Compound Name

SMILES String

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

Cc1ccc(NNS(=O)(=O)c2ccc(C)cc2)cc1

COc1ccc(cc1)[C@H]1\C=C/CN([C@@H](C)C(=O)N1Cc1ccc(F)cc1)S(C)(=O)=O |c:10|

Cc1occc1C(=O)N1N=C(CC1(O)C(F)(F)F)C1CC1 |c:10|

CCn1cc(C(=O)N2CCN(CC2)C(=O)c2ccco2)c2cc(OC)c(OC)cc2c1=O

Clc1cc(cnc1Cl)C(=O)OCc1ccc(cc1)C#N

Cc1cnc(cn1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N

CC1CCN(CC1)C(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1

CCC(=O)Nc1cc2CCCN3C(=O)CCc(c1)c23

COc1ccccc1N1CCN(CC1)C1CCCN(C1)C(=O)Cn1cccn1

CCOc1ccc(OCCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1

Cc1cc(C)n2c(SCC(=O)Nc3cccc(c3)S(N)(=O)=O)nnc2n1

CN(C)CCn1c2sc3CCCCCc3c2c(=O)n(-c2ccc(F)cc2)c1=O

CCOC(=O)C1C(N(C(=O)C1=O)c1ccccc1)c1cccc(c1)[N+]([O-])=O

CCOc1ccccc1C1CC(=O)NC2=C1C(=O)CC(C)(C)C2 |c:15|

C[C@H]1CN=C(Nc2ccccc2)N1CCc1cccc(F)c1 |t:3|

FC(F)(F)c1ccc(N2CCCC2)c(NC(=O)C2CN(Cc3ccccc3)C(=O)C2)c1

[H][C@@]12C[C@@H](NC(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](CC[C@]12C)OC

Brc1ccc(Cc2cnc(NC(=O)CSc3nnc(-c4ccncc4)n3CC=C)s2)cc1

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O)c1ccc(F)cc1OCc1ccccc1 |t:4,TLB:2:4:11:8.9|

CCn1c(N)c(sc1=S)C(=O)NCc1cccnc1

OCCC1CCCCN1CC(O)COCc1ccc(Cl)cc1

Cc1cc(C)cc(c1)N(CCC(O)=O)S(=O)(=O)c1ccc2ccccc2c1

OC(=O)c1ccccc1SCC(=O)N1CCCCC1

[H][C@]12CN(C(=O)c3ccccc3)[C@@](Cc3ccc(OC)cc3)(C(=O)OC)[C@@]1([H])c1cc(C(=O)N3CCCC3)n(CCN3CCOCC3)c1C2

C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(\C=C\c2ccccc2)cc1F |c:3|

[O-][N+](=O)c1cc(ccc1N1CCC2(C[C+]([N-]O2)c2ccc(Cl)cc2)CC1)C(=O)NCc1ccccc1

COc1cc(cc(OC)c1OC)C(=O)OCCCOC(=O)c1cc(OC)c(OC)c(OC)c1

Cc1ccc(cc1)N=CCC(=O)C1C(=O)CC(C)(C)CC1=O |w:7.7|

COC(=O)C[C@@H]1N(C(C)C)S(=O)(=O)c2ccc(F)cc12

CCOC(=O)c1cnc(nc1Oc1ccc(OC)cc1)-c1ccccc1

CC(=O)Oc1cc2C(=O)CCc2c2ccccc12

Fc1ccc(cc1Cl)-n1c(=S)[nH]c2cc(ccc2c1=O)C(=O)NCCCN1CCOCC1

Clc1ccc2nc(SCC(=O)NCCc3ccccc3)[nH]c2c1

Cc1ccc(CN(CC(=O)NC2CCCCC2)C(=O)c2csnn2)cc1

CCCCCCCN1[C@@H](Cc2ccccc2)CN=C1Nc1ccccc1 |c:18|

Brc1ccc(o1)C(=O)OCn1nnc2ccccc2c1=O

CCc1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)cc1

OC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1

Cc1ccc(s1)C(=O)OCC(=O)c1ccc(Cl)s1

Cc1ccc(OCC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCCC2)c(n1)[N+]([O-])=O

COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1N1CCOCC1

CCC(=O)Nc1nc2nc(cc(-c3ccccc3)n2n1)-c1ccccc1

CCNS(=O)(=O)c1ccc(CCC(O)=O)cc1

COc1ccc(CC\N=C2/SCC(=O)N2Cc2ccccc2)cc1OC

CC1(C)c2ccccc2C(=O)c2ccccc12

COc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc23)cc1

CC(Nc1nc(cs1)-c1ccc(F)cc1)c1nc2cc(ccc2n1CCOCCO)C(F)(F)F

CCCN(C1CCS(=O)(=O)C1)C(=O)Cn1c(nc2ccccc12)C(F)(F)F

OCC[C@H]1C[C@H](O)[C@@H](O)[C@]2(CCCCO2)O1

CC(Nc1nc(C)cs1)c1nc2cc(ccc2n1CCCO)C(F)(F)F

CC#CCN(Cc1ccco1)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1

[H][C@@]12[C@H](O)c3ccc(OC)c(OC)c3CN1CCc1cc3OCOc3cc21

CCc1cccc(CC)c1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1

[O-][N+](=O)c1ccc(cc1N1CCCCC1)N1CCN(CC1)C(=O)c1cccc(F)c1

NC(=O)C1CCN(CC1)c1nc(cs1)-c1ccc2occc(=O)c2c1

CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2[nH]cnc2C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)cc1

CCOC(=O)C1(O)CC(C)=NN1C(=O)c1cccc(Br)c1 |c:9|

CC(Nc1nc(cs1)-c1ccc(Cl)c(c1)[N+]([O-])=O)c1nc2cc(ccc2n1Cc1ccc(C)cc1)C(F)(F)F

O=C(CCCc1ccccc1)N1CCCCC1c1cc(no1)C(=O)Nc1cccc2CCCCc12

Cn1c2ncn(CC(COCc3ccccc3)OCc3ccccc3)c2c(=O)n(C)c1=O

CC(=O)c1ccc(OCC(=O)Nc2nnc(s2)C2CC2)cc1

Clc1cc(Cl)cc(c1)S(=O)(=O)N1Cc2cnnn2-c2ccc(cc2C1)-c1ccccc1

CC(C)(C)c1nc(SCC(=O)NCc2ccco2)c2ccccc2n1

COc1ccccc1OP(C)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O

Cc1ccc(cc1)C(=O)N\C(=C/c1ccc(o1)-c1ccccc1[N+]([O-])=O)C(=O)NCCCN1CCOCC1

COc1cc(CN2C[C@@H](CO)O[C@H](C2)n2cnc3c(ncnc23)N2CCN(CC2)c2ccccc2)cc(OC)c1OC

Cc1ccccc1\C=C\c1nc2ccccc2c(=O)n1CCc1ccccc1

CC(=NNC(=O)c1cc(O)ccc1O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 |w:2.2|

COC(=O)C1C(C(=O)OC(C)C(=O)c2ccccc2)C(C(=O)OC)=C(C)N=C1C |c:27,t:24|

Cc1ccc(COn2c(nc3ncccc23)-c2ccc(Cl)cc2Cl)cc1

CCOC(=O)C(NC(=O)CC(C)C)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F

FC(F)(F)C1CCCN(C1)C(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F

CCCCN(c1ccccc1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CCC(O)=O

CCc1cccc(NC(=O)CCc2c(C)nn(c2C)-c2ccc(nn2)N2CCOCC2)c1

CN(c1ccc(OCC(=O)OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1)S(=O)(=O)c1cccs1

Cc1ccc(NC(=O)c2ccc3C(=O)c4ccccc4S(=O)(=O)c3c2)cc1S(=O)(=O)N1CCOCC1

CCOC(=O)C1=C(C)N=C2CCCC(=O)C2C1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 |c:5,t:8|

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1nc[nH]c1C(=O)NCc1ccccc1

CCN1C(=O)C(=O)c2cc(C)ccc12

[H][C@]12COc3ccccc3[C@]1([H])N1C(=O)N(C(=O)[C@]1(C)[C@@H]2C(=O)OCC)c1ccc(Cl)cc1

CC(C)C1=NC(=O)NC2CCCCC12 |t:3|

CC(=O)OC1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@@H](CCC4(O)C3CCC2(O)C1)C1OC(=O)C=C1 |c:34|

CCCS(=O)(=O)N1CCC(CC1)C(=O)NC1CCCC(C)C1C

[O-][N+](=O)c1cc(Oc2ccc(CCC(=O)N3CCCCCC3)cc2)cc(c1)[N+]([O-])=O

CCOC(=O)Cc1cnc(NC(=O)NC(C(=O)OCC)(c2ccccc2)C(F)(F)F)s1

OC1CCCN(CCCNC(=O)c2cc(COc3ccc(F)cc3F)on2)C1

[H]C12Cc3ccc(O)cc3C(CC)(CCN1C)C2CC

COc1ccncc1-c1csc(n1)C(O)c1ccccc1

CC(C=Cc1ccccc1)=NNC(=O)CCc1ccccc1 |w:10.11,3.3|

Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1NCCO

NNc1ncnc2n(ncc12)-c1ccccc1

CCCN=C1NC(=Cc2ccco2)C(=O)N1c1ccccc1 |w:3.2,7.7|

Cc1noc(C)c1COc1ccc(cc1)C(=O)Nc1cccc(C)c1

CC(=C)COc1ccc(-c2n[nH]cc2-c2ccccc2)c(O)c1

CCOC(=O)c1ccc2[nH]c(C)c(C)c2c1

Nc1ccc(cc1)C#Cc1c(oc2ccc(cc12)N1CCOCC1)-c1ccsc1

Cc1ccsc1\C=C(/NC(=O)c1ccc(C)cc1)C(=O)NCc1ccco1

ClC1=C(Cl)C2(Cl)C3C(C(=O)C=CC3=O)C1(Cl)C2(Cl)Cl |c:1,10,TLB:0:1:7.6:16,8:7:16:1.2,THB:12:6:16:1.2,3:2:7.6:16|

Cc1cc2NC(C3C(=O)CC(C)(C)CC3=Nc2cc1C)c1nc2ccccc2[nH]1 |c:15|

COc1ccc(cc1OC)C1CC(n2nc(C(O)=O)c(Cl)c2N1)C(F)(F)F

CC(C)C[C@@H](COc1ccccc1)N1CCN(CCc2ccccc2)CCC1=O

NS(=O)(=O)c1ccc(CNC(=S)NCc2ccc(F)cc2)cc1

COc1ccc(cc1F)C(=O)N1CCC(C)(C1)C(=O)NS(=O)(=O)C1CC1

CCN(CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc12)c1cccc(C)c1

COc1cccc(OCCNC(=O)Nc2cc(F)c(F)cc2Cl)c1

CC(=O)Nc1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1 |t:15|

CCc1cc(C(=O)OC)c(NC(=O)c2ccoc2C)s1

CC(=NN(Cc1ccccc1)c1ccccc1)c1ccccc1 |w:2.2|

COc1ccc(cc1)C(=O)COC(=O)C(CCSC)NS(=O)(=O)c1ccc(Cl)cc1

Fc1ccccc1N(C(C(=O)NCc1ccccc1)c1cccnc1)C(=O)c1ccccn1

Cc1nn(c(C)c1C(=O)OCC(=O)Nc1ccccc1)-c1ccccc1

COc1ccc(cc1)-n1c(O)cc(SCCc2nc3ccccc3[nH]2)c1O

COc1ccc(cc1)[C@H]1\C=C/CN([C@@H](C)C(=O)N1Cc1ccc(F)cc1)C(=O)C1CC1 |c:10|

CCc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(F)c1 |c:14|

CC(=O)Nc1cccc(c1)-c1csc(NCc2ccccc2)n1

Cc1cccc(CN2CCN(CC2)C2CN(Cc3cn(Cc4cccc(Cl)c4)nn3)S(=O)(=O)C2)c1

CCOc1cc(cc(OCC)c1OCC)C(=O)NCCN1CCOCC1

CC(=O)NC(c1nc(cs1)-c1cccc(c1)C(F)(F)F)c1cccc(F)c1

Fc1ccc(NC(=O)c2cc(cs2)S(=O)(=O)Nc2ccc(F)cc2)cc1

CC(C)(C)N(NC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1

CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(cc1)C(C)C

COc1ccccc1C(=O)NC(=O)CSc1nncn1C

COc1ccc(-c2n[nH]cc2CN(C)CCc2c(C)n[nH]c2C)c(F)c1

COc1ccc(CCNC(=O)c2c(O)c3cccc4CCn(c34)c2=O)cc1OC

Fc1ccccc1CN1[C@@H](Cc2ccccc2)COCCS1(=O)=O

Fc1ccc(SCc2noc(C(=O)NCC=C)c2C(=O)NCC=C)cc1F

COc1cccc(c1)N1[C@@H](CC(C)=O)c2ccc(C=CC(C)=O)cc2S1(=O)=O |w:18.18|

[H]C12CC3([H])CC([H])(C1)CC(CNC(=O)C[C@@H]1C[C@]4(CCCC=C4N(CCC4=CCCCC4)C1=O)C(=O)OCC)(C2)C3 |c:23,t:29,TLB:8:6:41:1.40.2,5:3:40:6.9.8,THB:5:6:40:3.41.2|

[O-][N+](=O)c1ccc(CSC2=NCCN2C(=O)Cc2ccc(F)cc2)cc1 |t:9|

Cc1cc(N=C(NS(=O)(=O)c2cc(F)ccc2F)c2ccccc2)n(n1)-c1ccccc1 |w:4.3|

[H][C@]12CCN3C(=O)CCC[C@]([H])(Cc4nc5cc6OCOc6cc5cc14)[C@]23[H]

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-[#6](=O)-c1ccco1

CCOC(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1

COc1cccc(c1)-c1ccc2SC(C)C(=O)N(Cc3ccccc3OC)c2c1

CC(=O)Nc1cc(F)c-2c(Cc3cc(F)ccc-23)c1F

CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6|

[H]C12CC3([H])CC([H])(C1)CC(CCN1[C@@H](CCCCN)CN=C1N)(C2)C3 |c:22,TLB:8:1:25:6.9.5,8:6:25:1.24.2,THB:2:1:9:3.25.5|

COc1ccc(cc1)C1CC(O)(Oc2cc(OC)ccc12)c1ccccc1

CC(=O)N1CCSc2ccc(cc12)S(=O)(=O)Nc1ccc(C)cc1

O=C(\C=C\c1ccccc1)c1ccccn1

COc1ccc(NC(=O)C(C)Sc2ccccc2)cc1

CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)N1CCN(CC1)C(=O)OC(C)(C)C

O=C1CCCN1CCCNc1nc(NCc2cccs2)nc2ccsc12

O=C(NNC(=O)c1ccc(=O)[nH]c1)c1csc(n1)N1CCOCC1

CC(Nc1ccc2ccccc2c1)C(=O)N\N=C\c1ccncc1

CCOC(=O)c1c2ccc(OCC(=O)NN)cc2n2ccccc12

Cc1ccc(NC(=S)Nc2cccc3ccccc23)cc1

Clc1ccc(cc1C(=O)Nc1ccc(cc1)N1CCOCC1)-n1cnnc1

Fc1cc(Cl)ccc1Nc1nc(NCc2ccccc2)nc2ccsc12

CCN(CC)C(=O)c1cccc(c1)-c1csc(n1)C(NC(C)=O)c1cccc(OC)c1

COC(=O)c1cccc(NC(=S)NCCC2=CCCCC2)c1 |t:15|

CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3cccc(Cl)c3)c(c2)C(=O)NCCCc2ccccc2)OC1(C)C

CCOc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1sccc1C

C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3ccc(Oc4ccccc4C)cc23)C1=O)N(C)C(=O)Nc1cc(Cl)cc(Cl)c1

COc1cc2oc(=O)ccc2cc1[C@@H](O)[C@@H]1OC(C)(C)OC1(C)C

CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc3OCOc3cc2s1

O=C(Nc1ccccc1N1CCOCC1)c1ccc(cc1)N1CCCC1=O

Cc1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc1

CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1ccc(Br)cc1)C(=O)NCc1ccccc1 |c:5|

Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O

CCn1c2ccccc2c(O)c(C(=O)NCCNCCO)c1=O

NC(=S)NNC(=S)Nc1ccccc1

Cc1ccc(cc1S(=O)(=O)Nc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1

CN(C)\C=C\c1c([N+]([O-])=O)c2ccc(O)cc2n1-c1ccccc1

O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)NCc1ccco1

CC(C)Oc1ccc(F)cc1-c1cc([nH]n1)C(=O)NCc1ccc(F)cc1

CCOC(=O)c1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(NC(=O)c2ccco2)c1

CCOC(=O)N1CCN(CC1)C(=O)c1cc(COc2ccc(OC)cc2Cl)on1

CC(C(=O)N1CCN(CC1)c1ccc(Cl)cc1)c1ncc(cc1Cl)C(F)(F)F

Cc1ccc(cc1)-n1ncc2c1nc(-c1ccco1)n(-c1ccc(C)cc1)c2=O

Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)ccc2n1C

CC(=O)Nc1ccc2nc3c(nc2c1)n(C)c(=O)n(C)c3=O

Fc1ccccc1NC(=O)COC(=O)C1CN(Cc2ccccc2)C(=O)C1

c1cc(ccc1Cc2ccncc2)[N+](=O)[O-]

Cc1cccc(C)c1Nc1nnc(SCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCCC2)s1

CC(=O)Nc1ccc(Oc2cc(C#N)c(cc2N2CCOCC2)C#N)cc1

CC(C)NC(=O)c1c(CSc2ccccc2)noc1C(=O)NCc1ccccc1

CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CN1C(=O)c2ccccc2C1=O

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cccc2c1oc(-c1ccccc1)c(C)c2=O

[O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)c1ccccn1

Cc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)NCCc3ccc4ccccc4c3)O2)c(=O)[nH]c1=O

COC(=O)c1c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)sc2CCCCc12

CNS(=O)(=O)c1ccc(Nc2cccc(c2)C(F)(F)F)nc1

CC(C)CCNC(=O)[C@H](CC(C)C)N1CCC(=C)c2ccccc2S1(=O)=O

COc1cccc(c1)C(=O)N1N=C(CC1(O)C(F)(F)F)c1ccccc1 |c:12|

[H][C@@]12CC=C3C(CC)=C(OC(=O)N(CC)CC)N4C(=O)O\C(=N/CCOC)[C@]4(Cc4ccccc4)[C@]3([H])[C@]1([H])C(=O)N(CC(=O)OC)C2=O |t:3,7|

Cc1onc(c1C(=O)N1CCCC1)-c1ccccc1

COc1cccc(OCC(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)c1

Cc1cc2cc(CNC(=O)c3ccco3)ccc2n1C

Cc1cc(C)n2c(Nc3ccc4OCCOc4c3)c(nc2n1)-c1ccccn1

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Oc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccco1 |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:3:9:1.11.8|

CCCS(=O)(=O)N1CCC(Cc2ccc(OC)cc2)(CC1)C(=O)OCC

Cc1ccccc1-n1ncc2C(CC(C)(C)Cc12)NC(=O)c1ccncc1

OC(=O)c1ccccc1-c1ccc(C=O)o1

Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1

[H][C@@]12N(C)c3ccccc3[C@@]11C[C@@H](CO)N(C(=O)OCCC#C)C1=NC(C(=O)OC)=C2C(=O)OC |c:26,32|

CC1CCC(CC1)NC(=O)CSc1nncn1C |(4.41,-6.57,;4.41,-5.03,;5.75,-4.26,;5.75,-2.72,;4.41,-1.95,;3.08,-2.72,;3.08,-4.26,;4.41,-.41,;5.75,.36,;7.08,-.41,;5.75,1.9,;7.08,2.67,;7.08,4.21,;5.84,5.11,;6.31,6.57,;7.85,6.57,;8.33,5.11,;9.79,4.63,)|

COc1ccc(cc1)C(N(C(=O)CCC(=O)Nc1cc(C)on1)c1c(C)cccc1C)C(=O)NC(C)(C)C

FC(F)(F)c1cc(c2ccc(Oc3ccccc3)nc2n1)C(F)(F)F

CCc1ccccc1Nc1[nH]c(=O)nnc1C

OCc1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1

CCC1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(C)cc2)C1=O

O=c1ccsn1Cc1ccccc1

OC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1

CCCNC(=O)[C@H]1N2C(SC1(C)C)c1ccc(OC)c(OC)c1C2=O

CC(C)Nc1nc(NCCNC(C)=O)c2sccc2n1

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)N(C)C(=O)c1c(Br)cnn1CC |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|

CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1

O=C(N1CCc2ccccc2C1)c1ncn(Cc2ccccc2)c1C(=O)N1CCc2ccccc2C1

Cc1cc(NC(=O)CCC(=O)NNC(=O)c2ccc(cc2)C(C)(C)C)no1

CCOc1ccc(cc1)-n1c(Cc2cc(=O)[nH]c(=O)[nH]2)nnc1SC(C)C

COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1CCCCO |c:27,t:7,9|

CN(C(=O)CCC1CCCC1)c1c(C)nc2c(OCCC3CCCCC3)cccn12

O=C(CSC1CN(C1)C(c1ccccc1)c1ccccc1)N\N=C\c1ccccc1

COc1cc(cc(OC)c1OC)C(=O)OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F

CSc1nc2ccccc2c(=O)n1C1CCOC(C)(C)C1

COc1cc(cc(OC)c1OC)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1

NS(=O)(=O)c1cccnc1Nc1cccc(Cl)c1Cl

[#6]\[#7+](-[#6])=[#7]\[#6-]-c1ccc(-[#16]-c2ccc(cc2-[#7+](-[#8-])=O)-[#7+](-[#8-])=O)o1

Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1S(=O)(=O)Nc1cccc(Cl)c1

Nc1ncnc2[nH]c(=S)[nH]c12

Fc1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCCCC(=O)OCc2ccccc2)cc1

COc1ccccc1NCC(=O)NN=C1CC(CC=C1C)C(C)=C |w:13.13,c:19|

[O-][N+](=O)c1cc2C(=O)N(C(=O)c3cc(cc(c1)c23)[N+]([O-])=O)c1ccccn1

OC(=O)c1cccc(c1)N1C(=O)c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O

COc1ccc(cc1)\N=C1/N(C(=S)N(/C/1=N/c1ccc(OC)cc1)c1ccc(cc1)N(C)C)c1ccc(OC)cc1

Cc1cccc(c1)-c1noc(CSc2ccccc2)n1

CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)OCc1ccccc1

CSc1ncccc1C(=O)OCC(=O)NC1CCCCC1

Fc1ccccc1CSc1nc2n[nH]cc2c(=O)n1-c1ccc(Br)cc1

COc1ccc(OCc2cc3c(nn(C)c3s2)C(F)(F)F)cc1

COCCNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc12)Cc1cccs1

Cc1ccccc1NC(=O)c1cccc(NC(=O)CCC(O)=O)c1

O=C(Cn1cccc1C(=O)c1ccccc1)NCCC1=CCCCC1 |t:21|

CCN(C[C@H]1N[C@](CC)([C@@H]2[C@H]1C(=O)N(C)C2=O)C(=O)OC)S(=O)(=O)c1ccc(OC)cc1

COc1ccc(cc1)-c1csc(Nc2cccnc2)n1

NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1

COc1ccc(cc1S(=O)(=O)NCc1cccc(C)c1)-c1cc(C)no1

Nc1cc(cc(c1O)[N+]([O-])=O)S(O)(=O)=O

Fc1ccccc1Nc1nc2ccccc2c(=O)o1

CCOCCCNC(=O)C(N(Cc1cccs1)C(=O)c1ccccc1O)c1ccc(C)cc1

CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CCC1

CC(C)CCNC(=O)C(N(C(=O)c1ccc(CN2CCOCC2)o1)c1ccc(C)cc1C)c1cccs1

CCOc1ccc(cc1)C1CC(c2ccc(CC)cc2)n2nc(N)nc2N1

[H][C@@]12CC=C3C(CC)=C(OC(=O)N(CC)CC)N4C(=O)O\C(=N/CC5CC5)[C@]4(Cc4ccccc4)[C@]3([H])[C@]1([H])C(=O)N(C)C2=O |t:3,7|

Cc1ccc(cc1)S(=O)(=O)NCC(=O)N(C(C(=O)NCc1ccccc1)c1ccco1)c1ccccc1

CC(C)OC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1

COc1ccccc1COc1ccc2c(C)c(CC(O)=O)c(=O)oc2c1C

O=C(COc1ccc(cc1)S(=O)(=O)N1CCCC1)Nc1ccc2OCCOc2c1

CCn1c(SCc2cccc(F)c2)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1

COc1ccc(\C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c(N)scc23)cc1

CCOC(=O)Cc1csc(NC(=O)CSc2ncnc3n(ncc23)-c2ccccc2Cl)n1

Fc1ccc(SCC2CSc3nc4ccccc4c(=O)n23)cc1

[H][C@@]12CC=C3C(CC)=C(OC(=O)N(CC)CC)N4C(=O)O\C(=N/CC(=O)OC)[C@]4(C)[C@]3([H])[C@]1([H])C(=O)N(CC)C2=O |t:3,7|

Cn1c2ccccc2sc1=NC(=O)COc1ccccc1 |w:10.12|

C[C@@H](NC(=O)c1nc[nH]c1C(=O)Nc1cccc(Cl)c1)c1ccccc1

CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Oc2ccc(c(c2)C(=O)NCc2ccccc2)-c2ccccc2Cl)OC1(C)C

CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(ccc2OC)-c2nnnn2CC)cc1

COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1CCCOC(C)C |c:27,t:7,9|

CCCCc1c(O)cc(-c2ccncc2)n(-c2ccccc2)c1=O

COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1

Fc1ccc(cc1)C(=O)NNC(=O)C1CCN(CC1)c1ncccn1

O=C1CSC(N1CC1CCCO1)c1cn(nc1-c1cccs1)-c1ccccc1

CC(C)C(N)c1csc(NC(=O)Nc2cccc(c2)C(F)(F)F)n1

Clc1ccccc1-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1

Cn1c2nc(NCCCN3CCOCC3)[nH]c2c(=O)n(C)c1=O

Cc1c(NP(=O)(C(C)(C)C)C(C)(C)C)c(=O)n(-c2ccccc2)n1C

CN(C1CCCCC1)C(=O)COC(=O)c1cnc(Cl)c(Cl)c1

CC(C)(C)C(=O)c1cnc(Nc2ccccc2)s1

C(Nc1nnc[nH]1)c1ccc(NCc2cccc3ccccc23)cc1

CC(Oc1ccccc1)C(=O)NC1=NCCS1 |t:13|

Cc1ccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1[N+]([O-])=O

COc1ccc(cc1)-c1noc(CN(C(C)C)C(=O)c2ccc3OCOc3c2)n1

C[C@@]12CCC[C@](C)(C1CC[C@@]13CC(=C)[C@@](O)(C1)CCC23)C(O)=O

OCCCc1n[nH]c(=S)n1-c1ccccc1

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c1nc[nH]c1C(=O)N1CCc2ccccc2C1

CNC(=O)Nc1ccccc1C(=O)NCc1ccccc1

CN(C)Cc1cc(ccc1C(O)(c1ccccc1)c1ccccc1)C(F)(F)F

Cc1ccc(cc1)C(=O)C1CN2CCC1CC2 |THB:7:9:15.16:13.12|

CCc1ccc(NC(=O)CCn2nc(C)c(c2C)S(=O)(=O)N2CCCCC2)cc1

COC(=O)c1ccn(n1)C(=O)c1ccc(Cl)cc1

Cc1ccccc1-c1c[nH]c(n1)C(O)c1ccc(F)c(F)c1

CCC1CCCCN1C(=S)Nc1ccc(OC(F)F)cc1

Cc1ccccc1NC(=S)NC(=O)COc1ccccc1C

C[C@@H](C(=O)Nc1cccnc1)n1c(=O)[nH]c2ccccc2c1=O

COCc1cccc(c1)-c1csc(n1)C(C)(O)c1ccccc1

Cc1cc(C)n(n1)-c1nnc2SCC(=Nn12)c1c[nH]c2ccccc12 |c:14|

N#C\[#6](=[#6]/c1cc2ccccc2nc1-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)C#N

Cc1onc(c1-c1csc(COc2ccccc2)n1)-c1ccc(Cl)cc1Cl

Cc1cccc(NS(=O)(=O)c2cccs2)c1

COC(=O)C1N[C@H](SC1(C)C)[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1ccccc1

CCCNC(=S)Nc1cccc(c1)C(F)(F)F

O=C(O\N=C1\CCSc2ccccc12)c1ccccc1

OCCNc1ncnc2ccc(Br)cc12

Oc1ccc(cc1)-c1nc2ncccn2c1Nc1ccc2OCOc2c1

CC(C)(C)n1cnc2cc(NC(=O)c3ccccc3)ccc12

COC(=O)c1ccccc1NC(=O)CSc1nc(C)cc(C)n1

COc1ccc(cc1)C(CNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCC1)N1CCCC1

Clc1ccccc1C(=O)NNC(=O)c1cccnc1

CCOC(=O)c1[n+]([O-])c2cc(OC)ccc2n(O)c1=O

CCOC(=O)C1CCN(Cc2ccc3ccccc3c2)CC1

Cc1cc(=O)n2nc(sc2n1)N1CCCC(C1)C(=O)N1CCOCC1

COc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1Cl

O=C(NCCOC(=O)c1ccccc1)c1ccccc1

CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2ccon2)CC1

CCOC(=O)N1CCN(CC1)C(=O)Nc1ccc2nc(C)c(C)nc2c1

OCCCn1c(CCNc2nc(cs2)-c2ccc(Cl)c(c2)[N+]([O-])=O)nc2cc(ccc12)C(F)(F)F

Clc1ccc(SCC(=N)NS(=O)(=O)c2ccc(Cl)cc2)cc1

FC(F)Oc1cccc(c1)C(=O)NCCN1CCN(CC1)C(=O)c1cccc(OC(F)F)c1

Fc1cccc(c1)-c1ccnc2OC(Cc12)C(=O)Nc1cccc(c1)C(F)(F)F

CC(=O)C(Sc1cccc2cccnc12)=NNc1ccc(Cl)cc1Cl |w:15.17|

Cn1c2nc(OCc3cccnc3)n(Cc3ccccc3)c2c(=O)n(C)c1=O

CC(C)C(NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1cc(C)ccc1C)C(O)=O |(4.61,-.17,;6.08,.3,;7.22,-.73,;6.4,1.81,;7.86,2.29,;9.01,1.26,;8.69,-.25,;10.47,1.73,;11.62,.7,;13.08,1.18,;13.56,2.64,;15.1,2.64,;15.57,1.18,;17.04,.7,;18.18,1.73,;19.65,1.26,;19.97,-.25,;18.82,-1.28,;19.14,-2.79,;17.36,-.8,;14.33,.27,;14.33,-1.27,;15.66,-2.04,;15.66,-3.58,;17,-4.35,;14.33,-4.35,;12.99,-3.58,;12.99,-2.04,;11.66,-1.27,;5.25,2.84,;3.79,2.37,;5.57,4.35,)|

CCOC(=O)N1CCN(CC1)C(=O)c1cc2NC(CC(n2n1)C(F)(F)F)c1ccc2OCOc2c1

COc1cc(OC)nc(NC(=O)COC(=O)c2cccc(Cl)c2)n1

O=C(Cn1ccc(NC(=O)OCc2ccccc2)nc1=O)NCCCn1ccnc1

[O-][N+](=O)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)N2CCCC2)cc1

CCN(CC)C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12

Clc1ccc(NC(=S)NCCCN2CCCC2=O)c(Cl)c1

Cc1ccc2=NC(=NNC(c3ccncc3)=c2c1)c1ccc(F)cc1 |c:6,16,t:4|

O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccn1

O=c1[nH]c(Nc2ccccn2)cc2ccccc12

CN1C(c2c(oc3ccccc3c2=O)C1=O)c1ccccn1

Fc1ccc(cc1)-c1nc(c(o1)N1CCOCC1)S(=O)(=O)c1ccccc1

COc1ccccc1N1CCN(CC1)C(=O)C1c2ccccc2Oc2ccccc12

CC(C)(C)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccncc1

Cn1cnc2cc(NC(=O)c3ccco3)ccc12

NC(=O)C1=C[C@@H](C[C@H](OCc2ccc(CO)cc2)O1)c1ccc(Br)cc1 |t:3|

COc1cc(Cn2nnc3ccccc23)cc(Br)c1O

CC(CN1CCCCC1)OC(=O)c1ccc(Cl)cc1Cl

OC(=O)CCSc1nnc(COc2cccc3cccnc23)n1-c1ccccc1

Cn1c(SCc2nc3ccccc3s2)nnc1-c1cccs1

OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C/C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@@H](Cc2c[nH]c3ccccc23)NC1=O |c:17|

COc1n(C)nc2cc(ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Cc1ccc(CN=Nc2nc3ccccc3[nH]2)s1 |w:7.7|

C(Nc1ccc2OCOc2c1)c1ccncc1

CC(=O)Nc1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(Cl)cc2)cc1

CC(=NN=c1sc2ccccc2n1C)c1ccccn1 |w:3.2,1.0|

COc1ccc(cc1)-c1csc(NCCc2nc3cc(ccc3n2Cc2ccc(C)cc2)C(=O)NCCCO)n1

CC(C)C[C@H](N1CCC(=C)c2ccccc2S1(=O)=O)C(=O)NCc1ccccc1

[O-][N+](=O)c1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1

Fc1ccc(c(F)c1)-n1c(SCC(=O)Nc2ccc3CCCc3c2)nc2ccccc2c1=O |(5.55,-6.99,;6.88,-6.22,;8.22,-6.99,;9.55,-6.22,;9.55,-4.68,;8.22,-3.91,;8.22,-2.37,;6.88,-4.68,;10.88,-3.91,;10.88,-2.37,;9.55,-1.6,;9.55,-.06,;8.22,.71,;6.88,-.06,;8.22,2.25,;6.88,3.02,;5.55,2.25,;4.22,3.02,;4.22,4.56,;3.08,5.59,;3.7,6.99,;5.23,6.83,;5.55,5.33,;6.88,4.56,;12.22,-1.6,;13.55,-2.37,;14.93,-1.54,;16.32,-2.34,;16.32,-3.94,;14.93,-4.73,;13.55,-3.91,;12.22,-4.68,;12.22,-6.22,)|

CCOc1ccccc1N1CCN(CC1)C(=O)c1ccncc1

OCC1OC(C(O)C1O)n1cnc2c(CC(=O)c3ccccc3)ncnc12

CCCCOc1ccc(cc1)C(=O)N\C(=C\C=C\c1ccccc1)C(=O)NCCCO

CCOc1ccc(cc1)-n1c(O)cc(N2CCN(CC2)c2ccc(Cl)cc2)c1O

COc1ccc(\C=N\NC(=O)c2ccccc2Cl)cc1CSc1nc2ccccc2s1

CCOC(=O)C1=CCN(C1c1ccccc1)S(=O)(=O)c1ccccc1Br |t:5|

Cc1cc(NC(=O)COC(=O)c2ccc(C)c(C)c2)no1

CCNC(=O)C1(C)CCCN(C1)C(=O)c1nc(C)oc1C

COc1ccc(Cl)cc1NC(=O)C(C)N1CCc2ccccc12

C(COc1ccccc1)CN1CCCC1

FC(F)(F)C1CC(Nc2ncnn12)c1cccs1

CCN(CC)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nsnc2c1

CCOc1ccc(\C=C2\Sc3ccc(cc3N(C)C2=O)C(=O)NCC2CCCO2)cc1OC

CCOC(=O)CNc1ccc2OCOc2c1

CC(=O)O[C@H]1CC[C@]2(C=C)C3CC[C@@]4(C)C(CCC44OCCO4)C3CC=C2C1 |c:28|

CCOC(=O)Cn1c2cc(ccc2c(=O)n(Cc2ccco2)c1=O)C(=O)NC1CCCC1

[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(o1)-c1cccc(Cl)c1

Cn1cccc1C1Nc2ccccc2N=C2CC(C)(C)CC(=O)C12 |t:16|

Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CS(=O)CC(=O)Nc2ccc3OCOc3c2)c1C

CSc1cccc(CN2CCN(Cc3ccccc3)C(CCO)C2)c1

COc1ccc(NC(=O)CN2CCN(CC2)c2c(C)cc(C)cc2C)cc1

Fc1ccc(cc1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12

CC(C)(C)n1nc(-c2ccc(F)cc2)c2c(N)ncnc12

O=C(N\C(=C/c1ccccc1)C(=O)NCCc1nc2ccccc2[nH]1)\C=C\c1ccco1

CCOc1n(CC)nc2cc(ccc12)C(=O)NCCc1cccs1

Clc1ccc(NC(=O)Nc2ccccc2)c(c1)C1COC(=O)C1=N

CCOc1cccc(CNc2nnc[nH]2)c1OCC=C

[H]C12OC3(CN(C(C)c4ccc(Br)cc4)C(=O)C3C1C(=O)OCC(C)C)C=C2 |c:29|

CC(C)N(Cc1ccccc1)C(=O)COc1ccccc1NC(C)=O

CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ccc(O)cc1

CCCCc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OCCO2

CC1(C)CN=C(Nc2ccc(F)c(Cl)c2)S1 |t:4|

OC(=O)CCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCc2ccccc12

COc1ccc(OCC(=O)ONC(=N)Cc2ccc(Cl)cc2Cl)cc1

CCCn1c(C)cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)c1C

O=C1CCN(Cc2ccccc2)S(=O)(=O)c2ccccc12

CC1CCC(CC1)NC(=O)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1 |(4.41,-10.04,;4.41,-8.5,;5.75,-7.73,;5.75,-6.19,;4.41,-5.42,;3.08,-6.19,;3.08,-7.73,;4.41,-3.88,;5.75,-3.11,;7.08,-3.88,;5.75,-1.57,;7.08,-.8,;7.08,.74,;5.75,1.51,;5.75,3.05,;7.08,3.82,;7.08,5.36,;5.54,5.36,;8.62,5.36,;7.08,6.9,;5.75,7.67,;5.75,9.21,;7.08,9.98,;8.41,9.21,;9.79,10.04,;11.19,9.25,;11.19,7.64,;9.79,6.85,;8.41,7.67,;4.41,.74,;4.41,-.8,)|

Cc1cc(C)c(c(OCC#C)n1)S(=O)(=O)c1ccccc1C

Cc1ccc(OCc2cc(no2)C(=O)N2CCNC(=O)C2Cc2ccccc2)cc1C

Clc1nc(nc2scc(-c3ccccc3)c12)-c1ccccn1

Fc1cnc(nc1N1CCOCC1)N1CCOCC1

Cc1ccc(Nc2c(nc3ncccn23)-c2ccccc2O)cc1

CC(=O)OC[C@@H]1CN(Cc2cccc(c2)C(F)(F)F)C[C@@H](O1)n1cnc2c(NCc3ccco3)ncnc12

CC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)(C(O)=O)c1ccccc1

OC(=O)c1ccccc1CSc1ccccn1

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1nc(-c2ccccc2)n(n1)-c1ccccc1

CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccs1

Cc1ccc(Cn2nnnc2CN2CCC(CC2)n2nnc3ccccc23)cc1

CCc1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1

C[C@@H](NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1)c1ccccc1

CC(O)(c1nc(\C=C\c2ccccc2)cs1)c1cccnc1

C1COc2n(C1)nc1ccccc21

COc1cc2CC(C)(C)N=C(Nc3ccc(cc3)S(N)(=O)=O)c2cc1OC |t:9|

CC(CN1CCOCC1)OC(=O)c1ccc2OCCOc2c1

COC(=O)C(C(C)C)N1CCC(=C)c2cc(F)ccc2S1(=O)=O

Cc1ccccc1Nc1cc(=O)oc2ccccc12

COCCNC(=O)c1cc(nn1CC1C[C+]([N-]O1)c1cccc(c1)[N+]([O-])=O)-c1ccccc1

COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)Nc1nc2CCCCc2s1

CCCCn1nnnc1C(N(C)Cc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1

CCOC(=O)\C=C\COc1ccccc1[N+]([O-])=O

Cc1ccc(cc1)N=CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 |w:7.7|

CCCc1c(C)nc([nH]c1=O)N1CCN(CC1)c1ccccc1OC

CNc1nc(cs1)-c1ccc2N(CCc2c1)C(=O)c1ccccc1F

COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)C(C)(C)C)CC1

NC(=O)c1c(NC(=O)C(=O)N2CCOCC2)sc2CCCCc12

CCOc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2ccccc2o1

COc1ccc(Cn2c(nc3ccc(NC(=O)c4cccnc4)cc3c2=O)C2CC2)cc1

COc1ccc(cc1NC(=O)c1c(F)cccc1Cl)S(=O)(=O)N1CCCCC1

Oc1nc(SCC(=O)N2CCOCC2)n(-c2ccccc2)c(=O)c1Cc1ccccc1

CN(Cc1cnn(C)c1)C(=O)c1cc2ccccc2oc1=O

[O-][N+](=O)c1ccc(o1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1

CC1CCN(CC1)C(=O)CSc1nncn1C

CCCCCc1c(ncn1CCc1ccccc1OC)-c1cccc(Cl)c1

COc1ccc(cc1)N(CC(=O)NCc1ccco1)C(=O)CCC(=O)Nc1ccccn1

CCC1CCCCN1CCCNC(=O)C1CCCN(C1)S(=O)(=O)N1CC(C)CC(C)C1

NC(=O)C(c1ccc(Cl)cc1Cl)c1ncc(cc1Cl)C(F)(F)F

CCOC(=O)C1C(=N)Oc2ccccc2C11C(=O)N(CC=C)c2c1c(=O)oc1ccccc21

Cc1ccc2cc(CN(c3ccccc3C)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1

Brc1ccc(cc1)N1CC(CC1=O)C(=O)N(CC=C)CC=C

Cc1ccnc(n1)N1CCC(CC1)C(=O)Nc1ccc2OCCOc2c1

CCOC(=O)C[C@@H]1N(Cc2ccccc2)S(=O)(=O)c2ccc(cc12)C(F)(F)F

COC(=O)n1c2ccccc2oc1=O

OC(=O)c1ccc(C(=O)Nc2cccc3ccccc23)c(c1)C(O)=O

Fc1ccc(OCc2ccc(o2)C(=O)NC2CC2)cc1

CCc1onc(C)c1C(=O)Nc1cc(C)ccc1OC

CCCCOc1ccc(cc1)S(=O)(=O)N1CCN(C)CC1

Cc1onc(c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)-c1ccccc1

CNC(=O)NC(=O)C(C)OC(=O)c1c(C)noc1C

O=C(CN1C2=NCCN2c2ccccc12)c1ccco1 |t:4|

CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nncn2C)c1

NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1 |t:1|

C(N1CCCc2ccccc12)c1nnnn1CC1CCCO1

[O-][N+](=O)c1ccc(cc1)-n1nnnc1CN1CCCCC1

Cc1cnccc1CNC(=O)CC1N(CC(C)(C)C)CCNC1=O

Cc1cc2c(nc[nH]c2=O)s1

Cc1ccc(cc1)C(=O)Nc1nnc(s1)[C@H]1C[C@H](O)[C@@H](CO)O1

COc1ccc2S\C(N(C)c2c1)=C1/S\C(=N/Cc2ccccc2)N(C1=O)c1ccccc1

O=C(NCc1ccccc1)c1cccc(c1)S(=O)(=O)N1CCCCC1

CC(OC(=O)c1ccco1)C(=O)Nc1nc(cs1)-c1ccccc1

COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1Cc1ccc(OC)cc1 |c:31,t:5,7|

CCC(NCCc1ccccc1)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O |w:12.27|

COc1cccc(NC(=O)CSc2nc(O)c(C)c(=O)n2-c2ccc(C)cc2)c1

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)N1CCN(CC1)C(=O)c1ccc(C)o1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|

Fc1ccc(cc1)-c1cc(no1)C(=O)NCCN1CCOCC1

Clc1ccccc1CC(=O)N1CCOCC1

NC(=O)C1CCCN(C1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1

Cc1ccc(cc1NC(=O)Nc1cccc2ccccc12)C(O)=O

COc1cccc(OCc2cc(no2)C(=O)N2CCCC2(CC=C)CC=C)c1

COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCN(C)C)C(=O)C2=O)c2ccc(OCC=C)cc2)c1C

Clc1cccc(CNC(=O)CCn2c3ncccc3n3cccc3c2=O)c1

Cc1nc(SCc2ccc(cc2)C(O)=O)nc2CCCCc12

CC(Sc1nnc(C)s1)C(=O)Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1

Cc1ccccc1OCC1Cc2c(O1)nc(N)c(C#N)c2N

Oc1ccccc1-c1cc[nH]n1

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](-[#8])=O

COC(=O)Cc1ccc(NC(=S)NCCCO)cc1

COc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NCc1ccccn1

CC(=O)C(=Cc1ccc(Cl)cc1)C(=O)c1ccccc1 |w:4.4|

CC(Nc1nc(C)cs1)c1nc2cc(ccc2n1CCOCCO)C(F)(F)F

CCCc1c(O)c2ccccc2[nH]c1=O

CSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(N(C)C)c1cccs1

CCN(Cc1ccncc1)C(=O)c1cc(COc2ccc(F)cc2F)on1

COc1ccc(cc1)C(O)c1nc(cs1)-c1ccc2ccccc2c1

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCCO)c1cccc(c1)C#N |t:4,TLB:2:4:11:8.9|

COc1ccc(C=NNC(=O)c2cc(n[nH]2)C(C)(C)C)cc1COc1ccc(F)cc1F |w:7.7|

COc1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cn1

COc1ccc(CCNC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N(C)c2ccccc2)cc1

Cc1c(OCc2ccccc2)c(=O)ccn1-c1ncc(cc1Cl)C(F)(F)F

CC(NCCOCCOc1ccccc1)c1ccccc1

Cc1ccc(cc1)C1(O)CCN2CCCCC12

Cc1ccsc1C(=O)N1CCCC(CO)(Cc2ccccc2F)C1

OC(=O)c1ccccc1\C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl

CCCCC1CCC(CC1)C(=O)NC1CCS(=O)(=O)C1 |(3.08,-7.73,;4.41,-6.96,;4.41,-5.42,;5.75,-4.65,;5.75,-3.11,;7.08,-2.34,;7.08,-.8,;5.75,-.03,;4.41,-.8,;4.41,-2.34,;5.75,1.51,;4.41,2.28,;7.08,2.28,;7.08,3.82,;8.33,4.73,;7.85,6.19,;6.31,6.19,;6.31,7.73,;4.85,6.67,;5.84,4.73,)|

[H]C12CCC([H])(C1)C(CC(=O)OCc1nc(N)nc(Nc3ccccc3C)n1)C2 |TLB:8:7:6:3.2|

Cc1nc(Nc2ccc(cc2)S(N)(=O)=O)oc1C

Cc1ccc(Cl)c(NC(=O)CSc2cccc[n+]2[O-])c1Cl

Cc1nnc(NC(=O)c2ccccc2C(O)=O)s1

Cc1c(CC(O)=O)c(=O)oc2cc(OCc3ccc(F)cc3Cl)ccc12

CC(=O)C(C(N1CCCc2ccccc12)c1ccccc1)N1CCOCC1

Cc1ccc(cc1)S(=O)(=O)N1[C@@H](CC=C([C@@H]1c1ccc(Cl)cc1)C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 |c:14|

[H][C@@]12CC=C3C(CC)=C(OC(=O)N(CC)CC)N4C(=O)O\C(=N/CC(=O)OC)[C@]4(Cc4ccccc4)[C@]3([H])[C@]1([H])C(=O)N(CC(=O)OC)C2=O |t:3,7|

OC(=O)c1cc(NCc2ccc(F)cc2)ccc1N1CCOCC1

OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C/CCCC(=O)OC[C@@H]2CCCN2C1=O |c:17|

[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccccc1C(=O)Nc1ccccc1CC |c:5,TLB:12:7:2:6.5,THB:9:8:2:6.5|

CC1(C)CC(C)(c2ccccc2)c2cccc3\C(C(=O)N1c23)=C1/NC(=S)NC1=O

COC(=O)c1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCCN(C2)S(=O)(=O)c2cccc(Cl)c2)cc1

Nc1ccc(C(=O)Nc2ccc(Nc3ccncc3)cc2)c(c1)[N+]([O-])=O

Cc1cc(ccc1OCC(=O)N1CCOCC1)S(=O)(=O)NC1CCCCC1

CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1

COc1cc(cc(Br)c1OC)C(=O)NCc1ccccc1

COc1ccc(cc1)-c1csc(NC(CO)c2nc3ccccc3n2CCCO)n1

CC1(CCN1Cc1cccc2OCOc12)C(=O)NCc1cccc2ccccc12

Cc1ccc(C(=O)NCCCc2ccccc2)c(C)c1

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1Cc1ccccn1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(CN2CCC(CC2)N2CCOCC2)c1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(CN2CCC(CC2)C(N)=O)c1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1Cc1cn[nH]c1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(CN2CCOCC2)c1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(Cc2cc[nH]n2)c1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1CN1CCCCC1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1CN1CCC(CC1)C(N)=O)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1CN1CCC(CC1)N1CCOCC1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1CN1CCC(CC#N)CC1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(CN2CCCCC2)c1)C(O)=O |r|

CN(C)Cc1cccc(c1)-c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

NCc1ccccc1-c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

NCc1cccc(c1)-c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc2CNCc12)C(O)=O |r|

NCc1ccc(cc1)-c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1Cc1ncc[nH]1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(Cc2ccccn2)c1)C(O)=O |r|

CNC(=O)C1CCN(Cc2cccc(c2)-c2cc3CCOc3c(c2)S(=O)(=O)Nc2ccsc2C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)CC1 |r|

CCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)[C@@H](C)O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1Cc1cc[nH]n1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(Cc2cn[nH]c2)c1)C(O)=O |r|

CNC(=O)C1CCN(Cc2ccccc2-c2cc3CCOc3c(c2)S(=O)(=O)Nc2ccsc2C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)CC1 |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(CN2CCC(CC#N)CC2)c1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccc2CNCc2c1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(Cc2ncc[nH]2)c1)C(O)=O |r|

[#7]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=O |r|

[#7]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=O |r|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|

[#7]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=O |r|

[#7]-[#6](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=O |r|

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=O |r|

[#7]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=O |r|

NCC[C@@H](NC(=O)[C@@H](N)CCCCNC(=O)NC[C@@H](N)CCCNC(N)=N)C(=O)N1[C@@H](CC2CCCCC12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

NCC[C@@H](NC(=O)[C@@H](N)CCCCNC(=O)NC[C@@H](N)CCCNC(N)=N)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

NCC[C@@H](NC(=O)[C@@H](N)CCCCNC(=O)NC[C@@H](N)CCCNC(N)=N)C(=O)N1C=CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,c:30|

N[C@@H](CCCNC(N)=N)CNC(=O)NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)O[C@H]2CNS(=O)(=O)c1ccccc1 |r|

[H][C@@]1(COC(C)(C)O1)[C@]1([H])O\C(=C/C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)[C@]2([H])OC(C)(C)O[C@]12[H] |r|

[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)O[C@@H]2CNS(=O)(=O)c1ccccc1 |r|

[H][C@@]1(COC(C)(C)O1)[C@]1([H])O[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)[C@]2([H])OC(C)(C)O[C@]12[H] |r|

[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)O[C@@H]2CNS(=O)(=O)c1ccc(CN)cc1 |r|

[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](CC(=O)NCCc1c[nH]c3ccccc13)O[C@H]2CN(CCCCCNC(N)=N)C(N)=N |r|

[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)O[C@@H]2CNS(=O)(=O)c1ccc(cc1)-c1cn(CCO[C@@H]2O[C@H](CF)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|

CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)s1

CCc1nnc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2cccc(C)c2)s1

CCc1nnc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2-c2cccc(C)c2)s1

Cc1ccc(cc1NC(=S)NC(=O)c1ccc2OCCOc2c1)-c1nc2ccccc2[nH]1

FC(F)(F)Oc1ccc(cc1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

Sc1ccccc1-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N |(-2.68,-18.55,;-1.91,-19.88,;-.37,-19.87,;.41,-21.21,;-.37,-22.54,;-1.9,-22.54,;-2.66,-21.2,;-4.2,-21.21,;-5.11,-22.45,;-4.63,-23.92,;-3.13,-24.24,;-2.65,-25.7,;-1.14,-26.02,;-.67,-27.49,;.83,-27.81,;1.86,-26.66,;1.38,-25.19,;-.12,-24.88,;-6.57,-21.98,;-7.9,-22.74,;-7.9,-24.28,;-9.23,-21.97,;-9.23,-20.43,;-7.9,-19.66,;-6.57,-20.43,;-5.11,-19.96,;-4.63,-18.49,;-4.15,-17.03,)|

Clc1ccccc1-c1c(C#N)c2cccc(Cl)n2c1NCCc1ccccc1 |(10.98,-7.54,;11.76,-8.87,;13.29,-8.87,;14.07,-10.2,;13.3,-11.54,;11.76,-11.54,;11,-10.2,;9.46,-10.2,;8.56,-8.95,;9.03,-7.49,;9.51,-6.03,;7.09,-9.43,;5.76,-8.65,;4.43,-9.43,;4.43,-10.97,;5.76,-11.73,;5.76,-13.27,;7.09,-10.97,;8.56,-11.45,;9.03,-12.91,;10.54,-13.23,;11.02,-14.7,;12.52,-15.02,;12.99,-16.48,;14.5,-16.8,;15.53,-15.66,;15.05,-14.19,;13.54,-13.87,)|

Clc1cccc2c(C#N)c(c(NCCc3ccccc3)n12)-c1ccccc1

Clc1ccc(cc1)-c1c(C#N)c2cccc(Cl)n2c1NCCc1ccccc1

COc1ccccc1-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N |(-1.89,-6.21,;-2.65,-7.54,;-1.88,-8.87,;-.34,-8.87,;.44,-10.2,;-.33,-11.54,;-1.87,-11.54,;-2.63,-10.2,;-4.17,-10.2,;-5.08,-11.45,;-4.6,-12.91,;-3.09,-13.23,;-2.62,-14.69,;-1.11,-15.02,;-.64,-16.48,;.86,-16.8,;1.9,-15.66,;1.41,-14.18,;-.09,-13.87,;-6.54,-10.97,;-7.87,-11.73,;-7.87,-13.27,;-9.2,-10.97,;-9.2,-9.43,;-7.87,-8.65,;-6.54,-9.43,;-5.08,-8.95,;-4.6,-7.49,;-4.12,-6.03,)|

CSc1ccc(cc1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

COc1ccc(cc1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

Clc1cccc2c(C#N)c(c(NCCc3ccccc3)n12)-c1ccccn1

Fc1ccc(cc1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

CN(C)CCNc1cccc2c(C#N)c(c(NC3CCCCC3)n12)-c1ccccc1

Cc1cnc(s1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

Clc1cccc2c(C#N)c(c(NCCc3ccccc3)n12)-c1cccnc1

NCCNc1c(c(C#N)c2cccc(Cl)n12)-c1ccccc1

CN(C)CCCNc1c(c(C#N)c2cccc(Cl)n12)-c1ccccc1

Clc1cccc(c1)-c1c(C#N)c2cccc(Cl)n2c1NCCc1ccccc1

Clc1ccccc1CCNc1c(c(C#N)c2cccc(Cl)n12)-c1ccccc1

Sc1cccc(c1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

CN(CCNc1c(c(C#N)c2cccc(Cl)n12)-c1ccccc1)Cc1ccccc1

Cc1ccccc1-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N |(11.82,-18.37,;12.6,-19.7,;14.13,-19.69,;14.91,-21.03,;14.14,-22.36,;12.6,-22.36,;11.84,-21.02,;10.3,-21.02,;9.4,-22.27,;9.87,-23.74,;11.38,-24.06,;11.86,-25.52,;13.36,-25.84,;13.83,-27.31,;15.34,-27.63,;16.37,-26.48,;15.89,-25.01,;14.38,-24.7,;7.93,-21.8,;6.6,-22.56,;6.6,-24.1,;5.27,-21.79,;5.27,-20.25,;6.6,-19.48,;7.93,-20.25,;9.4,-19.78,;9.87,-18.31,;10.35,-16.85,)|

Nc1cccc(Nc2c(c(C#N)c3cccc(Cl)n23)-c2ccccc2)c1

CN(C)c1ccc(Nc2c(c(C#N)c3cccc(Cl)n23)-c2ccccc2)cc1

CC(C)(C)c1ccc(cc1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

Fc1ccccc1-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N |(25.38,-7.61,;26.16,-8.94,;27.69,-8.93,;28.47,-10.27,;27.7,-11.6,;26.16,-11.6,;25.4,-10.26,;23.86,-10.26,;22.96,-11.51,;23.43,-12.97,;24.94,-13.29,;25.41,-14.76,;26.92,-15.08,;27.39,-16.54,;28.9,-16.86,;29.93,-15.72,;29.45,-14.25,;27.94,-13.93,;21.49,-11.03,;20.16,-11.79,;20.16,-13.33,;18.83,-11.03,;18.83,-9.49,;20.16,-8.71,;21.49,-9.49,;22.96,-9.01,;23.43,-7.55,;23.91,-6.09,)|

Clc1cccc2c(C#N)c(c(NC3CCCCC3)n12)-c1ccccc1

Clc1ccc(CNc2c(c(C#N)c3cccc(Cl)n23)-c2ccccc2)cc1Cl

CN(C)CCCOc1cccc2c(C#N)c(c(NC3CCCCC3)n12)-c1ccccc1

COCCNc1c(c(C#N)c2cccc(Cl)n12)-c1ccccc1

OCCc1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

Clc1cccc2c(C#N)c(c(NCCc3ccccc3)n12)-c1ccncc1

COc1cccc(c1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

Clc1ccc(CCNc2c(c(C#N)c3cccc(Cl)n23)-c2ccccc2)cc1

CN(C)CCCOc1ccc(cc1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

Cc1ccc(C)c(c1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N |(14.97,-35.83,;14.2,-34.49,;14.97,-33.16,;14.19,-31.82,;12.65,-31.83,;11.88,-30.5,;11.9,-33.15,;12.66,-34.49,;10.36,-33.15,;9.45,-34.4,;9.93,-35.87,;11.44,-36.19,;11.91,-37.65,;13.42,-37.97,;13.89,-39.44,;15.39,-39.76,;16.43,-38.61,;15.94,-37.14,;14.44,-36.83,;7.99,-33.92,;6.66,-34.68,;6.66,-36.22,;5.33,-33.92,;5.33,-32.38,;6.66,-31.6,;7.99,-32.38,;9.45,-31.91,;9.93,-30.44,;10.41,-28.98,)|

Fc1cccc(c1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

Clc1cccc2c(C#N)c(C3CCNCC3)c(NCCc3ccccc3)n12

Cc1ccc(cc1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N

Clc1cccc2c(C#N)c(CCc3ccccc3)c(NCCc3ccccc3)n12

Cc1cccc(C)c1Nc1c(c(C#N)c2cccc(Cl)n12)-c1ccccc1

Clc1cccc2c(C#N)c(c(NCC(=O)NCc3ccco3)n12)-c1ccccc1

Fc1ccc(-c2c(NCCc3ccccc3)n3c(Cl)cccc3c2C#N)c2ccccc12 |(1.47,1.99,;-.07,1.99,;-.84,.65,;-2.38,.65,;-3.14,1.99,;-4.68,1.99,;-5.58,.74,;-5.11,-.72,;-3.6,-1.04,;-3.13,-2.51,;-1.62,-2.83,;-1.15,-4.29,;.36,-4.61,;1.39,-3.47,;.91,-2,;-.6,-1.68,;-7.05,1.22,;-8.38,.46,;-8.38,-1.08,;-9.71,1.22,;-9.71,2.76,;-8.38,3.54,;-7.05,2.76,;-5.58,3.24,;-5.11,4.7,;-4.63,6.16,;-2.38,3.32,;-3.15,4.64,;-2.39,5.97,;-.85,5.98,;-.08,4.65,;-.84,3.32,)|

Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(Nc2ccccc2)n1

CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CN)CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CN)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC1=O

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CN)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC1=O

CSCC[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)O

[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1ccc(-[#7])cc1)-[#6](-[#8])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc(-[#7])c1)-[#6](-[#8])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1ccccc1-[#7])-[#6](-[#8])=O |r|

[#6]-[#6](=O)-[#7]-c1ccc(cc1)S(=O)(=O)[#7]-c1ccsc1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1ccc(cc1)-[#7+](-[#8-])=O)-[#6](-[#8])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1ccccc1-[#7+](-[#8-])=O)-[#6](-[#8])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1ccc(F)cc1F)-[#6](-[#8])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nonc12)-[#6](-[#8])=O |r|

[#6]-c1nc(cn1-[#6])S(=O)(=O)[#7]-c1ccsc1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|

[#6]-c1nn(-[#6])c(Cl)c1-[#6]-[#7]-c1cccc(c1)S(=O)(=O)[#7]-c1ccsc1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|

CC1(C)O[C@@H]2[C@H](CN(CCN=C(N)N)C(N)=N)O[C@H](CC(=O)NCCc3c[nH]c4ccccc34)[C@@H]2O1 |r,wD:4.3,34.37,18.18,5.5,(1.61,-4.65,;.85,-3.31,;.08,-4.65,;-.39,-2.41,;.08,-.95,;-.39,.53,;-1.86,1.01,;-3.2,.25,;-3.21,-1.29,;-4.54,-2.06,;-4.55,-3.6,;-5.89,-4.36,;-5.9,-5.9,;-7.22,-3.58,;-4.53,1.02,;-4.52,2.56,;-5.86,.26,;.86,1.44,;2.11,.53,;3.47,1.25,;4.79,.44,;4.74,-1.11,;6.14,1.16,;7.45,.34,;8.81,1.07,;10.12,.25,;10.22,-1.28,;11.72,-1.65,;12.52,-.34,;14.03,-.08,;14.56,1.36,;13.57,2.54,;12.06,2.27,;11.54,.83,;1.63,-.95,;2.11,-2.41,)|

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCCCCNC(=O)c1ccc(cc1)-c1c2CCc(n2)c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2ccc1[nH]2)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

CCOc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl

COc1cc(CNCCO)cc(Cl)c1OCc1ccc(Cl)cc1Cl

COc1cc(CNC(C)c2ccccc2)cc(Br)c1OCc1ccccc1Cl

CCOc1cc(CNCCO)cc(Br)c1OCc1ccc(Cl)cc1Cl

[H][C@@]12CCCN1C(=O)[C@@H](N)CCCCNC(=O)CC[C@H](NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)CCCCNC(=O)CC[C@H](NC(=O)[C@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

N[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|