4c3c2n1)-c1ccco1
CCn1nc(-c2ccccc2)c2nc3ccccc3nc12
Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C
Cc1nn(c2N=C3C=CC(=CN3C(c12)c1cccnc1)S(=O)(=O)N1CCCCC1)-c1ccccc1 |c:7,9,t:5|
COc1cc(C=c2s\c(=C(\C#N)c3nc4ccccc4n3C)n(CC=C)c2=O)cc(OC)c1OC
CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
Cc1ccc(CNC(=O)CN2CCC(CC2)C(N)=O)cc1
O=S(=O)(N1CCOCC1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
O=C(N1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O
COC(=O)Sc1nnc(o1)-c1ccc(Br)cc1
CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1CCOC
Cc1ccccc1C(=O)c1cccn1CC(=O)NCC1CCCO1
Cc1cc2ccccc2n1CCNC(=O)c1ccccc1
CCN(CCCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1cccc(C)c1
Cc1cc(C)n(CNc2nc(cs2)C(F)(F)F)n1
CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
Cc1nc(C)c(o1)C(=O)Nc1nc2c(C)cccc2s1
CCN(CCNC(=O)C1CCCN(C1)S(=O)(=O)CC)c1ccccc1
COc1ccccc1N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(SC)cc1 |c:12|
COc1ccc(cc1)N1Cc2cccc(C(O)=O)c2C1=O
Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCC3)ccc2n1C
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|
CCCSC1=N\C(=C/C=C/c2ccco2)C(=O)S1 |t:4|
Cc1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C
O=C1CCCC2=C1C(Nc1ccc3ccccc3c21)c1ccco1 |c:5|
CSc1ccccc1N=Cc1nc(oc1O)-c1ccccc1 |w:8.8|
OC(=O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1
CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6|
Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O
CCOC(=O)c1cc(OC(=O)c2ccccc2OC)n(n1)-c1ccccc1
CCn1c(SCc2nc(no2)-c2ccccc2)nnc1-c1cccs1
CCOC(=O)c1c(NC(C)=O)sc2c1CCC(C=O)=C2Sc1ccccc1 |c:19|
CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl
CCCCOP(=O)(OCCCC)C(C#N)C(C)=O
Cc1ccc(Cl)cc1-n1c([CH2-])nc([CH+]c2ccc(cc2)[N+]([O-])=O)c1O |w:13.14,(3.12,-4.47,;4.46,-5.24,;4.46,-6.78,;5.79,-7.55,;7.12,-6.78,;8.46,-7.55,;7.12,-5.24,;5.79,-4.47,;5.79,-2.93,;4.54,-2.03,;3.08,-2.51,;5.02,-.56,;6.56,-.56,;7.47,.68,;6.84,2.09,;7.74,3.33,;7.12,4.74,;5.59,4.9,;4.68,3.66,;5.31,2.25,;4.96,6.31,;5.87,7.55,;3.43,6.47,;7.04,-2.03,;8.5,-2.51,)|
COc1ccc(cc1)N(C(=O)c1ccco1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
CCN(CC)C(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccc(Cl)cc1
O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Cc1ccc(cc1)C1=N\C(=C/c2cccs2)C(=O)N1Nc1ccccc1 |t:8|
Cc1ccc(cc1)S(=O)(=O)C(=C\c1c(nc2ccccn2c1=O)N1CCOCC1)\C#N
CCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
COc1ccc(NC2=Nc3ccccc3N3C(c4c(C)nn(c4N=C23)-c2ccc(C)cc2)c2cccnc2)cc1 |t:7,25|
CC(=O)Nc1ccc(NC2=Nc3ccccc3N3C(c4c(C)nn(c4N=C23)-c2ccccc2)c2ccccc2)cc1 |t:9,27|
CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
CCN(CCO)c1nc(SC)nc2c1sc1nc(-c3ccco3)c3CCCc3c21
CSc1nc(SCCO)c2sc3nc(-c4ccco4)c4COC(C)(C)Cc4c3c2n1
CCOP(=O)(OCC)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc12 |t:20|
Brc1ccc(cc1)-c1nnc(o1)-c1cccc(Br)c1
CCn1c2ccc(Cl)cc2c2nc3ccccc3nc12
CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)OCC
CC(C)C(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
CCC(C)N1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
CCCOc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
CC1Cc2ccccc2N1Cc1nc2cc(ccc2c(=O)[nH]1)C(F)(F)F
CCc1cccc2c(c[nH]c12)C(=O)CSc1nnc(-c2ccoc2C)n1C
CCOc1ccc(\C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(N)[nH]4)sc3C(C)(C)C2)cc1 |t:9|
COc1cc(C=C2SC(=S)N(Nc3ncc(cc3Cl)C(F)(F)F)C2=O)cc(OC)c1OC |w:5.4|
CCOC(=O)c1c(C)oc2c1c(C(N1CCOCC1)c1cccnc1)c(O)c1ccccc21
CCN1C(=O)C(C=NN=Cc2ccccc2)c2ccc(cc12)C1=NNC(=O)CC1 |w:7.7,9.9,t:25|
Oc1ccc(cc1O)-c1cn2CCSc2n1
Cc1ccsc1\C=C\C1=Cc2c(C#N)c(NC(=O)CSc3nnc(N)[nH]3)sc2C(C)(C)C1 |t:9|
COc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12
Oc1c(cc(Br)ccc1=O)C(=O)\C=C\c1ccccc1
CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc3OCOc3c2)c1=O
CCCN1C(=S)S\C(=C/C=C2\N(CC)c3ccccc3C2(C)C)C1=O
[O-][N+](=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccco1 |c:11|
COc1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)cc(OC)c1OC
CCSc1nnc(o1)-c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N
CC1=C(C#N)C(=O)NC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCC=C |c:1|
Fc1ccc(cc1)N1C(=S)S\C(=C\c2nc3ccccc3[nH]2)C1=O
[O-][N+](=O)c1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)Nc2cccc3ccccc23)cc1
COc1ccc(cc1)-n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12
Cc1ccc(C)c(OCc2nnc(N)s2)c1
Cn1c2nc3N(Cc4ccccc4)CCn3c2c(=O)[nH]c1=O
CCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(=O)NC(=O)C(C#N)=C2C)o1 |c:26|
CCCCN1C(=S)S\C(=C/C=C2\N(C)c3ccccc3C2(C)C)C1=O
[O-][N+](=O)\C=C\c1cn(Cc2ccccc2)c2ccccc12
Cn1cc(c(n1)C(=O)Nc1ccc2OCCOc2c1)[N+]([O-])=O
Clc1ccccc1-c1ccc(\C=C2\SC(=S)N(CC3CCCO3)C2=O)o1
COc1cccc(c1)C1(CSc2nnc(o2)-c2cc(OC)c(OC)c(OC)c2)OCCO1
COc1ccc2sc3ccccc3c(=O)c2c1OC
CC(CC(=O)c1ccccc1)N=Nc1nc2ccccc2s1 |w:12.13|
O=C1N(Cc2ccccc2)C(=S)S\C1=C\c1ccco1
CCN1\C(Sc2ccccc12)=C\c1ccc2cccc(C)c2[n+]1CC
CN(C)c1ccc(\C=C\C=C2\SC(=S)N(C2=O)c2ccccc2)cc1
[#6]-c1ccc2cc(\[#6]=[#6](\C#N)C#N)c(nc2c1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1
CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Nc1c(sc2nc(cc(-c3ccccc3)c12)-c1cccs1)C#N
OC(=O)c1ccccc1C(=O)NNc1ccc(F)cc1
Cc1c(NC(=S)NN=Cc2cccc(O)c2)c(=O)n(-c2ccccc2)n1C |w:7.6|
COc1cc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc(OC)c1OC
FC(F)(F)c1nnc2c(Sc3ccccn3)nc3ccccc3n12
Cc1ccc(C)c(c1)N(CC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
CN(C)c1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1
Cc1ccc2cc(\C=C3/N=C(OC3=O)c3ccccc3)c(nc2c1)N1CCOCC1 |c:9|
c1c(nc2nc(-c3ccccc3)c(nn12)-c1ccccc1)-c1ccccc1
FC(F)(F)c1ccc(Cl)c(Cc2cnc(NC(=O)CSc3nnc(-c4ccncc4)n3CC=C)s2)c1
CCSC1=N\C(=C/c2ccc(o2)-c2ccccc2[N+]([O-])=O)C(=O)S1 |t:3|
COc1ccc(C=c2sc3nc(c(-c4ccccc4)n3c2=O)-c2ccccc2)cc1OC
Oc1c(ccc2ccccc12)N=Nc1ccccn1 |w:11.12|
[O-][N+](=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
COc1ccc2oc(\C=C\N(C)C)c(C(=O)c3ccc(Cl)cc3)c2c1
Cc1cccc2cc(\C=C3/N=C(OC3=O)c3ccccc3)c(nc12)N1CCOCC1 |c:10|
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1cccc2CCCCc12
CCOC(=O)C1=C(N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1)c1ccccc1 |t:5,7|
[#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2cc(-[#6])n(-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c2-[#6])-[#6]-1=O
O=C(CCN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O)Nc1nccs1
CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2CN(CCc3ccccc3)CCc12
CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
NCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r|
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CCN |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCC(=O)N1 |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CCN |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(C)=O |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(C)=O |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1 |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN |r|
CNCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CCN |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1 |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)O |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N |r|
CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCN |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCC)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
NCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
N[C@@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
N[C@H]1CCC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
N[C@@H]1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
N[C@H]1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
COc1ccc2[nH]cc(C[C@H](NC(=O)CCCN)C(=O)N[C@@H](Cc3ccc(cc3)-c3ccccc3)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O)c2c1 |r|
COc1ccc2c(C[C@H](NC(=O)CCCN)C(=O)N[C@@H](Cc3ccc(cc3)-c3ccccc3)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O)c[nH]c2c1 |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O |r|
Cc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)CCCN)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O)cc1 |r|
Cc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)CCCN)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O)cc1 |r|
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)CCCN)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O)cc1 |r|
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)CCCN)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O)cc1 |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(NC(N)=N)cc1)C(N)=O |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(N)=O |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(N)=O |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)Nc1ncccc1O |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)Nc1ccccc1 |r|
COc1cc(CNC(=O)CNC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)CCCN)cc(OC)c1 |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)NCc1ccccc1O |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)Nc1ccccc1O |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)Nc1ccc(cc1)N1CCOCC1 |r|
NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)Nc1ccc(CN2CCOCC2)cc1 |r|
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)[C@H]2CCC[C@H](N)C2)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 |r|
N[C@H]1CCC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)Nc1ccc(CN2CCOCC2)cc1 |r|
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)[C@H]2CCC[C@H](N)C2)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)Nc2ccc(cc2)N2CCOCC2)cc1 |r|
N[C@H]1CCC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)Nc1ccc(cc1)N1CCOCC1 |r|
CC(C)[C@H]1NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)CCN |r|
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CNc1ncc2cc(-c3cc(F)ccc3F)c(=O)n(CCCCN)c2n1
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F
O=S1(=O)NCCCNc2nc(ncc2-c2ccc(Cl)c(Cl)c2)Nc2cccc1c2
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1Br
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c(F)cc1F
COc1c(F)ccc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c1F
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c(F)cc1Cl
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2OC)N3)ccc1F
COCCOc1ccc2cc1S(=O)(=O)NCCCNc1nc(ncc1-c1ccc(F)c(OC)c1)N2
c1ccc(c(c1)NC(=O)c2cnc3n2cc(cc3)C4CCNCC4)Cl
C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(O)ccc1C |(16.89,-42.99,;16.89,-41.45,;18.23,-40.68,;19.55,-41.45,;20.88,-40.68,;20.88,-39.14,;19.55,-38.38,;18.23,-39.15,;16.9,-38.38,;16.91,-36.84,;15.44,-36.35,;14.53,-37.6,;15.43,-38.85,;14.53,-40.09,;13.06,-39.61,;11.74,-40.37,;11.73,-41.91,;10.41,-39.61,;9.07,-40.38,;10.41,-38.07,;11.74,-37.29,;11.74,-35.75,;13.06,-38.07,;18.24,-36.06,;19.58,-36.83,;20.9,-36.05,;22.24,-36.81,;20.9,-34.51,;19.55,-33.75,;18.23,-34.53,;16.89,-33.77,)|
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Nc1n[nH]c2nc(c3CCCCc3c12)-c1ccccc1Cl
Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F
Cc1ccccc1-c1nc2[nH]nc(N)c2c2CCCCc12
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|