Compound Name

SMILES String

CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2F)cc1

COc1cc(Br)cc2cc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c(=O)oc12

Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12

C=CCN1C(=O)\C(=N/NC(=O)CNC(=O)\C=C\c2ccco2)c2ccccc12

CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:8.8,1.0|

Oc1ccc(cc1O)-c1cn2CCSc2n1

COc1cc(\C=N\NC(=O)COc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1

CNC(=S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O

CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O

CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O

Clc1cccc(Cn2cccc(C(=O)NNC(=S)NCC=C)c2=O)c1

COc1cc(OC)cc(c1)C(=O)N\N=C\c1ccc(OC)c(COc2ccc3ccccc3c2)c1

Fc1ccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1

Oc1c(ccc2ccccc12)C(=O)NNC(=O)c1ccccc1Cl

Oc1c(Br)cc(Br)cc1C=NNC(=O)CP(=O)(c1ccccc1)c1ccccc1 |w:10.11|

[O-][N+](=O)c1cc([N+]([O-])=O)c(=O)[c-](\C=[NH+]\NC(=O)C(\NC(=O)c2ccccc2)=C/c2cccs2)c1

Oc1ccccc1C(=O)NNC(=O)CCCN1C(=S)S\C(=C/c2cccs2)C1=O

Oc1ccccc1C(=O)NNC(=O)CN1C(=O)S\C(=C/c2ccccc2)C1=O

Oc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1

Oc1ccc(CN=Nc2ncnc3n(Cc4ccccc4)cnc23)cc1O |w:7.7|

COc1ccc(\C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC

COc1ccc(\C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1

CC1=CC(\C=N\n2c(COc3ccccc3C)nc3ccccc3c2=O)C(=O)C(=C1)[N+]([O-])=O |c:31,t:1|

Oc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1

Cc1cc(C(=O)N\[NH+]=C\[c-]2cc(Br)cc([N+]([O-])=O)c2=O)c2ccccc2n1

Cc1cc(C(=O)N\[NH+]=C\[c-]2cc(Cl)cc([N+]([O-])=O)c2=O)c2ccccc2n1

Cc1ccccc1C(=O)NNC(=S)NC(=O)c1cccnc1

COc1ccc(cc1OC)-c1cnnn1-c1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)cc1

CC(=O)c1ccc(NC(=O)CN2C(=S)SC(=CC(C)=Cc3ccccc3)C2=O)cc1 |w:16.16,19.19|

Cc1ccc(s1)C(=O)Nc1nc(cs1)C(C)(C)C

COc1ccc(\C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1CN1CCN(CC1)c1ccc(F)cc1

COCCn1c2ccc(cc2s\c1=N/C(=O)c1cc(nc2ccccc12)-c1cccs1)S(N)(=O)=O

CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1cc(nc2ccccc12)-c1cccs1)S(N)(=O)=O

Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(ccc2=O)[N+]([O-])=O)s1

Cc1cc(=O)oc2cc(OCC(=O)N\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)ccc12

[O-][N+](=O)c1ccc[c-](\C=[NH+]\NC(=O)c2cccs2)c1=O

COC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1cc(nc2ccccc12)-c1cccs1)S(N)(=O)=O

[O-][N+](=O)C1=CC(\C=N\n2c(COc3ccccc3)nc3ccccc3c2=O)C(=O)C=C1 |c:32,t:3|

[H]C12CC(C)(CN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1)CC(C)(C)C2 |TLB:7:6:2:35.34.38|

[O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)C(\NC(=O)c2ccccc2)=C/c2cccs2)c1

Cc1ccc(cc1)-n1c(O)c(C=NNC(=O)C2COc3ccccc3O2)c2ccccc2c1=O |w:12.13|

COC(=O)c1cc(O)c(O)c(O)c1

Cc1cccc(n1)-n1c(O)c(C=NNC(=O)c2ccccc2Cl)c2ccccc2c1=O |w:12.13|

CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)c1

Oc1ccc(C=NNC(=O)CCc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(O)c1O |w:6.6|

CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)OC(C(=O)Nc1cccc(c1)C(C)=O)c1ccccc1

Fc1ccc(cc1Cl)-n1c(SCC(=O)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)nc2ccccc2c1=O

Oc1ccc(Br)cc1C=NNC(=O)c1cccc(c1)N1CCCC1=O |w:9.10|

Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6|

Oc1ccc(C=NNC(=O)CCN2CCN(CC2)c2ccccc2)c(O)c1O |w:6.6|

Oc1ccccc1C(=O)NNC(=S)NC(=O)c1cccnc1

COc1ccc2nc(C)cc(SCC(=O)NN=Cc3ccc(O)c(O)c3)c2c1 |w:16.15|

CCc1n[nH]c(=S)n1[NH+]=C[c-]1cc(OC)cc([N+]([O-])=O)c1=O |w:8.8|

COc1ccc(cc1OC)C(=O)NNC(=S)NC(=O)c1ccc(Br)o1

CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccco1

CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O

COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1

Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1O |w:13.14|

Cc1cc2cc(CNC(=O)c3ccc(C)c(c3)[N+]([O-])=O)ccc2[nH]1

COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccnc1

NC(=O)CCC1NC(=S)N(Cc2ccccc2)C1=O

[#6]\[#6](-[#7]-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O

CC(=O)NNC(=S)NC(=O)c1ccc(C)cc1

COCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

NNC(=O)c1nc[nH]c1C(=O)Nc1ccccn1

[O-][N+](=O)C1=CC=CC(\C=N\n2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)C1=O |c:5,t:3|

CNC(=S)NNC(=O)c1cccn(Cc2ccccc2)c1=O

[O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)o1 |w:7.6,9.8,c:13|

COc1ccc([CH+][N-]NC(=O)c2cc(O)c(O)c(O)c2)cc1Cn1cc(cn1)[N+]([O-])=O

Oc1cc2oc3c(c2cc1O)c(=O)oc1ccccc31

Oc1c(Br)cc(Br)cc1C=NNC(=O)CNC(=O)c1cccc(Br)c1 |w:10.11|

COc1cc(=O)[c-](\C=[NH+]\NC(=O)c2ccncc2)c(OC)c1[N+]([O-])=O

CC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(cc1)[N+]([O-])=O |w:2.2|

OCc1cc(CO)c(O)c(=O)c(CO)c1

CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)NC(=O)c1ccccc1

Oc1ccccc1C(=O)NNC(=S)NC1CCCCC1

OCC1OC(C(O)C(O)C1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1

OCC1OC(OC(CCc2ccccc2)CC(O)=O)C(O)C(O)C1O

OC(=O)c1ccccc1\C=N\NC(=O)c1cc(nc2ccccc12)-c1ccco1

O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCC1)c1cc(nc2ccccc12)-c1ccco1 |t:14|

Oc1ccc(C=NNC2=c3ccccc3=NC2=O)cc1O |w:6.6,c:8,15|

C[C+]([N-]OCc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(C)cc([N+]([O-])=O)c1=O)c1ccccc1

Cc1cc(C)c2c(N)c(sc2n1)C(=O)NN

[O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)CSc2nc3ccccc3s2)c1

COc1cc(c[c-](\C=[NH+]\NC(=O)c2cc(C)nc3ccccc23)c1=O)[N+]([O-])=O

CCC(NNC(=O)c1ccccc1O)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:14.30|

Cc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(cc(C)c1=O)[N+]([O-])=O

Cc1cc(c[c-](\C=[NH+]\NC(=O)C2COc3ccccc3O2)c1=O)[N+]([O-])=O

CC1=NN(C(=O)c2ccccc2)C(O)(C1)c1ccc(Br)cc1 |t:1|

CCCCCC(=O)NC(=S)NC1C2CC3CC(C2)CC1C3 |TLB:10:11:13:16.17.15,THB:10:11:14.13.20:16.17.18,18:19:13:16.17.15,18:16:13:19.11.20,15:16:11:14.13.20|

Cc1cc([nH]n1)C(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O |w:9.9|

Fc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccnc1

Oc1cc2cccc(=O)c(O)c2c(O)c1O

O=C(NNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O)c1ccccc1 |w:4.3|

Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1

O=C(Cc1ccccc1)NNC(=S)NC(=O)c1cccnc1

O=C1N(C(=S)S\C1=C/c1ccco1)c1cccnc1

Oc1ccccc1N=Cc1c(O)n(-c2nccs2)c(=O)c2ccccc12 |w:7.7|

Cc1c(NC(=S)N[NH+]=C[c-]2cc(ccc2=O)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C |w:7.6|

Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1 |w:7.7|

Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1 |w:7.7|

Oc1c(C(=O)NNC(=O)CCl)c(=O)[nH]c2ccccc12

Cc1nnc(SC(=Cc2ccc(OCc3ccc(cc3)C(O)=O)cc2)C(O)=O)[nH]1 |w:7.7|

Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O

Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O |w:11.11|

[O-][N+](=O)c1ccc(=O)[c-](C=[NH+]NC(=S)Nc2ccc(Cl)cc2Cl)c1 |w:10.10|

Cc1ccc(cc1)-c1nc2cc(ccc2c(O)c1O)C(=O)NCCCn1ccnc1

Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1

Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O |w:11.11|

[H]C12C[C@H](NC(=S)NN=Cc3cc(Br)cc(Br)c3O)C([H])(C1)C=C2 |w:8.7,c:24,THB:4:3:21:22.23|

CNC(=S)NNC(=O)c1oc2nc(cc(-c3ccco3)c2c1N)-c1ccccc1

Nc1ccc(cc1C(=O)NNC(=O)c1ccco1)[N+]([O-])=O

Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O

COc1cccc(c1)C(=O)NNC(=O)c1ccc2ccccc2c1O

Oc1c(Cl)cc(Br)cc1C=NNC(=O)c1ccc2OCOc2c1 |w:10.11|

COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccc(c1)[N+]([O-])=O

Cc1nc2ccccc2c(=O)n1N=Cc1cc(Br)cc(Br)c1O |w:12.13|

Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2ccccc2c1O

Cc1cc(Br)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:8.8|

COc1ccc(cc1)C(=O)CC=NNC(=O)c1ccc(Cl)cc1 |w:12.13|

[O-][N+](=O)c1cc(Cl)c[c-](\C=[NH+]\NC(=O)c2ccc3OCOc3c2)c1=O

Cc1ccc(cc1)C(=O)NNC(=O)c1cc2ccccc2cc1O

CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ncccc2O)c1=O

Oc1ccc(C=NN=Cc2ccc(O)c(O)c2)cc1O |w:6.6,8.8|

CCC1=NN(C(=O)c2cccc(c2)[N+]([O-])=O)C(O)(C1)c1ccc(C)cc1 |t:2|

Oc1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1O |w:6.6|

Cc1ccc2nc(cn2c1)-c1ccc(O)c(O)c1

Cc1cc2oc3ccc(NCCCn4ccnc4)cc3c(=O)c2cc1C

COc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)cc2O)s1 |w:19.19|

Cc1ccn2cc(nc2c1)-c1ccc(O)c(O)c1

Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccc(c1)[N+]([O-])=O

Oc1c(Br)cc(Br)cc1C=NNC(=O)Cc1ccccc1 |w:10.11|

COc1ccc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)cc1

ONc1nc(CC(=O)c2ccccc2)c(=O)[nH]c1N=O

Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O

COC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O

Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccnc1

CC1CCCC(C)N1N=Cc1ccc(O)c(O)c1 |w:8.8|

O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1 |w:3.2,14.14,t:5,17|

CNC(=S)NNC(=O)c1cccn(Cc2cccc(c2)C(F)(F)F)c1=O

Oc1c(ccc2ccccc12)C(=O)NNC(=O)c1cccs1

CCC(=O)Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O

CC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(O)cc1O |w:2.2|

COc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)NNC(=O)c1ccc(O)cc1

Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O

CCOC(=O)c1c(C)[nH]c(C(=O)N\[NH+]=C\[c-]2cc(ccc2=O)[N+]([O-])=O)c1C

COc1ccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c(OC)c1

CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccccc1O |w:2.2|

COc1cccc(\C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)c1

CN1C(=O)C(C=NNC(=O)c2cc3ccccc3cc2O)c2ccccc12 |w:6.6|

[O-][N+](=O)c1cc(Br)c(=O)[c-](\C=[NH+]\NC(=O)CNC(=O)c2ccccc2Br)c1

NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1

Cn1c(SCC(=O)NNC(=O)c2ccccc2O)nnc1-c1ccccc1

Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2F)c1=O

Oc1c(C(=O)NNC(=O)c2ccccc2)c(=O)[nH]c2ccccc12

Cc1ccc(\C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1

COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1

[O-][N+](=O)c1ccc(=O)[c-](C=[NH+]NC(=O)C(NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c1 |w:10.10|

Oc1ccccc1C(=O)NNC(=O)CCN1C(=S)S\C(=C\c2ccccc2)C1=O

Cc1ccc(O)c(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1 |w:8.8|

Cc1c(CC(=O)N2CCN(CC2)C(=O)C2COc3ccccc3O2)c(=O)oc2c(O)c(O)ccc12

[O-]c1ccccc1C(=O)NN=Cc1sc(=O)[nH]c1-[n+]1ccc2ccccc2c1 |w:10.10|

[O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)c2cccc(c2)N2CCCC2=O)c1

CC(=O)NC(CC(=O)NNC(=O)c1cc2ccccc2cc1O)c1ccccc1

COc1cc2ccccc2cc1C(=O)NNC(=O)c1ccccc1O

Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1

Oc1cc(O)cc(c1)C(=O)N\N=C\c1cn(Cc2cccc(F)c2)c2ccccc12

Oc1c(ccc2ccccc12)C(=O)NNC(=O)NC1CCCCC1

Cc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1O

COc1cccc(OCC(=O)NNC(=O)c2ccc3ccccc3c2O)c1

COc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1

COc1ccccc1NC(=O)NNC(=O)c1cc2ccccc2cc1O

Oc1cc2ccccc2cc1C(=O)NNC(=O)Nc1ccc(F)cc1F

CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1ccccc1O)c1ccccc1 |w:17.18|

COC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O

Oc1c(ccc2ccccc12)C(=O)NNC(=O)Nc1ccc(F)cc1

CCc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)cc1

COc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)cc1OC

CCOc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)cc1

Oc1cc(O)cc(c1)C(=O)N\N=C\c1ccoc1

CCc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1O

COc1ccc(C)cc1NC(=O)NNC(=O)c1cc2ccccc2cc1O

COc1cc(\C=N\NC(=O)c2cc(O)cc(O)c2)ccc1OC(=O)c1ccccc1

Oc1ccccc1C(=O)NNC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1

Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1

O=C(NNC(=S)NC(=O)c1ccccc1)c1cccs1

Cc1cc(C)c(cc1C)-c1cc(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)n(n1)-c1ccccc1

Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)c1ccccc1O

CCOc1ccc(cc1)C(=O)CCC(=O)NNC(=O)c1ccccc1O

CC(C)(C)c1ccc(cc1)C(=O)NCC(=O)NNC(=O)c1ccccc1O

CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1

Fc1ccccc1C(=O)NNC(=O)c1cccc(c1)-n1cccc1

Brc1ccc(C=CC(=O)OCC(=O)c2ccc3OCC(=O)Nc3c2)o1 |w:5.4|

Oc1ccccc1C(=O)NNC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F

Cc1noc(C)c1COc1ccc(cc1)C(=O)NNC(=O)c1ccccc1O

Oc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1

Cc1cccc(c1)C(=O)NCC(=O)NNC(=O)c1ccccc1O

Oc1ccccc1C(=O)NNC(=O)CCNC(=O)c1ccc(Br)cc1

Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)c1ccccc1O

Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)c1ccccc1O

Oc1ccccc1C(=O)NNC(=O)CNC(=O)c1ccccc1F

Oc1ccccc1C(=O)NNC(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O

COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccccc1O

Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1

OC(=O)c1ccccc1NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2)c(c1)[N+]([O-])=O |w:17.17|

Oc1ccc(cc1O)-c1cc(=O)c2c(ccc3ccccc23)o1

[O-][N+](=O)c1cc(Cl)c[c-](\C=[NH+]\NC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1=O

Cc1ccc(OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(n1)[N+]([O-])=O

Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1

COC(=O)C1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccco1

Oc1c(Br)cc(cc1CN=Nc1nnnn1-c1cccc2ccccc12)[N+]([O-])=O |w:10.11|

CCOc1ccc(Nc2ccc(N)c(c2)S(O)(=O)=O)cc1

CCOC(=O)C1C(CC)=Nc2ccccc2N=C1NC(=O)Nc1ccc(Cl)c(Cl)c1 |c:8,17|

COc1ccc(NS(=O)(=O)c2cc(NC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)ccc2N2CCCCC2)cc1

Cc1ccccc1C(=O)Nc1cccc(c1)C(=O)N\[NH+]=C\[c-]1cc(Cl)cc([N+]([O-])=O)c1=O

CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC

Cc1ccc(O)c(c1)-c1cc([nH]n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccc(C)n1

c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O

[O-][N+](=O)c1cc(Cl)c[c-](C=[NH+]NC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c1=O |w:10.10|

Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1

O=C1NC(=S)NC1=Cc1ccco1

CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12

Oc1ccccc1C(=O)NNC(=O)c1ccccc1O

Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12 |w:4.3|

OCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Cl |c:16|

COC(=O)CC1(Nc2cc(Cl)c(Cl)cc2S(=O)(=O)N1O)C(=O)OC

Cc1c(oc2ccccc12)C(=O)NNC(=O)c1ccccc1O

OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O

c1coc(c1)-c1ccc2nncn2c1

COc1ccccc1C(=O)NNC(=O)c1ccc2ccccc2c1O

Cc1onc(c1C(=O)NN=Cc1cc(Cl)cc(Cl)c1O)-c1ccccc1 |w:9.9|

CC(C)c1c(O)c(O)c(C=O)c2ccc(C)cc12

CC(C)c1c(O)c(O)c(C(C)=N)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C(C)=N)c2c1O |(13.39,-9.47,;14.7,-8.7,;16.05,-9.47,;14.7,-7.16,;16.05,-6.39,;17.4,-7.16,;16.02,-4.84,;17.36,-4.07,;14.7,-4.08,;14.67,-2.54,;13.35,-1.78,;16.02,-1.76,;13.35,-4.85,;12.04,-4.08,;12.04,-2.54,;10.69,-4.88,;10.69,-6.42,;9.38,-7.19,;12.04,-7.19,;13.35,-6.39,;5.53,-4.92,;5.53,-6.46,;6.88,-7.23,;4.21,-7.25,;2.87,-6.48,;1.52,-7.26,;1.55,-8.8,;2.87,-9.57,;.2,-9.57,;.2,-6.49,;-1.14,-7.26,;.2,-4.94,;-1.14,-4.17,;1.52,-4.17,;1.52,-2.63,;2.87,-1.86,;.17,-1.87,;2.87,-4.94,;4.18,-4.15,;4.18,-2.61,)|

CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12

CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1cc2c(C(O)=O)c(O)c(O)c(C(C)C)c2cc1C

CC(C)c1c(O)c(O)c(C(O)=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C(O)=O)c2c1O |(15.33,-8.22,;16.66,-7.45,;18.01,-8.22,;16.66,-5.91,;18,-5.13,;19.34,-5.91,;17.98,-3.57,;19.32,-2.8,;16.65,-2.82,;16.63,-1.28,;15.3,-.52,;17.96,-.49,;15.31,-3.6,;13.99,-2.83,;14,-1.29,;12.65,-3.6,;12.65,-5.14,;11.32,-5.91,;13.99,-5.91,;15.31,-5.14,;7.49,-3.66,;7.49,-5.21,;8.83,-5.98,;6.16,-5.98,;4.82,-5.21,;3.48,-6,;3.5,-7.54,;4.82,-8.31,;2.16,-8.31,;2.16,-5.23,;.81,-6,;2.16,-3.69,;.81,-2.9,;3.48,-2.9,;3.48,-1.36,;4.81,-.59,;2.13,-.61,;4.82,-3.67,;6.14,-2.9,;6.14,-1.36,)|

CC(C)c1c(O)c(O)c(C=O)c2cc(c(C)cc12)-c1cc2c(C=O)c(O)c(O)c(C(C)C)c2cc1C

FC(F)(F)C1(Br)N=N1 |c:6|

FC(Cl)C(F)(F)C1(F)N=N1 |c:8|

FC(F)(C(Cl)Br)C1N=N1 |c:7|

FC(F)(N=[N+]=[N-])C(Cl)Br

FC(Cl)C(F)(F)C1(Br)N=N1 |c:8|

FC(F)(F)[CH-][N+]#N

[C@@H](C(F)(F)F)(Cl)Br

CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1

CNC(C)[C@H]1CCC(N)[C@@H](O[C@@H]2C(N)C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)O1

CNC(C)[C@H]1CCC(N)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1

CC(C)c1csc(C=Cc2ccn3c(c2)ncc(-c2nnn[nH]2)c3=O)n1 |w:7.6|

CC(C)c1csc(COc2ccn3c(c2)ncc(-c2nnn[nH]2)c3=O)n1

CC(C)c1csc(CCc2ccn3c(c2)ncc(-c2nnn[nH]2)c3=O)n1

CC(C)c1csc(\C=C\c2cccc(NC(=O)Cc3ccccc3C(O)=O)c2)n1

[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.NC(=[NH2+])NCCCCCCCC[NH2+]CCCCCCCCNC(=[NH2+])NCC1CC1

c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O

Cc1ccccc1-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O

Cc1ccccc1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CCN6CCOCC6

OCCCc1c([nH]c2ccccc12)C(O)=O

Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-7.41,-13.93,;-6.18,-13.93,;-5.27,-15.18,;-3.8,-14.7,;-2.8,-15.42,;-3.8,-13.16,;-2.81,-12.42,;-5.26,-12.7,;-5.75,-11.24,;-7.28,-10.92,;-7.77,-9.46,;-6.73,-8.28,;-5.22,-8.61,;-3.98,-7.73,;-3.99,-6.18,;-2.65,-5.41,;-2.66,-3.86,;-1.33,-3.08,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.58,;-1.29,-8.07,;-.35,-8.87,;-1.06,-6.85,;-3.2,-10.06,;-2.28,-11.29,;-.75,-11.11,;.17,-12.35,;1.71,-12.18,;2.63,-13.42,;2.01,-14.83,;.48,-15.01,;-.44,-13.77,;-4.74,-10.07,)|

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 |r|

COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O

[H][C@]12CCCCN1C(=O)[C@]([H])(NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc3cc(c1)C(=O)NC[C@]([H])(NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc4ccccc4c1)NC2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CNC3=O)C(=O)N[C@@H](CCCCN)C(O)=O)[C@H](C)O

CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl

CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC

CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O

CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl

COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1

CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F

Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1

c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N

CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1

CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O

CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC

CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F

CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F

[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12

CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl

c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F

COCCOCCCSc1ccc(cn1)C(=O)Nc1ccc(cc1C(O)=O)C#N

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O

C[N+](C)(C)CCO.[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)N[C@H](C)C([O-])=O)C(C)=C |r|

CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)N[C@H](C)C([O-])=O)C(C)=C |r|

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O)C(C)=C |r|

C[N+](C)(C)CCO.[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O)C(C)=C |r|

c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4

c1nc2c(n1[C@H]3CC[C@H](O3)CO)N=CNC2=O

C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F

C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N

Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |r,c:9|

Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r|

Cn1c(\C=C\c2ccc(cc2C(O)=O)C#N)cc2ccccc12

OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1

OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1

Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c(c1)C(O)=O

COc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c(c1)C(O)=O

OC(=O)c1cc(ccc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)C#N

OC(=O)c1cc(F)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1

OC(=O)c1cc(ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)[N+]([O-])=O

OC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1

Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NC2CC2)c1)C(O)=O

Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O

OC(=O)CCCCCOc1ccc(\C=C\c2cc(O)cc(O)c2)cc1

NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NC(CCCCNC(=O)CCCc2ccc(I)cc2)C(O)=O)s1

OS(=O)(=O)Oc1c[nH]c2ccccc12

Clc1ccccc1N1CN(N=C(N2CCCC2)C1=O)c1ccccc1 |t:11|

Clc1ccc(cc1)N1CN(C(=O)C(=N1)N1CCCC1)c1ccccc1Cl |c:13|

CN(C)C1=NN(CN(C1=O)c1ccccc1Cl)c1ccc(Cl)cc1 |t:3|

CN(C)C1=NN(CN(C1=O)c1ccccc1Cl)c1ccccc1 |t:3|

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1

COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c2c1O |r|

COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](COC(=O)c4cccc(O)c4O)O[C@H]3c2c1O |r|

COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](COC(=O)c4cc(O)c(O)c(O)c4)O[C@H]3c2c1O |r|

OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F

Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O

CCN(CC)c1ccc2nc3c(cc(=O)c4ccc(OCCCC(O)=O)cc34)oc2c1

CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12)C(O)=O)S(O)(=O)=O |r,c:16|

CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O |r,c:16|

OC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1

C[C@H]1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O

COc1ccc(OC)c(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)c1

CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 |r|

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35|

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|

CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O

CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:16|

CCCCCCCCCCCCC(=O)c1cccc(c1)C(O)=O

CCCCCCCCCCCCCC(=O)c1c(O)cccc1OC

CCCCCCCCCCCCCC(=O)c1c(O)cccc1O

Oc1cccc(O)c1C(=O)CCCCCCCCc1ccccc1

COc1cccc(O)c1C(=O)CCCCCCCCc1ccc(O)cc1

Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1

Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O

OC[C@H](O)[C@H]1OC(=O)C(=O)C1O |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N[C@@H](CCCCN)C(=O)NCCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r,c:87,90,92,142,145,147,t:84,139|

CC(C)[C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC

COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O

CC(C)NC[C@@H](COc1cccc2c1cccc2)O

OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O |t:2|

c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl

CNCCCN1c2ccccc2CCc3c1cccc3

[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@H](-[#8])-[#6@@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6]

CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1ccc(Br)cc1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1cccc(Br)c1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1cccc(Br)c1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1ccccc1Br

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1ccc(Cl)cc1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1ccc(Cl)cc1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1cccc(Cl)c1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1cccc(Cl)c1

Fc1ccc(NC(=S)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1

Fc1ccc(NC(=O)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1

Fc1cccc(NC(=O)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1ccccc1F

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1ccccc1F

COc1ccc(NC(=S)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1

COc1ccc(NC(=O)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1

COc1cccc(NC(=S)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1

COc1cccc(NC(=O)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1

COc1ccccc1NC(=S)N1CCCC1C(=O)N1CCC(CC1)c1noc2cc(F)ccc12

COc1ccccc1NC(=O)N1CCCC1C(=O)N1CCC(CC1)c1noc2cc(F)ccc12

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1ccccc1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1ccccc1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1ccc(Br)cc1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=S)Nc1cccc(Br)c1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1cccc(Br)c1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=S)Nc1ccccc1Br

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1ccc(Cl)cc1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1cccc(Cl)c1

Fc1ccc(NC(=S)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1

Fc1ccc(NC(=O)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1

Fc1cccc(NC(=O)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=S)Nc1ccccc1F

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1ccccc1F

COc1ccc(NC(=S)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1

COc1ccc(NC(=O)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1

COc1cccc(NC(=S)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1

COc1cccc(NC(=O)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1

COc1ccccc1NC(=S)NCC(=O)N1CCC(CC1)c1noc2cc(F)ccc12

COc1ccccc1NC(=O)NCC(=O)N1CCC(CC1)c1noc2cc(F)ccc12

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=S)Nc1ccccc1

Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1ccccc1

OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)CF)cc1

OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(OCCF)cc1

C(=N)(N)NN

CC(=O)c1c(O)cc(O)c(C(C)=O)c1O

Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O

OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1

CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)N[C@H](C)C(O)=O

NCc1ccc(cc1)-c1ccc(cc1)C(O)=O

CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1

Oc1ccc(cc1)-c1ccccc1

CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl

CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]

CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NCCCN(C)C

C[C@@H](C(=O)NCCCN1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

OC(=O)c1cccc(c1)-c1ccc(Cl)cc1Cl

C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

Nc1cccc(c1)-c1cccc(c1)C(O)=O

Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O

c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl

OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1

CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1

C[C@@H](C(=O)NCCN1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

C[S+]([O-])c1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:10|

c1ccc(cc1)c2ccc(cc2)C(=O)O

c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2

CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1

CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NCCOCCO

OC(=O)c1cc(Cl)ccc1O

CC(C)(C)c1ccc(O)c(c1)C(O)=O

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

CC(Cc1ccc(cc1)[C@@H](C)C(=O)NS(C)(=O)=O)C(O)=O

OC(=O)c1cccc(c1)-c1ccccc1

COc1ccc2C(=O)N(Cc2c1)c1ccc(cc1)C(C)C(O)=O

OC(=O)c1cc(ccc1O)-c1ccccc1

Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O

CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NCCCN1CCCCC1

NCc1cc(ccc1F)-c1ccc(cc1)C(O)=O

OC(=O)c1cccc(c1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

Nc1cccc(c1)-c1ccc(O)c(c1)C(O)=O

OC(=O)c1cccc(c1)-c1cc(Cl)cc(Cl)c1

C[C@@H](C(N)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NS(C)(=O)=O

Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1

Nc1ccc(cc1)-c1cccc(c1)C(O)=O

CC(C)c1ccc(O)c(c1)C(O)=O

NC(=N)NCCCCCCCCN(CCCCCCCCNC(=N)NCC1CC1)C(=O)N(CCCCCCCCNC(N)=N)CCCCCCCCNC(=N)NCC1CC1

COc1ccc2oc(-c3csc4ccccc34)c(O)c(=O)c2c1

COc1ccc(Cl)cc1Nc1nc(cs1)-c1sc(NC(=O)c2ccccc2)nc1C

CC(=O)c1cccc(c1)N(CCO)c1nc(cs1)-c1sc(NC(=O)C(C)(C)C)nc1C

CCCCCCCCN(CCC(=O)Nc1ccccc1)CCC(=O)Nc1ccc(F)cc1

CCCCCCCCN(CCC(=O)NC1CCCCC1)CCC(=O)Nc1ccccc1

CCCCCCCCN(CCC(=O)Nc1ccccc1)CCC(=O)Nc1ccccc1

OC(=O)c1cccc(F)c1O

CC(=O)CC(c1ccc(I)cc1)c1c(O)c2ccccc2oc1=O

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N

CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1

CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1

CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)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](CCCCN)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](CCCCN)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](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H]4C)c4CC(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C |r|

CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(O)=O)[C@@H]4C)c4CC(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C |r|

Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1 |w:34.37,7.7|

OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|

OC(=O)[C@@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|

OC(=O)[C@H](Cc1ccc(O)c(Br)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|

OC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|

OC(=O)[C@H](Cc1ccc(O)c(F)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|

OC(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(=O)c1cc2c(F)cccc2[nH]1 |r|

COc1ccc(C[C@H](NC(=O)c2cc3c(F)cccc3[nH]2)C(O)=O)cc1 |r|

OC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|

OC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|

OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|

OC(=O)[C@H](Cc1cccc(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|

OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1c[nH]c2cccc(F)c12 |r|

OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2cc(F)ccc2[nH]1 |r|

OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2ccc(F)cc2[nH]1 |r|

OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2cccc(F)c2[nH]1 |r|

OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2ccccc2[nH]1 |r|

OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2o1 |r|

NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(O)=O |r|

NC(=N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(O)=O |r|

NC(=N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(O)=O |r|

NC(=N)NCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(O)=O |r|

COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)C[C@@H]1CCCN(C1)C(N)=N |r|

C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|

CC(=O)N[C@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(O)=O |r|

CC(=O)N[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(O)=O |r|

OC(=O)[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)CCC#C |r|

OC(=O)[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)CCCCN=[N+]=[N-] |r|

OC(=O)[C@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)CCCCN=[N+]=[N-] |r|

OC(=O)[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)c1ccc(cc1)N=[N+]=[N-] |r|

OC(=O)[C@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)c1ccc(cc1)N=[N+]=[N-] |r|

Cc1ccc(CCCC(=O)NCCCC[C@H](NC(=O)c2ccc(cc2)N=[N+]=[N-])C(O)=O)cc1 |r|

OC(=O)[C@H](CCCCNC(=O)CCCc1ccccc1)NC(=O)c1ccc(cc1)N=[N+]=[N-] |r|

OC(=O)[C@H](CCCCNC(=O)CCCc1ccc(F)cc1)NC(=O)c1ccc(cc1)N=[N+]=[N-] |r|

OC(=O)[C@H](CCCCNC(=O)CCCc1ccc(Cl)cc1)NC(=O)c1ccc(cc1)N=[N+]=[N-] |r|

OC(=O)[C@H](CCCCNC(=O)CCCc1ccc(Br)cc1)NC(=O)c1ccc(cc1)N=[N+]=[N-] |r|

OC(=O)[C@H](CCCCNC(=O)CCCc1ccc(cc1)C(F)(F)F)NC(=O)c1ccc(cc1)N=[N+]=[N-] |r|

CC(C)Cc1ccc(cc1)C(C)C(=O)NCCCC[C@H](NC(=O)c1ccc(cc1)N=[N+]=[N-])C(O)=O |r|

OC(=O)[C@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)c1ccc(cc1)C#C |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC1)C(CCC(=O)N[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(O)=O)C(O)=O |r|

OC(=O)[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)n1cc(nn1)-c1ccccc1 |r|

CC(=O)N[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(N)=O |r|

COC(=O)[C@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(C)=O |r|

NC(=O)[C@H](CC(O)=O)NC(=O)CCCc1ccc(I)cc1 |r|

NC(=O)[C@H](CCC(O)=O)NC(=O)CCCc1ccc(I)cc1 |r|

OC(=O)[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wD:3.3,(-0,-3.08,;-0,-1.54,;1.33,-.77,;-1.33,-.77,;-1.33,.77,;-0,1.54,;-0,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.7,;4,5.39,;5.33,6.16,;6.67,5.39,;8,6.16,;8,7.7,;9.33,8.47,;10.67,7.7,;12,8.47,;10.67,6.17,;9.34,5.39,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.34,-1.54,;-6.66,-.77,;-8,-1.54,;-8,-3.08,;-9.33,-3.85,;-9.73,-5.34,;-10.67,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-6.67,-5.39,;-5.33,-6.16,;-4,-5.39,;-2.67,-6.16,;-2.67,-7.69,;-1.33,-8.46,;-3.99,-8.47,;-5.33,-7.7,;-6.67,-8.47,;-8,-7.7,;-9.33,-8.47,;-10.67,-7.7,;-12,-8.47,;-10.67,-6.16,;-9.33,-5.39,;-8,-6.16,)|

CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1

Cc1c(C)c(=O)oc2cc(OCC3CCN(CCCO)CC3)ccc12

C[C@@H](N1C(=O)CCC1=O)C(=O)NCc1ccccc1 |r|

CS(=N)(=O)c1ccc(cc1)-c1ccccc1OCF

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)N[C@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(N)=O |r|

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CO)C(N)=O |r|

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)NCC(N)=O |r|

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCC(N)=O |r|

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)CSC[C@H](NC2=O)C(O)=O)NC(=O)CN)[C@@H](C)O |r|

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CO)C(O)=O)NC(=O)[C@@H]1CCCN1 |r|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCC(=O)NCCC(=O)NCCC(=O)NCCCCCCn1cc(C\C(=C(\O)/C=C/c2ccc(O)c(OC)c2)C(=O)\C=C\c2ccc(O)c(OC)c2)nn1)[C@@H](C)CCCC(C)C |r,t:9|

COc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccccc1)-c1ccccc1)C(N)=O |t:9|

Oc1ccccc1C1=C(C(c2ccc(Cl)cc2)c2c(O1)[nH]c(=S)[nH]c2=O)C(=O)N1CCCCC1 |t:8|

COc1ccc(cc1)C1C(C(=O)N2CCCCC2)=C(Oc2[nH]c(=S)[nH]c(=O)c12)c1ccccc1O |c:19|

COc1cc(ccc1O)C1C(C(=O)N2CCCCC2)=C(Oc2[nH]c(=S)[nH]c(=O)c12)c1ccccc1O |c:20|

Oc1ccc(cc1)C1C(C(=O)N2CCCCC2)=C(Oc2[nH]c(=S)[nH]c(=O)c12)c1ccccc1O |c:18|

Oc1ccccc1C1=C(C(c2ccccc2)c2c(O1)[nH]c(=S)[nH]c2=O)C(=O)N1CCCCC1 |t:8|

Cc1ccc(cc1)C1C(C(=O)N2CCCCC2)=C(Oc2[nH]c(=S)[nH]c(=O)c12)c1ccccc1O |c:18|

Oc1ccccc1C1=C(C(c2ccc(Br)cc2)c2c(O1)[nH]c(=S)[nH]c2=O)C(=O)N1CCCCC1 |t:8|

Oc1ccccc1C1=C(C(c2ccc(F)cc2)c2c(O1)[nH]c(=S)[nH]c2=O)C(=O)N1CCCCC1 |t:8|

Oc1ccccc1C1=C(C(c2cc3ccccc3cc2O)c2c(O1)[nH]c(=S)[nH]c2=O)C(=O)N1CCCCC1 |t:8|

[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

Oc1ccccc1C1C(C(=O)N2CCCCC2)=C(Oc2[nH]c(=S)[nH]c(=O)c12)c1ccccc1O |c:18|

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|

CCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCc2cc3CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSCc(c3)c2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)NCC(O)=O |r|

[H][C@@]12CCCN1C(=O)[C@H](CCCCNC(=O)c1cccc(Oc3ccccc3)c1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCn1cc(COc3cccc(C)n3)nn1)NC(=O)CNC(=O)[C@]1([H])CCCN1C(=O)[C@H](CCCCNC(=O)c1cnc(N3CCOCC3)c(N)c1)NC(=O)[C@H](CCCCNC(=S)Nc1ccc3c(c1)C(=O)OC31c3ccc(O)cc3Oc3cc(O)ccc13)NC(=O)[C@H](C)NC(=O)CNC2=O |r|

OC(=O)C(CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(N)=O |r|

OC(=O)[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wU:3.2,(-4,5.39,;-4,3.85,;-5.33,3.08,;-2.67,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;0,7.7,;1.33,8.47,;2.67,7.7,;4,8.47,;2.67,6.16,;4,5.39,;4,3.85,;5.34,3.08,;6.67,3.85,;8,3.08,;8,1.54,;9.33,.77,;6.67,.77,;5.34,1.53,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-4,-.77,;-2.67,-1.53,;-2.66,-3.07,;-4,-3.84,;-5.34,-3.07,;-5.33,-1.54,;-6.88,-3.07,;-7.65,-1.74,;-7.65,-4.41,;-4,-5.38,;-5.34,-6.15,;-6.66,-5.39,;-8,-6.16,;-8,-7.7,;-9.33,-8.47,;-6.66,-8.46,;-5.34,-7.69,;-4,-8.46,;-2.67,-7.69,;-1.33,-8.47,;-0,-7.69,;1.33,-8.46,;-0,-6.16,;-1.34,-5.39,;-2.67,-6.15,)|

NCCOCCOCCNC(=O)c1cccc(NC(=O)OC2CCN(CC2)C(=O)c2ccc(cc2)-c2nc3ccccc3[nH]2)c1

CC(=O)N(Cc1ccccc1OC[18F])c1cnccc1Oc1ccccc1

COc1ccccc1CN(C(=O)CF)c1cnccc1Oc1ccccc1

O=C(N[C@@H]1C[C@@H](C(=O)NC(CCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)N(C(=O)c2cnoc2C2CC2)C1)c1c[nH]nn1

Cc1cc(=O)oc2cc(NCc3ccccc3O)ccc12

Cc1cc(=O)oc2cc(NCc3cc(Cl)cc(Cl)c3O)ccc12

Cc1cc(=O)oc2cc(NCc3cc(Br)cc(Br)c3O)ccc12

Cc1cc(=O)oc2cc(NCc3cc(I)cc(I)c3O)ccc12

Cc1cc(=O)oc2cc(NCc3cc([N+](=O)[O-])ccc3O)ccc12