199 SMILES Strings for Interferon-induced, double-stranded RNA-activated protein kinase

Compound Name
SMILES String
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
FC(F)(F)c1cc(NC(=O)Nc2ccc3sc(cc3c2)-c2cncc(c2)-c2nn[nH]n2)ccc1Cl
Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nn[nH]n1
Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(F)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3cc(F)cc(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCO)n1
Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)-c1nnn(CCCO)n1
Nc1ncc(cc1C#Cc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1)-c1nnn(CCCO)n1
OCCCn1nnc(n1)-c1cncc(c1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1ncccn1
Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1cnccn1
CS(C)(=O)=NC(=O)c1cnc(N)c(c1)-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1
CS(C)(=O)=NC(=O)c1cnc(N)c(c1)-c1cc2cc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)ccc2s1
CS(C)(=O)=NC(=O)c1cncc(c1)-c1cc2cc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)ccc2s1
CS(C)(=O)=NC(=O)c1cncc(c1)-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1
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
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CNc1ncc2cc(ccc2n1)-c1c(C)ccc(C(=O)Nc2ccc(OC)c(c2)C(F)(F)F)c1N
COc1cc2nccc(Oc3ccc(NC(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
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|
Cc1[nH]c2ccccc2c1-c1ccnc(NCCc2c[nH]c3ccccc23)n1
COc1ccc2[nH]cc(-c3ccnc(NCCN4CCOCC4)n3)c2c1
Fc1ccc(cc1)N1CCN(CC1)c1nccc(n1)-c1c[nH]c2ccccc12
C(Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1)c1cccnc1
COCCCNc1nccc(n1)-c1c(C)[nH]c2ccc(Cl)cc12
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(C)[nH]c3ccc(Cl)cc23)cc1
C(Cc1c[nH]c2ccccc12)Nc1nccc(n1)-c1c[nH]nc1-c1ccncc1
COc1ccc2[nH]c(C)c(-c3ccnc(Nc4ccc(Cl)cc4)n3)c2c1
Fc1ccc(Nc2nccc(n2)-c2c([nH]c3ccccc23)-c2ccccc2)cc1
Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(n1)N1CCCC1
COc1ccc(Nc2nccc(n2)-c2c(C)[nH]c3ccc(OC)cc23)cc1
C1CCC(C1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(NC2CCCC2)n1
Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(NCc2cccnc2)n1
Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(Nc2cccc(Cl)c2)n1
Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccc(F)c(F)c2)n1
Cc1[nH]c2ccccc2c1-c1ccnc(Nc2cccc(Cl)c2)n1
Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccccc2Cl)n1
Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccc(Cl)cc2)n1
Cc1[nH]c2ccccc2c1-c1ccnc(NCc2cccnc2)n1
Cc1[nH]c2ccccc2c1-c1ccnc(Nc2cccnc2)n1
Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(n1)N1CCN(CC1)c1ccc(F)cc1
COC(=O)c1ccc2c(c[nH]c2c1)-c1ccnc(SCCN(C)C)n1
Cc1[nH]c2ccccc2c1-c1ccnc(n1)N1CCN(CC1)c1ccccn1
Cc1[nH]c2ccccc2c1-c1ccnc(n1)N1CCCC1
COC(=O)c1ccc2c(c[nH]c2c1)-c1ccnc(NCCO)n1
COC(=O)c1ccc2c(c[nH]c2c1)-c1ccnc(NCCN2CCOCC2)n1
Cc1[nH]c2ccccc2c1-c1ccnc(n1)N1CCOCC1
Cc1[nH]c2ccccc2c1-c1ccnc(n1)N1CCN(CC1)c1ccc(F)cc1
CC(C)C(CO)Nc1nccc(n1)-c1c(C)[nH]c2ccccc12
CN1CCN(CC1)c1ccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)cc1
COCCCNc1nccc(n1)-c1c(C)[nH]c2ccccc12
COc1ccc2NC(=O)C(=NNC(=O)c3cc(Br)ccc3O)c2c1 |w:10.10|
NCc1ccc(cc1)C(=O)NN=C1C(=O)Nc2ccc(Br)cc12 |w:11.11|
CSc1cccc(c1)N=CC1C(=O)Nc2ccccc12 |w:9.10|
c1ccc2c(c1)c(c[nH]2)CCNc3ccc4nnc(n4n3)C(F)(F)F
O=c1nncc(Nc2ccc3cn[nH]c3c2)[nH]1
Cc1nnc(=O)[nH]c1Nc1ccc2cn[nH]c2c1
Nc1nc(Nc2ccc(OC(F)(F)F)cc2)c2[nH]cnc2n1
Cn1ncc2c(nc(NCCc3c[nH]c4ccccc34)nc12)N1CCOCC1
Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(NCCN2CCOCC2)n1
OCCNc1nccc(n1)-c1c[nH]c2ccccc12
C(CN1CCOCC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
Cc1[nH][nH]c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:8.9|
COc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(CC1)C(N)=O
CN1C(=O)NC(=O)\C(=C/c2c[nH]c3ccc(O)cc23)C1=O
O=C1NC(=O)\C(N1)=C\c1c[nH]c2ccccc12
Brc1ccc2[nH]cc(\C=C3/NC(=O)NC3=O)c2c1
O=C1Cc2ccc(Oc3ccc4CC(=O)Nc4c3)cc2N1
Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1
COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
O=C1NCc2c1c1c3ccccc3n3C4CCC(O4)n4c5ccccc5c2c4c13
Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl
Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1
Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12
Cn1nc2-c3ccccc3C(=O)c3cccc1c23
O=C1c2ccccc2-c2n[nH]c3cccc1c23
c1cc(cc(c1)Nc2ccnc(n2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F
c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5
OC(=O)\C=C\c1cc(Br)c(Br)c(Br)c1Br
[O-][N+](=O)c1ccc2NC3C(CC(=O)Nc4ccc(CCC#N)cc34)c2c1
Nc1n[nH]c2nc3ccccc3nc12
NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1c(F)cccc1F
c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N
CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
O=C1NC(=O)\C(N1)=C/c1c[nH]c2ccccc12
Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccc(F)cc2)n1
COc1ccc2[nH]c(C)c(-c3ccnc(NC4CCCC4)n3)c2c1
Cc1[nH]c2ccccc2c1-c1ccnc(NCCO)n1
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
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
CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(Cl)c2)c2c(N)ncnc12
Nc1nccc2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc2N(CCc2c1)C(=O)Cc1ccccc1
Nc1ncc(-c2cccnc2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
O=C(Nc1cc([nH]n1)-c1ccccc1)c1ccc(cc1)N1CCNC1=O
CC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
COCCO[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cc(Cl)cc(F)c4o3)cc2)c2c(N)ncnc12 |r,wU:5.4,wD:8.11,(8.16,-5.17,;6.68,-4.77,;5.59,-5.86,;4.1,-5.46,;3.01,-6.55,;1.52,-6.15,;.43,-7.24,;-1.05,-6.84,;-1.45,-5.35,;-.36,-4.26,;1.12,-4.66,;-2.94,-4.95,;-3.41,-3.45,;-4.95,-3.45,;-5.72,-2.12,;-4.95,-.78,;-5.71,.55,;-7.25,.55,;-8.02,1.88,;-7.25,3.21,;-5.76,3.37,;-5.42,4.91,;-4.1,5.68,;-4.1,7.22,;-2.76,7.99,;-5.43,7.98,;-6.76,7.21,;-8.09,7.98,;-6.76,5.67,;-7.88,4.63,;-8.03,-.79,;-7.25,-2.12,;-5.41,-4.91,;-6.83,-5.54,;-8.16,-4.77,;-6.99,-7.07,;-5.75,-7.99,;-4.33,-7.36,;-4.16,-5.83,)|
CCc1ccc(OC(F)(F)F)cc1CC(=O)N1CCc2cc(ccc12)-c1nn(CC)c2ncnc(N)c12
CCc1ccc(OC(F)(F)F)cc1CC(=O)N1CCc2cc(ccc12)-c1cn(CC)c2ncnc(N)c12
Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2o1)-c1nnn(CCCO)n1
CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12
Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
O=S1(=O)Oc2cc(O)c(O)c(O)c2-c2cc(O)c(O)cc21
COc1cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CCC4)n(C)n3)n2)cc(OC)c1
CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc21
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12