Compound Name

SMILES String

OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F

O=C1C(Cc2ccccc12)Sc1nnc(-c2ccco2)c(n1)-c1ccco1

OC(=O)c1ccc(cc1)-c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1

Brc1cnc2c(c1)nc1s\c(=C/c3ccco3)c(=O)n21

Brc1cccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)c1

[O-][N+](=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1

Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1

Clc1ccccc1\C=c1/sc2nc3cc(Br)cnc3n2c1=O

Cc1ccc2c(nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n23)c1C

Cc1cc2nc3s\c(=C\c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2cc1C

Clc1cc(Cl)cc(c1)-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1

CSc1nnc(-c2ccco2)c(n1)-c1ccco1

Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1

C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1

OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1

CCOC(=O)C1=C(N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1)c1ccccc1 |t:5,7|

O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCC(C1)c1ccccc1

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

Clc1cccc(Cl)c1NC(=S)NCCc1ccccc1

COc1cc(ccc1O)C(=S)N1CCC(C)CC1

S=C(N1CCOCC1)c1cn(CCOc2ccccc2)c2ccccc12

S=C(N1CCCC1)c1cn(CCOc2ccccc2)c2ccccc12

OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1

CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccccc1

CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1

CCOc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)N1CCN(C)CC1

NS(=O)(=O)c1ccc(NC(=S)NC2CC2)cc1

NS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1

NS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1

COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(O)=O

CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|

CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|

CC(C)OC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|

Fc1ccc(OCCn2cc(C(=S)N3CCCCC3)c3ccccc23)cc1

CC(C)(Oc1ccc2sc3ccccc3c2c1)C(O)=O

CSc1ccc(OCC(O)=O)cc1C

Cc1cc(OCC(O)=O)ccc1S(C)=O

Cc1cc(OCC(O)=O)ccc1S(C)(=O)=O

c1ccc2cc(ccc2c1)OCC(=O)O

[O-][N+](=O)c1ccc(OC(=O)COc2c(Cl)cccc2Cl)cc1

COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl

COc1cc(ccc1O)C(=S)N1CCCCC1

CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1 |w:13.14,t:7|

CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1cccc(C)c1

CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O

CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O

OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O

OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1ccccc1O

NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12

CN(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12

NS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12

CNS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12

CCN1CCN(CC1)C(=S)c1ccc(O)c(OC)c1

COc1cc(ccc1O)C(=S)N1CCCC1

COc1cc(ccc1O)C(=S)NC(C)(C)C

COc1cc(ccc1O)C(=S)NC1CCCCC1

CCC(CC)NC(=S)c1ccc(O)c(OC)c1

CCN(CC)C(=S)c1ccc(O)c(OC)c1

COc1cc(ccc1O)C(=S)NCc1ccccc1

COc1cc(ccc1O)C(=S)NC1CCCC1

S=C(N1CCCCC1)c1cn(CCOc2ccccc2)c2ccccc12

S=C(NC1CCCCC1)c1cn(CCOc2ccccc2)c2ccccc12

S=C(NCc1ccccc1)c1cn(CCOc2ccccc2)c2ccccc12

O=C(NCc1ccccc1)c1cn(CCOc2ccccc2)c2ccccc12

CN(C)C(=O)c1cn(CCOc2ccccc2)c2ccccc12

CNC(=O)c1cn(CCOc2ccccc2)c2ccccc12

CCN(CC)C(=O)c1cn(CCOc2ccccc2)c2ccccc12

CC(C)NC(=S)c1cn(CCOc2ccccc2)c2ccccc12

NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCCc2ccccc12

CCOC(=O)C1=C(C)N=c2s\c(=C\c3cc(Cl)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|

CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|

COc1cc(ccc1O)C(=S)NCc1ccc(C)cc1C

COc1cc(ccc1O)C(=S)NCc1ccc(F)c(C)c1

COc1cc(ccc1O)C(=S)NCc1ccc(Cl)c(C)c1

COc1cc(ccc1O)C(=S)NCc1ccc(O)cc1

COc1cc(ccc1O)C(=S)NCc1ccc(F)c(c1)C(F)(F)F

[O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1

Cn1ncnc2c1nc(=O)n(C)c2=O

c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O

COC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(C#N)c1C

Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c(C)c1

CCC(=S)C=C1Sc2ccccc2N1CCCS([O-])(=O)=O |w:4.3|

Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl

COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O

Cc1ccc(cc1)-c1nc(NC(=O)CSc2cc(C)c3ccccc3n2)ns1

Clc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|

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

S=C(NCCCN1CCOCC1)NCCCN1CCOCC1

Cc1snc2sc(C(=O)c3ccc(F)cc3)c(N)c12

Cc1c(cccc1[N+]([O-])=O)[NH+]=Nc1c([n-]n(C(N)=S)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:10.10|

Cc1cc2nc([nH]c2cc1C)-c1ccc(SCc2ccc(cc2)C(O)=O)nc1

COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O

COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1

Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(ccc3O)[N+]([O-])=O)c3ccccc23)cc1 |w:13.13|

[O-][N+](=O)c1ccc2[nH+]c([n-]c(=O)c2c1)C(=O)N\N=C\c1ccccc1Cl

CN1CCN(CC1)C(=S)C(=O)Nc1ccc(Br)cc1

Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1C

NC(=O)C1(CCN(CC1)C(=S)Nc1ccc(cc1)S(N)(=O)=O)N1CCCCC1

COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O

CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1Cl |w:8.8|

COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O

COC(=O)Nc1sc2CC(C)CCc2c1C(N)=O

Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12

CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O

CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1

COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:22,t:19|

Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O

OC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1

OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)cc1

OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|

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

CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1

OC(=O)c1cccc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1

CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21 |c:19,24|

CN1C(=O)\C(=C2/SC(=S)N(CCCCCC(O)=O)C2=O)c2ccccc12

COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12

OC(=O)C1CCC(CC1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl |(16.37,-1.33,;15.6,,;16.37,1.33,;14.06,,;13.29,-1.33,;11.75,-1.33,;10.98,,;11.75,1.33,;13.29,1.33,;9.44,,;8.54,1.24,;9.02,2.7,;7.08,.77,;7.08,-.77,;8.54,-1.24,;9.02,-2.7,;5.75,-1.54,;5.75,-3.08,;4.41,-.77,;3.08,-1.54,;4.41,.77,;3.08,1.54,;5.75,1.54,;5.75,3.08,)|

Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)c(Br)c1O |w:7.7|

OC(=O)c1cc(ccc1Cl)-c1ccc(C=c2sc3nc4ccc(Br)cc4n3c2=O)o1

Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|

Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|

OC(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc12

Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12

COc1ccc(OC)c(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:17.18|

COc1ccc(NC(=O)c2cc3c(COC(C)=O)cnc(C)c3o\c2=N/c2cccc(c2)C(O)=O)c(OC)c1

OC(=O)c1ccc(cc1Cl)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1

Oc1ccc(N=Nc2cccc3c(cccc23)S(O)(=O)=O)c2cccnc12 |w:6.6|

Cc1c(sc2nc(C=Cc3ccc(C)c(c3)[N+]([O-])=O)[nH]c(=O)c12)C(O)=O |w:7.6|

OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12

Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|

Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1

COc1ncccc1-c1nnn(n1)-c1ccccc1

Clc1ncccc1-c1nnn(n1)-c1ccccc1

c1ccc(cc1)-n1nnc(n1)-c1cccnc1

c1ccc(cc1)-n1nnc(n1)-c1cnc2ccccc2c1

Clc1nc2ccccc2cc1-c1nnn(n1)-c1ccccc1

COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccccc1

COc1ncccc1-c1nnn(n1)-c1ccc(Cl)c(Cl)c1

Clc1ccc(cc1Cl)-n1nnc(n1)-c1cccnc1Cl

Clc1ccc(cc1Cl)-n1nnc(n1)-c1cccnc1

Clc1ccc(cc1Cl)-n1nnc(n1)-c1cnc2ccccc2c1

Clc1ccc(cc1Cl)-n1nnc(n1)-c1cc2ccccc2nc1Cl

COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccc(Cl)c(Cl)c1

COc1ncccc1-c1nnn(n1)-c1ccc(F)cc1

Fc1ccc(cc1)-n1nnc(n1)-c1cccnc1Cl

Fc1ccc(cc1)-n1nnc(n1)-c1cccnc1

Fc1ccc(cc1)-n1nnc(n1)-c1cnc2ccccc2c1

Fc1ccc(cc1)-n1nnc(n1)-c1cc2ccccc2nc1Cl

COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccc(F)cc1

COc1ncccc1-c1nnn(n1)-c1ccc(C)cc1

Cc1ccc(cc1)-n1nnc(n1)-c1cccnc1Cl

Cc1ccc(cc1)-n1nnc(n1)-c1cccnc1

Cc1ccc(cc1)-n1nnc(n1)-c1cnc2ccccc2c1

Cc1ccc(cc1)-n1nnc(n1)-c1cc2ccccc2nc1Cl

COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccc(C)cc1

COc1ncccc1-c1nnn(n1)-c1ccc(Cl)nc1

Clc1ccc(cn1)-n1nnc(n1)-c1cccnc1Cl

Clc1ccc(cn1)-n1nnc(n1)-c1cccnc1

Clc1ccc(cn1)-n1nnc(n1)-c1cnc2ccccc2c1

Clc1ccc(cn1)-n1nnc(n1)-c1cc2ccccc2nc1Cl

COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccc(Cl)nc1

Cc1ccccc1-n1c(N)c(sc1=S)C(=O)N1CCOCC1 |(3.12,-3.15,;4.46,-3.92,;4.46,-5.46,;5.79,-6.23,;7.12,-5.46,;7.12,-3.92,;5.79,-3.15,;5.79,-1.61,;7.04,-.7,;8.5,-1.18,;6.56,.76,;5.02,.76,;4.54,-.7,;3.08,-1.18,;7.47,2.01,;9,1.85,;6.84,3.41,;5.31,3.58,;4.68,4.98,;5.59,6.23,;7.12,6.07,;7.74,4.66,)|

COc1ccc(Cl)cc1-n1c(N)c(sc1=S)C(=O)N1CCOCC1 |(3.08,-3.92,;4.41,-3.15,;5.75,-3.92,;5.75,-5.46,;7.08,-6.23,;8.41,-5.46,;9.75,-6.23,;8.41,-3.92,;7.08,-3.15,;7.08,-1.61,;8.33,-.7,;9.79,-1.18,;7.85,.76,;6.31,.76,;5.84,-.7,;4.37,-1.18,;8.76,2.01,;10.29,1.85,;8.13,3.41,;6.6,3.58,;5.97,4.98,;6.88,6.23,;8.41,6.07,;9.04,4.66,)|

Cc1ccc(C)c(c1)-n1c(N)c(sc1=S)C(=O)N1CCCCC1 |(8.46,-6.23,;7.12,-5.46,;5.79,-6.23,;4.46,-5.46,;4.46,-3.92,;3.12,-3.15,;5.79,-3.15,;7.12,-3.92,;5.79,-1.61,;7.04,-.7,;8.5,-1.18,;6.56,.76,;5.02,.76,;4.54,-.7,;3.08,-1.18,;7.47,2.01,;9,1.85,;6.84,3.41,;5.31,3.58,;4.68,4.98,;5.59,6.23,;7.12,6.07,;7.74,4.66,)|

Nc1c(sc(=S)n1-c1ccc(F)c(Cl)c1)C(=O)N1CCOCC1

Cc1ccc(cc1C)-n1c(N)c(sc1=S)C(=O)Nc1ccccc1F

Cc1ccc(NC(=O)c2sc(=S)n(c2N)-c2cc(C)ccc2F)cc1 |(10.46,7.31,;9.56,6.07,;10.18,4.66,;9.28,3.41,;7.74,3.58,;6.84,2.33,;7.47,.92,;9,.76,;6.56,-.32,;5.02,-.32,;4.54,-1.79,;3.08,-2.26,;5.79,-2.69,;7.04,-1.79,;8.5,-2.26,;5.79,-4.23,;7.12,-5,;7.12,-6.54,;8.46,-7.31,;5.79,-7.31,;4.46,-6.54,;4.46,-5,;3.12,-4.23,;7.12,4.98,;8.02,6.23,)|

Cc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)N1CCN(CC1)c1ccccc1F

NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1

NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1

NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1

NS(=O)(=O)c1ccc(NC(=S)NC2CCCC2)cc1

CCNS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1

NS(=O)(=O)c1ccc(NC(=S)Nc2ccc3CCCc3c2)cc1

NS(=O)(=O)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1

NS(=O)(=O)c1ccc(NC(=S)NC2CCCc3ccccc23)cc1

Cc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1

Cc1cccc(NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c1

COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1

Cc1ccc(cc1NC(=O)c1cc(ccc1Cl)-n1cnnc1)-c1nc2ccccc2s1

Clc1ccc(cc1)-c1nc(NC(=O)CSc2ccc3ccccc3n2)ns1

CCOc1ccc(cc1)-n1c(SCC(=O)N2CCc3ccccc23)nnc1-c1c[nH]c2ccccc12

Cc1ccc(cc1)-c1nnn2c1nc(NCCc1ccc(cc1)S(N)(=O)=O)c1ccccc21

COc1ccccc1CCNC(=O)c1cc(nc2ccc(Br)cc12)-c1ccncc1

Cc1ccc2nc(cc(C(=O)Nc3ccc(OC(F)F)cc3)c2c1)-c1ccncc1

Brc1ccc2nc(cc(C(=O)Nc3ccncc3)c2c1)-c1ccccn1

O=C(Nc1ccc2oc(nc2c1)-c1cccnc1)c1ccc2OCCOc2c1

Cc1csc(NC(=O)CCCC(O)=O)c1-c1nc2ccccc2s1

Cn1c2ccccc2c(=O)c2ccc(cc12)C#Cc1ccccn1

CCOc1cccc2sc(NC(=O)c3ccc(OC)cc3)nc12

Cc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)CSc1nnc(-c2cccs2)n1C

COc1cccc2sc(Nc3nnc(o3)-c3cccs3)nc12

COc1cccc2sc(Nc3nnc(o3)-c3ccc(F)cc3)nc12

COc1cccc2sc(NC(=O)c3ccc(cc3)C(=O)c3ccccc3)nc12

COc1cccc2sc(NC(=O)c3ccccc3)nc12

COc1cccc2sc(NC(=O)c3ccc(cc3)C#N)nc12

COc1ccc(cc1)C(=O)Nc1nc2c(OC)cccc2s1

COc1cccc2sc(NC(=O)c3cccc(c3)C(F)(F)F)nc12

COc1ccc(cc1)C(=O)NNc1nc2c(OC)cccc2s1

COc1cccc2sc(Nc3nnc(o3)-c3ccccc3)nc12

COc1ccc(cc1)-c1nnc(Nc2nc3c(F)cccc3s2)o1

COc1ccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c(OC)c1

COc1ccc(cc1)C(=O)Nc1nc2c(OC)ccc(C)c2s1

Cc1cc(Cl)cc2sc(nc12)N(Cc1cccnc1)C(=O)c1cccc(c1)-n1c(O)ccc1O

Clc1ccc(cc1C(=O)Nc1ccc(cc1)-c1nc2ccccc2s1)-n1cnnc1

Cc1ccc2sc(nc2c1)-c1ccc(NC(=O)c2cc(ccc2Cl)-n2cnnc2)cc1

Cc1c(NC(=O)c2cc(ccc2Cl)-n2cnnc2)cccc1-c1nc2ccccc2s1

Cn1cnnc1SCC(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1

Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)c4ccc(Cl)cc4)sc3c2)nnc1-c1ccc(N)cc1

Cc1ccc(cc1)C(=O)NC(=S)Nc1ccc(Cl)c(c1)-c1nc2ccccc2s1

COc1ccc(cc1)C(=O)Nc1cc(C)nn1-c1nc2ccccc2s1

CC(C)(C)c1ccc(cc1)C(=O)NCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1-c1cccc(Cl)c1

COc1ccc(cc1)-c1nnc(Nc2nc3ccc(SC)cc3s2)o1

CSc1ccc2nc(Nc3nnc(o3)-c3ccc4OCCOc4c3)sc2c1

COc1cc(oc1C1=c2[nH]c3=CCCCCCCC[C@@H]1[C@@H](C(C)C)c2c3)-c1[nH]ccc1Cl |r,w:11.12,c:8|

COc1cc(oc1C1=c2[nH]c3=CCCCCCCC[C@H]1[C@H](C(C)C)c2c3)-c1[nH]ccc1Cl |r,w:11.12,c:8|

CC(C)[C@@H]1[C@H]2CCCCCCCC=c3cc1c([nH]3)=C2c1ccc(o1)-c1ccc[nH]1 |r,w:12.11,c:19|

C\C(=C1/C=CC=N1)c1ccc(o1)-c1[nH]ccc1Cl |c:3,5|

C\C(=C1/C=CC=N1)c1ccc(o1)-c1ccc[nH]1 |c:3,5|

CCC1=CC2=N\C1=C/c1ccc(CCCCCCCCCc3ccc2[nH]3)[nH]1 |c:4,t:2,7|

COC1=CC2=N\C1=C/c1ccc(CCCC\C=C\CCCc3ccc2o3)[nH]1 |c:4,t:2,7,17|

COC1=CC2=N\C1=C/c1ccc(CCCC\C=C\CCCCCCCCCCc3ccc2o3)[nH]1 |c:4,t:2,7,17|

COC1=CC2=N\C1=C/c1ccc(CCCC\C=C\CCCc3cccc2c3)[nH]1 |c:4,t:2,7,17|

COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc(CCCC=C)[nH]1 |c:4,t:2|

COC1=CC(=NC1=Cc1ccc(CCCCC=C)[nH]1)c1ccc([nH]1)C(=O)CCC=C |w:7.8,c:4,t:2|

COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc([nH]1)C(\C)=C/CC=C |c:4,t:2|

COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc[nH]1 |c:4,t:2|

CCc1ccc(\C=C2/N=C(C=C2OC)c2ccc[nH]2)[nH]1 |c:8,10|

COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc(CCCC=C)s1 |c:4,t:2|

COC1=CC(=O)N\C1=C/c1ccc(CCCCC=C)[nH]1 |t:2|

CCc1ccc(\C=C2/NC(=O)C=C2OC)[nH]1 |c:11|

COC1=CC(=O)N\C1=C/c1ccc(CCCC\C=C\CCCCC(O)=O)[nH]1 |t:2|

Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O

O=C(NCCCn1ccnc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O

COc1ccc(OC)c(c1)-n1c(O)c2o[nH]c(-c3ccccc3Cl)c2c1=O |(3.08,-4.13,;4.62,-4.13,;5.39,-2.79,;4.62,-1.46,;5.39,-.13,;6.93,-.13,;7.7,1.21,;6.93,2.54,;7.7,-1.46,;6.93,-2.79,;9.24,-1.46,;10.15,-2.71,;9.67,-4.17,;11.61,-2.23,;13.07,-2.7,;13.97,-1.46,;13.07,-.22,;13.55,1.24,;12.52,2.39,;13,3.85,;14.5,4.17,;15.53,3.02,;15.05,1.56,;16.08,.41,;11.61,-.69,;10.15,-.21,;9.67,1.25,)|

Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O

CN(C)c1ccc(cc1)C(=O)OCC(=O)Nc1ccc(cc1)S(N)(=O)=O

Cn1cc(CC(=O)Nc2cccc(c2)C#N)c2ccccc12

Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1

OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1

CCOC(=O)c1c(C)c(sc1NC(=O)OC)C(=O)N(CC)CC

CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1

CCc1c(C)[nH]n(-c2ccc(Oc3ccccc3)c(c2)S(O)(=O)=O)c1=O

OC(=O)C1=C(CSC2C(NC(=O)Cc3ccccc3)C(=O)N12)C=C |t:3|

CCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1

CCN1CCN(CC1)C(=S)c1ccc(Cl)cc1

Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O

CCc1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1

CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC

Cc1c(C)c2ccccc2n1C(=O)CSc1nc2ccccc2[nH]1

OC(=O)CC[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCC1)c1cccs1

Oc1ccc2oc(=O)c(cc2c1)-c1nn(cc1C=O)-c1ccccc1

Cc1nn(C)cc1C=NNC(=S)Nc1ccccc1 |w:8.9|

COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2ccccn2)c2ccccc2c1=O

Brc1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1

CCN1CCN(CC1)C(=S)c1ccc(Br)cc1

OCCN1CCN(CC1)C(=S)c1ccc(Br)cc1

COc1cccc(c1)-c1cc(C(=O)Nc2nc3ccccc3s2)c2ccccc2n1

Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1

[O-][N+](=O)c1cccc(c1)C(=[NH2+])[N-]OC(=O)c1cccc2ccccc12

COc1ccc(CN=Nc2nc(O)c(CC(O)=O)s2)cc1OCc1ccc(Cl)cc1Cl |w:8.8|

CCCCC(=O)Nc1ccc(cc1)C(=O)NNC(=O)c1ccc(C)c(Br)c1

CCOc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cc(ccc1Cl)-c1nc2ccccc2[nH]1

CN1CCN(CC1)C(=S)c1ccc(Br)cc1

CCC(CC)c1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)s1

Brc1ccc(C=Nn2c(n[nH]c2=S)-c2cccnc2)s1 |w:6.6|

O=C(CCc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1

COc1ccc(Cl)cc1NC(=S)N(CCCN1CCOCC1)Cc1cn(C)c2ccccc12

COc1cc(Cl)ccc1NC(=S)N(CCCN1CCOCC1)Cc1cn(C)c2ccccc12

COCCN(C(C)c1cccnc1)C(=S)Nc1c(C)cc(C)cc1C

COc1ccc(NC(=S)N2CCC(CC2)N(C)CC2CCCO2)cc1Cl

COc1ccccc1Nc1ccc(cc1N)[N+]([O-])=O

CC(C)CC(=O)Nc1cc(ccc1C)-c1nc2ncccc2o1

[O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1

Clc1ccc(s1)C(=O)Oc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1

CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(C)c(=O)c12)[N+]([O-])=O

Cc1ccc(Cn2cc(C=O)c(n2)-c2ccc(C)cc2)cc1

COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NCCN2CCOCC2)ccc1N1CCOCC1

Brc1ccc(o1)C(=O)N\N=C\c1ccc(Br)cc1

O=C(N\N=C\c1coc2ccccc2c1=O)c1cc2ccccc2o1

CC(C)OCCCNC(=S)Nc1ccc(cc1)S(N)(=O)=O

[O-][N+](=O)c1cc(\C=N\NC(=O)c2ccc3OCCOc3c2)ccc1Cl

Clc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)N\N=C\c2ccncc2)cc1

Oc1ccccc1C(=O)N\N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1

COCCCN(C(C)c1ccccn1)C(=S)Nc1c(C)cc(C)cc1C

COc1ccc(NC(=S)N(CCCN2CCC(C)CC2)Cc2cccs2)cc1Cl

CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1

NC(NC(=O)c1ccccc1)=NCc1ccc2OCOc2c1 |w:11.12|

Oc1ccc(cc1)C(=O)N\N=C\c1ccc(OCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C1=NC(=S)NC(C1)c1ccc2OCOc2c1 |t:16,TLB:8:1:12:6.9.5,THB:2:1:9:3.12.5,2:3:9:1.11.8|

OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)-c1nc2ccccc2s1

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

COc1cc(NC(=S)N2CCN(C)CC2)c(OC)cc1Cl

Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1

CCCCN(CC)Cc1ccc(CNC(=S)Nc2c(C)cc(C)cc2C)o1

Cc1ccccc1N1CCN(CC1)C(=S)c1ccc(o1)-c1cccc(c1)[N+]([O-])=O

CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(=O)OC(C)C(=O)Nc1ccc2OCCOc2c1

CCN1CCN(CC1)C(=S)c1ccc(O)cc1

COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1

Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C

CN1CCN(CC1)C(=S)Nc1ccc(cc1)S(N)(=O)=O

CCN1CCN(CC1)C(=S)c1ccc(OCC(=O)NCc2ccccc2)cc1

COc1ccc(NC(=S)NCCN2CCC(C)CC2)cc1Cl

NS(=O)(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1

O=C(NC1CCCCCC1)C(=S)NC1CCCCC1

CN(C)c1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1

COc1cc(\C=C2\C(=O)NN(C2=O)c2cccc(C)c2)cc(c1O)[N+]([O-])=O

Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O

[O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccc(Br)cc2)c1

COc1ccc(NC(=S)NCCCN2CCCC2)cc1Cl

CC(=O)N1CCC(CC1)N(CCN1CCOCC1)C(=S)Nc1ccc(C)cc1

CN1CCC2(CC1)NC(=S)C(=N2)c1ccc(F)cc1 |c:11|

CN(C)CCN(Cc1cccs1)C(=S)Nc1ccc(C)cc1C

[NH-]S(=O)(=O)c1ccccc1

COc1ccc2cc3c(N)nn(C(=O)c4cccc(F)c4)c3nc2c1

OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1

CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)Nc1ccc(Oc2ccccc2)cc1

CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)Nc1cc(Cl)ccc1C

S=C(NCCCN1CCOCC1)Nc1ccc(cc1)-c1nc2ccccc2[nH]1

Clc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=S)NCCN3CCOCC3)c2)cc1

Cc1ccc(s1)C(=S)N1CCN(Cc2ccccc2)CC1

S=[#6]-1-[#7]-[#6](-[#6]-2-[#6]-[#6]-[#6]\[#6](=[#6]-3/[#16]-[#6]-[#6]-[#16]-3)-[#6]-2=[#7]-1)-c1ccccc1 |c:16|

Oc1cc(=O)[nH]c(NC#N)n1

Cc1nnc2sc(nn12)-c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)cc1

[O-][N+](=O)c1ccc(OCC(=O)Nc2nnc(s2)-c2cccnc2)cc1

O=C1Nc2ccc3sc4ccccc4c3c2C1=O

Fc1ccc(C=NNC(=O)c2cc(n[nH]2)-c2ccc3OCOc3c2)cc1 |w:6.6|

Brc1ccc(cc1)C(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1

CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|

Clc1ccc(Cl)c(c1)-c1nc(no1)-c1ccncc1

Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(OCC(O)=O)c(Br)c3)C2=O)cc1

O=S(=O)(Nc1ccccc1)c1cccc2nsnc12

CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Oc2ccc(C(O)=O)c(c2)C(O)=O)c1

Oc1ccc(cc1NC(=O)c1cccc(c1)C(=O)Nc1cc(ccc1O)[N+]([O-])=O)[N+]([O-])=O

COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1Cl

COc1cc(\C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1

CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|

OCCCN1C(C(C(=O)c2ccc(Br)cc2)C(=O)C1=O)c1ccc(Br)cc1

Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12

COc1cccc(c1)N1[C@@H](CC(O)=O)c2ccc(\C=C\C(O)=O)cc2S1(=O)=O

CCOc1ccc(\C=N\NC(=O)c2cc3c(OC)cccc3[nH]2)cc1

CCOC(=O)CN1C(=O)S\C(=C\c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O

Cc1c(CC(=O)NCCCCCC(O)=O)c(=O)oc2c(C)c3oc4CCCCc4c3cc12

Cc1c(CC(O)=O)c(=O)oc2c(C)c(OCc3ccccc3Br)ccc12

Cc1c(OCc2ccc(F)cc2Cl)ccc2c(C)c(CC(O)=O)c(=O)oc12

NS(=O)(=O)c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1

Cc1ccc(NC(=O)CCn2c3ccccc3oc2=S)cc1F

COC(=O)c1ccccc1CSc1nsc(\C=C\N(C)C)c1C#N

NC(=O)c1cc2ccccc2o\c1=N/NC(=O)c1ccccc1O

Brc1cccc(c1)N1NC(=O)\C(=C\c2ccc(cc2)N2CCOCC2)C1=O

Cc1ccc(cc1)S(=O)(=O)c1cnc2ccc(Cl)cc2c1O

OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 |w:14.14|

C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1

Clc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N\N=C\c1cccnc1

CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1

CC(=O)N1CCOc2ccc(cc12)S(=O)(=O)NCc1ccc(F)cc1

Brc1cccc(\C=N\NC(=O)c2ccc(cc2)N2CCCC2=O)c1

[O-][N+](=O)c1ccc(NC(=O)COc2ccc([CH+][N-]NC(=O)c3ccncc3)cc2)cc1

CCOc1ccc(CCNC(=O)CS(=O)(=O)Cc2nc(oc2C)-c2ccc(OC)cc2)cc1

Cc1ccc(NC(=O)c2ccc3nc(sc3c2)N2CCOCC2)c(Cl)c1

COc1cc(\C=C2\SC(=S)N(CC(O)=O)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1

Cc1c(C)c(=O)oc2c(C)c(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12

CC(N1C(=S)S\C(=C\c2cccs2)C1=O)C(=O)Nc1ccc(O)cc1C(O)=O

CC(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-n1cnnn1

CC(=NNC(=O)c1ccccc1O)c1ccc(NC(=O)Cc2ccccc2)cc1 |w:2.2|

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

Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|

CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12

COc1ccc(nn1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1

CCCN(CC(=O)Nc1ccccc1OC)C(=O)Cc1ccc2CCCc2c1

CC(SCc1nc2sc(C)c(C)c2c(=O)[nH]1)C(=O)Nc1ccc(Cl)cn1

OC(=O)C(S)C(S)C(O)=O

CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O

COc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1

CSc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:8.8|

Clc1ccc(cc1)-n1cnc2c1nc[nH]c2=S

Nc1ccc2c(O)cc(cc2c1)S(O)(=O)=O

Oc1cc(cc2ccc(Nc3ccccc3)cc12)S(O)(=O)=O

Oc1ccccc1C=NNC(=O)NN=Cc1ccccc1O |w:8.9,13.13|

[O-][N+](=O)c1cccc(c1)C(=O)N\[NH+]=C\[c-]1ccccc1=O

CC(=NNC(=S)N1CC2CCC(CC2)C1)c1cccc(C)n1

OC(=O)Cc1cccc(=O)c(O)c1C(O)=O

CC1C(=O)C(=O)C(C(=O)C1=O)=c1c(O)c(O)c(=C)c(O)c1O |(6.57,5.39,;6.57,3.85,;7.91,3.08,;9.24,3.85,;7.91,1.54,;9.24,.77,;6.57,.77,;5.24,1.54,;3.91,.77,;5.24,3.08,;3.91,3.85,;6.57,-.77,;5.24,-1.54,;3.91,-.77,;5.24,-3.08,;3.91,-3.85,;6.57,-3.85,;6.57,-5.39,;7.91,-3.08,;9.24,-3.85,;7.91,-1.54,;9.24,-.77,)|

[#7]\[#7]=[#6]-1\[#6](Cl)=[#6](Cl)-[#6](Cl)=[#6]-1Cl |c:8,t:4|

Cc1ccc(cc1NC(=O)c1ccc(=O)[nH]c1)S(=O)(=O)N1CCCCC1

COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9|

[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc2c1c(=O)[nH][nH]c2=O

CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O

COc1cc(CC(=O)NCC(NC(=O)C(CCCNC(=O)c2cccc(I)c2)NC(=O)C(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)NC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O

Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1

CC1(N)CCN(CC1)c1nc(cs1)-c1ccc2cc(Br)ccc2c1

[H][C@@]12CCC=C(COC(=O)c3cc(Br)c[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\C[n+]1cn(C)c2ncnc(N)c12 |r,t:4|

[H][C@@]12CCC=C(COC(=O)c3ccc[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\Cn1c[n+](C)c2ncnc(N)c12 |r,t:4|

OC(=O)c1noc(c1-c1cccc(c1)-c1ccc(O)c(F)c1)-c1ccccc1

OC(=O)c1noc(c1-c1cccc(c1)-c1ccc(O)c(Cl)c1)-c1ccccc1

OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)c(O)c(c1)[N+]([O-])=O)-c1ccccc1

OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)c(O)c(Cl)c1)-c1ccccc1

OC(=O)c1noc(c1-c1cccc(c1)-c1ccc(O)cc1)-c1ccccc1

OC(=O)c1noc(c1-c1cccc(c1)-c1cccc(O)c1)-c1ccccc1

OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)cc(Cl)c1)-c1ccccc1

Cc1cc(cc(C)c1O)-c1cccc(c1)-c1c(noc1-c1ccccc1)C(O)=O

OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O

OC(=O)COc1c(Br)cc(cc1Br)-c1c2c(sc3ccccc23)c(Br)c2ccccc12

OC(=O)[C@@H](Cc1ccccc1)Oc1c(Br)cc(cc1Br)-c1c2c3ccccc3oc2c(Br)c2ccccc12

COc1c2CC(C)(C)Cc2c2C(=O)OC(O)Cc2c1C=O

CC1(C)Cc2c(C1)c1C(=O)OC(O)Cc1c(C=O)c2O

OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 |r|

CCCCc1ccc(\C=C\S(=O)(=O)Nc2nc(c(CCC)s2)-c2ccc(cc2)-c2ccccc2)cc1

CCc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccccc1

CCCc1sc(NS(=O)(=O)\C=C\c2ccc(C)cc2)nc1-c1ccc(Cl)cc1

CCCc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccc(cc1)C(F)(F)F

Clc1ccc(cc1)-c1csc(NS(=O)(=O)\C=C\c2ccccc2Cl)n1

[O-][N+](=O)c1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1

Cc1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1

CCCc1sc(NS(=O)(=O)\C=C\c2ccc(cc2)-c2ccccc2)nc1-c1ccc(Cl)cc1

Fc1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1F

CCc1sc(NS(=O)(=O)\C=C\c2ccc(cc2)S(C)(=O)=O)nc1-c1ccccc1

CCCc1sc(NS(=O)(=O)\C=C\c2ccc(F)c(F)c2)nc1-c1ccc(cc1)C(F)(F)F

CCCc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccc(cc1)-c1ccccc1

COc1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1OC

O=S(=O)(Nc1nc(c(s1)-c1ccccc1)-c1ccccc1)\C=C\c1ccc(cc1)-c1ccccc1

CCCc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccc(Cl)cc1

CCCc1sc(NS(=O)(=O)\C=C\c2ccc(C)cc2)nc1-c1ccc(cc1)C(F)(F)F

CCc1sc(NS(=O)(=O)\C=C\c2ccc3ccccc3c2)nc1-c1ccccc1

COC(=O)c1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1

CCc1sc(NS(=O)(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)nc1-c1ccccc1

Cc1sc(NS(=O)(=O)\C=C\c2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1

Cc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccc(Cl)cc1

CCCc1sc(NS(=O)(=O)\C=C\c2ccc(cc2)C(F)(F)F)nc1-c1ccc(cc1)-c1ccccc1

O=S(=O)(Nc1nc(c(s1)-c1ccccc1)-c1ccccc1)\C=C\c1ccc(cc1)C#N

Clc1ccccc1\C=C\S(=O)(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccccc1

CCCc1sc(NS(=O)(=O)\C=C\c2ccc(C)cc2)nc1-c1ccc(cc1)-c1ccccc1

CCCc1sc(NS(=O)(=O)\C=C\c2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1

CCCCc1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1

CCCCCCCCCCc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccccc1

CCCCCCCCC\C=C\S(=O)(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccccc1

CCCc1sc(NS(=O)(=O)\C=C\c2ccc3ccccc3c2)nc1-c1ccc2ccccc2c1

O=S(=O)(Nc1nc(c(s1)-c1ccccc1)-c1ccccc1)\C=C\c1ccco1

FC(F)(F)c1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1

O=S(=O)(Nc1nc(c(s1)-c1ccccc1)-c1ccccc1)\C=C\c1ccc2ccccc2c1

CCCc1sc(NS(=O)(=O)\C=C\c2ccc3ccccc3c2)nc1-c1ccc(cc1)-c1ccccc1

CCCc1sc(NS(=O)(=O)\C=C\c2ccc(F)c(F)c2)nc1-c1ccc(cc1)-c1ccccc1

CN(C)c1cc(O)c(cc1C#Cc1cccc(NC(=O)C(O)=O)c1)C(O)=O

OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C(F)(F)F

OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Cl)C(F)(F)F

CCCCCCCCCCCCCCSC(=O)c1c(O)oc(CO)c1O

CCCCCCCCOC(=O)c1c(O)oc(CO)c1O

CCCCCCCCCCCCCCCC(=O)C1C(=O)OC(=C)C1=O

CCCCCCCCCCCCCCCC(=O)C1=C(OC)[C@@H](CO)OC1=O |c:17|

CCCCCCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O

OCc1oc(O)c(C(=O)OCc2ccccc2)c1O

[#6]-[#6](-[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#8])oc(-[#6]-[#8])c1-[#8])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]

CCCCCCCCCCOC(=O)c1c(O)oc(CC(=O)OCCCCCCCCC)c1O

CCCCCCCC\C=C\CCCCCCCC(=O)c1c(O)oc(CO)c1O

CCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O

CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)OC)c1O

CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)OCCCCCCCCC)c1O

CCCCC\C=C\C\C=C\C\C=C\CCCCCOC(=O)c1c(O)oc(CO)c1O

CCCCCCCCCCCCCCCC(=O)c1c(O)coc1O

CCCCCCCCCCCCCCCC(=O)c1c(O)oc(COS(C)(=O)=O)c1O

CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)Oc2cccc(c2)C(=O)c2ccccc2)c1O

OCc1oc(O)c(C(=O)OC2CCCCC2)c1O

CCCCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O

OCc1oc(O)c(C(=O)OCCCCCCCCCCCCCCCCNC(=O)OCC=C)c1O

CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O

CCCCCCCCCCCCCCNC(=O)c1c(O)oc(CO)c1O

CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)O[C-]([N+]#N)C(=O)OCC)c1O

CCCCCCCCCCCCCCCC(=O)C1=C(O)O[C@H](CC(=O)Oc2ccc(cc2)C2(N=N2)C(F)(F)F)C1=O |c:17,34|

CCCCCCCCCCCCCCCC(=O)c1c(O)oc(C)c1O

CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)Oc2ccc(cc2)C(=O)c2ccccc2)c1O

CCCCC\C=C\C\C=C\CCCCCCCCOC(=O)c1c(O)oc(CO)c1O

OCc1oc(O)c(C(=O)C=Cc2ccccc2)c1O |w:10.10|

OCc1oc(O)c(C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1O

CC\C=C\C\C=C\C\C=C\CCCCCCCCOC(=O)c1c(O)oc(CO)c1O

CCCCCCCCCCCCCCOC(=O)C1=C(OC)[C@@H](CO)OC1=O |c:17|

CCCCCCCCCCCCCCOC(=O)c1c(O)oc(CC(=O)OC)c1O

COc1cc(CC=Nc2cc(O)c3cccnc3c2O)ccc1O |w:6.5|

CC(Nc1cc(O)c2ncccc2c1O)C(=O)c1ccccc1

Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2cnccc12 |w:6.6|

ClC1=C(Cl)C(=O)c2cnncc2C1=O |c:1|

ClC1=C(Cl)C(=O)c2cnccc2C1=O |c:1|

CCCCCCOc1ccc(NC2=C(Cl)C(=O)c3cccnc3C2=O)cc1 |c:12|

COC1C(=N)C(=O)c2nc(ccc2C1=O)-c1nc(C(=O)OC)c(C)c(c1N)-c1ccc(OC)c(OC)c1O |(10.32,-.31,;10.33,-1.86,;11.68,-2.63,;11.68,-4.17,;10.33,-4.94,;13,-4.93,;13.01,-6.48,;14.33,-4.16,;15.67,-4.93,;17,-4.16,;16.98,-2.62,;15.65,-1.86,;14.33,-2.63,;13,-1.85,;13,-.29,;18.33,-4.93,;19.66,-4.15,;21,-4.92,;22.33,-4.15,;22.31,-2.6,;23.67,-4.91,;25,-4.12,;21,-6.46,;22.34,-7.23,;19.66,-7.25,;18.33,-6.48,;17,-7.25,;19.67,-8.79,;18.33,-9.55,;18.33,-11.09,;19.66,-11.86,;19.67,-13.41,;18.33,-14.18,;21,-11.09,;22.34,-11.85,;22.35,-13.4,;21,-9.55,;22.33,-8.78,)|

CC(Nc1cc(O)c2cccnc2c1O)C(=O)c1ccccc1

Oc1c(Cl)c(N=CCc2c[nH]c3ccccc23)c(O)c2ncccc12 |w:6.6|

Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12 |w:5.5|

O=C1C=CC(=O)c2ncccc12 |c:2|

ClC1=C(Cl)C(=O)c2ncncc2C1=O |c:1|

ClC1=C(Cl)C(=O)c2ncccc2C1=O |c:1|

OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)c2cccnc2C1=O |c:13|

Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6|

Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2cnncc12 |w:6.6|

OC(=O)C(Cc1c[nH]c2ccccc12)=Nc1c(O)c2ncccc2c(O)c1Cl |w:14.16|

Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2cccnc12 |w:6.6|

OS(=O)(=O)C(C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O)c1ccccc1

OS(=O)(=O)C(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1

OS(=O)(=O)C(C(=O)Nc1nc2ccccc2s1)c1ccccc1

OS(=O)(=O)C(C(=O)Nc1cnc2ccccc2c1)c1ccccc1

OS(=O)(=O)C(C(=O)Nc1ccc(cc1)N1CCOCC1)c1ccccc1

OS(=O)(=O)C(C(=O)Nc1ccc(cc1)-n1ccnc1)c1ccccc1

OS(=O)(=O)C(C(=O)Nc1ccc2nc([nH]c2c1)C(F)(F)F)c1ccccc1

OS(=O)(=O)C(C(=O)Nc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1

Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br

[#6]-c1cc(ccc1-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)o1)-[#6](-[#8])=O

OC(=O)c1cccc2C3C(Cl)C(CC3C(Nc12)c1ccc(F)cc1)Sc1ccccc1[N+]([O-])=O

OC(=O)c1cc(ccc1O)-c1ccc(\C=C2/Sc3ccccc3C2=O)o1

OC(=O)c1cccc2C3C(Cl)C(CC3C(Nc12)c1cccc(Br)c1)Sc1ccccc1[N+]([O-])=O

NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)c1ccc(\C=C\C=O)cc1

OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccccc2)C1=O

CC\C=C1/SC(=S)N(C1=O)c1cccc(c1)C(O)=O

OC(=O)c1cc(ccc1O)N1C(=S)S\C(=C/c2ccccc2)C1=O

Cc1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(O)=O)cc1

OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(F)cc2)C1=O

OC(=O)c1ccc(cc1O)N1C(=S)S\C(=C/c2ccccc2)C1=O

OC(=O)Cc1ccc(cc1)N1C(=S)S\C(=C/c2ccccc2)C1=O

OS(=O)(=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccccc2)C1=O

OC(=O)Cc1cccc(c1)N1C(=S)S\C(=C/c2ccccc2)C1=O

Cc1cc(ccc1N1C(=S)S\C(=C/c2ccccc2)C1=O)C(O)=O

OC(=O)c1cc(cc(c1)C(O)=O)N1C(=S)S\C(=C/c2ccccc2)C1=O

OC(=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccccc2)C1=O

OC(=O)c1ccc(CN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1

OC(=O)c1ccccc1N1C(=S)S\C(=C/c2ccccc2)C1=O

OC(=O)c1cccc(c1)-n1c([O-])c([CH+]c2ccc(cc2)[N+]([O-])=O)sc1=S

OP(O)(=O)Cc1ccc(cc1)N1C(=S)SC(=Cc2ccccc2)C1=O |w:16.17|

OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(O)cc2)C1=O

OC(=O)c1cccc(c1)N1C(=S)S\C(=C/C2CCCCC2)C1=O

COc1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(O)=O)cc1

OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(O)=O)cc1

CC(C)CC(C(=O)NC(CC(O)=O)c1ccccc1)c1ccc2c(cc(C(O)=O)n2c1)C#N

CC(C)C[C@H](NC(=O)c1ccc2c(cc(C(O)=O)n2c1)C#N)C(=O)NC(CC(O)=O)c1ccccc1

CC(C)C[C@H](NC(=O)c1ccn2c(cc(C#N)c2c1)C(O)=O)C(=O)NC(CC(O)=O)c1ccccc1

CC(C)CC(C(=O)NC(CC(O)=O)c1ccccc1)c1ccc(OCc2cccc3c(cc(C(=O)c4ccccc4)n23)C#N)cc1

CC(C)C[C@H](Oc1cccc2c(cc(C(O)=O)n12)C#N)C(=O)NC(CC(O)=O)c1ccccc1

CCOC(=O)c1cc(C#N)c2cccc(O[C@@H](CC(C)C)C(=O)NC(CC(O)=O)c3ccccc3)n12

CC(C)C[C@H](Oc1cccc2c(cc(C(=O)c3ccccc3)n12)C#N)C(=O)NC(CC(O)=O)c1ccccc1

COc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1

CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1

CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1cc(O)cc(O)c1

[#6]\[#6](-[#6])=[#6]/[#6][C@]12[#8]-c3cc(-[#8])c(-[#6@H]-4-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-4-[#6](=O)-c4ccc(-[#8])cc4-[#8])-c4ccc(-[#8])cc4-[#8])c(-[#8])c3-[#6](=O)[C@@]1([#8])[#8]-c1cc(-[#8])ccc21 |r,t:13|

CC1=C[C@@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c1O |t:1|

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6@H](-[#6@@H](-[#6]-1)-c1ccc(-[#8])cc1-[#8])-[#6](=O)-c1ccc(-[#8])cc1-[#8])-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc(-[#8])ccc1-[#8] |t:6|

CC1=C[C@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1 |t:1|

Cc1c(Br)cc(NC(=O)CS(O)(=O)=O)cc1Br

Cc1c(Br)cc(NC(=O)NS(O)(=O)=O)cc1Br

CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(O)=O

CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)C(O)=O

CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)c2ccccc2NC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)C(O)=O

OC(=O)c1ccc(CCNC(=O)c2cc(NC(=O)CCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc(NC(=O)CCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1

CC1(C)CC(CC(C)(C)N1[O])NC(=O)CCCC(=O)Nc1ccc(O)c(c1)C(O)=O |^1:10|

CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O |^1:10|

CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O |^1:10|

COC(=O)c1cc(NC(=O)CCCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)ccc1O |^1:22|

COC(=O)c1cc(ccc1O)-c1ccc(CNC2CC(C)(C)N([O])C(C)(C)C2)o1 |^1:23|

CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(O)c(c1)C(O)=O |^1:10|

CC1(C)CC(CC(C)(C)N1[O])NCc1ccc(o1)-c1ccc(O)c(c1)C(O)=O |^1:10|

[H][C@@]12C[C@H](CO)C[C@H](C)[C@@]1([H])[C@@]1([H])Oc3ccc(C[C@]4(O)NC(=O)[C@@]56C(=O)[C@]7([H])[C@]1([H])[C@@]2([H])C(C)=C[C@]7(C)[C@]5([H])C(C)=CC[C@]46[H])cc3 |r,c:37,46|

[H][C@@]12O[C@]1(C)[C@H](C)C1=C(C)[C@@]3([H])[C@]4([H])C[C@H](C)C[C@H](C)[C@@]4([H])[C@@]4([H])Oc5ccc(C[C@]6(O)NC(=O)[C@]7(O[C@@]67[H])C(=O)[C@@]([H])([C@]34[H])[C@@]21C)cc5 |r,c:8|

[H][C@]12Cc3ccc(O[C@]4([H])[C@]5([H])[C@@H](C)C[C@@H](CO)C[C@@]5([H])[C@]5([H])C(C)=C6[C@@H](C)C(C)=C[C@]6(C)[C@@]([H])(C(=O)[C@]1([H])C(=O)NC2=O)[C@@]45[H])cc3 |r,c:30,t:25|

[H][C@@]12C[C@H](C)C[C@H](C)[C@@]1([H])[C@]1([H])Oc3ccc(C[C@]4(O)NC(=O)C(=C4)C(=O)[C@]4([H])[C@]1([H])[C@@]2([H])C(C)=C1[C@@H](C)C(C)=C[C@]41C)cc3 |r,c:24,43,t:38|

[H][C@]12Cc3ccc(O[C@]4([H])[C@]5([H])[C@@H](C)C[C@@H](C)C[C@@]5([H])[C@]5([H])C(C)=C6[C@@H](C)C(C)=C[C@]6(C)[C@]([H])(C(=O)[C@]1([H])C(=O)NC2=O)[C@@]45[H])cc3 |r,c:29,t:24|

[H][C@]12Cc3ccc(O[C@]4([H])[C@]5([H])[C@@H](C)C[C@@H](C)C[C@@]5([H])[C@]5([H])C(C)=C6[C@@H](C)C(C)=C[C@]6(C)[C@@]([H])(C(=O)[C@]1([H])C(=O)NC2=O)[C@@]45[H])cc3 |r,c:29,t:24|

[H][C@@]12O[C@]11C(=O)N[C@@]2(O)Cc2ccc(O[C@]3([H])[C@]4([H])[C@@H](C)C[C@@H](C)C[C@@]4([H])[C@]4([H])C(C)=C5[C@@H](C)C(C)=C[C@]5(C)[C@@]([H])(C1=O)[C@@]34[H])cc2 |r,c:38,t:33|

[O-][V](=O)([O-])[O-]

CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(CCCCc1ccoc1)OS(O)(=O)=O |t:1|

CC(C)C(C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS(O)(=O)=O |c:7|

CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(OS(O)(=O)=O)C#C |t:1|

CCCCC(C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS(O)(=O)=O |c:8|

CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(CCc1ccccc1)OS(O)(=O)=O |t:1|

CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(O)Cc1ccccc1 |t:1|

CC(CCCc1ccoc1)C(C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS(O)(=O)=O |c:15|

CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(CCCCc1ccccc1)OS(O)(=O)=O |t:1|

OS(=O)(=O)OC(CCc1ccccc1)COCc1cccc2ccccc12

C[C@H](CCCc1ccoc1)[C@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O |c:15|

CC1=C(CC(CC(=O)c2ccccc2)C(C(O)=O)C(O)=O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 |c:1|

CC1Nc2ccccc2N1CC(CCc1ccccc1)OS(O)(=O)=O

C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(CCc1ccccc1)C(C(O)=O)C(O)=O

CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(Cc1ccccc1)OS(O)(=O)=O |t:1|

CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(CC=C)OS(O)(=O)=O |t:1|

OS(=O)(=O)OC(CCc1ccccc1)Cc1cccc2ccccc12

CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(O)CC=C |t:1|

CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCOS(O)(=O)=O |t:1|

CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(O)CCc1ccccc1 |t:1|

OS(=O)(=O)OC(COc1nc2ccccc2s1)Cc1ccccc1

OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCCCC2)-c2ccccc2)C1=O

OS(=O)(=O)CCn1nc(C=CCc2ccccc2)sc1=S |w:10.10|

[O-][N+](=O)c1ccccc1-c1ccc(\C=C\C(=O)Nc2ccc(cc2)-c2nc3ccccc3o2)o1

COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1

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

OC1=NC(=S)C(S1)=Cc1ccc(o1)-c1ccc(cc1)[N+]([O-])=O |w:7.8,t:1|

OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccccc2)C1=O

Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1

OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCOCC2)-c2ccccc2)C1=O

CCOC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(Br)cc1

S=C(Nc1ccc2c(c1)oc1ccccc21)Nc1cccc2ccccc12

COc1ccc(OC)c2C(=O)c3ccccc3C(=O)c12

Cc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1

OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O

Cc1cc(Br)c(cc1C)-c1ccc(\C=C2/NC(=S)NC2=O)o1

Clc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc[nH]2)C1=O |w:14.15|

Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccc(C(O)=O)c(Cl)c3)c12 |w:15.15|

COc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccc(I)o2)C1=O

Fc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccc(Br)o2)C1=O

Cc1ccc(C)n1-c1ccc(C(O)=O)c(O)c1

ClC1=C\C(=N/S(=O)(=O)c2ccc(Cl)cc2)C(Cl)=C(Cl)C1=O |t:1,17|

OC1(O)C(=O)c2cccc3c4ccccc4n(C1=O)c23

OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)o1 |w:15.16|

C=CCN1C(=S)NC(=O)\C(=C\C=C\c2ccco2)C1=O

Clc1ccc(cc1Cl)-c1ccc(\C=C\C(=O)\C=C\c2ccco2)o1

OC(=O)c1ccc(cc1)-c1ccc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Br)c2)o1 |w:13.13|

OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)-c2ccccc2)C1=O

OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3Cl)cc2)-c2ccccc2)C1=O

OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O

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

Cn1c(c(-c2cn(CCC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1

OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F

CCCCCCCCCCCCCCCC(=O)C1C(=O)O[C@H](COC(=O)C(C)[C@H](CC)OCCOC(=O)C2C(=O)O[C@H](CO)C2=O)C1=O |r|

CCCCC\C=C/C\C=C/CCCCCCCC(=O)O

CCCCC\C=C/C\C=C/CCCCCCCCC(O)=O

CCCCC\C=C/CCCCCCCCCCC(O)=O

CCCCC\C=C/C\C=C/CCCCCCC(O)=O

CCCCC\C=C/C\C=C/CCCCCCCCCCC(O)=O

CCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCC(O)=O

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O

CCCCCCCCCC(=O)OCC(O)CO

c1cc(c(cc1\C=C\C(=O)O)O)O

CCCCCCC(O)\C=C/C(O)C#CC#CC(O)C=C

CCCCCCCCCCCC(=O)OCC(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|

CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C |r,t:13|

OCc1ccc(O)cn1

[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12

Oc1ccc(Cc2ccc(OCP([O-])([O-])=O)cc2)cc1

OP([O-])(=O)COc1ccc2ccccc2c1

OP([O-])(=O)COc1cccc2c1ccc1ccccc21

OP([O-])(=O)COc1cccc2ccccc12

[O-]P([O-])(=O)COc1ccccc1

OC(=O)Cc1ccc(OCP([O-])([O-])=O)cc1

OC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4cccc5ccccc45)nn3)c(oc2cc1O)-c1ccccc1

CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|

CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|

CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(C)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|

CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|

CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1 |c:5,t:8|

CCCCc1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1

COc1ccc(cc1)N1CCN(CC1)C(C(C)NC(=O)C(=O)NCc1ccco1)c1cccs1

CC(NC(=O)C(=O)NCc1cccnc1)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1

OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O

OC(=O)CCc1cccc(c1)[Sb](O)(O)=O

CCCCCCCCCCCCCCCC(NCc1ccccc1)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1cccc(C)c1)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1cccc(Cl)c1)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1cccc(F)c1)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1cccc(O)c1)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1cccc(OC)c1)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1cccc(c1)N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccc(Cl)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccc(F)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccc(O)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccc(OC)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccc(cc1)N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccccc1C)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccccc1Cl)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccccc1F)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccccc1OC)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccccc1N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|

CCCCCCCCCCCCCCCC(NCc1ccc(C)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|

OC(=O)C=Cc1ccc(C=C2SC(NCCCCCCCNC3=NC(=O)C(S3)=Cc3ccc(C=CC(O)=O)cc3)=NC2=O)cc1 |w:4.4,34.35,28.29,9.8,c:41,t:22|

Oc1ccc(C=C2SC(NCCCCCCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)cc3)=NC2=O)cc1 |w:5.4,26.27,c:35,t:20|

Oc1ccc(C=C2SC(NCCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)cc3)=NC2=O)cc1 |w:5.4,22.23,c:31,t:16|

OC(=O)c1cc2c(CCc3ccc(Oc4ccccc4)cc3)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(CCc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(CCc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(CCc3cccc(F)c3)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(\C=C/c3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(\C=C/c3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(C#Cc3ccc(Oc4ccccc4)cc3)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(C#Cc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(C#Cc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(C#Cc3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(C#Cc3ccc(F)cc3F)c(oc2cc1O)-c1ccccc1

COc1cccc(c1)C#Cc1c(oc2cc(O)c(cc12)C(O)=O)-c1ccccc1

OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(C#Cc3cccc(F)c3)c(oc2cc1O)-c1ccccc1

OC(=O)c1cc2c(C#Cc3ccccc3)c(oc2cc1O)-c1ccccc1

OCC#Cc1c(oc2cc(O)c(cc12)C(O)=O)-c1ccccc1

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C#Cc1c(oc2cc(O)c(cc12)C(O)=O)-c1ccccc1 |r,t:8|

OC(=O)c1cc2c(C#C)c(oc2cc1O)-c1ccccc1

COc1ccc(cc1)C(=O)CCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1ccc(\C=C\C(=O)c2ccc(cc2)C#N)cc1

Cc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O

CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O

CCCCCCCCCCCCCCC\C(NCc1cccc(C)c1)=C1\C(=O)OC(CO)C1=O

Cc1cccc(CN\C(CCCCc2ccccc2OCc2ccccc2Cl)=C2/C(=O)OC(CO)C2=O)c1

Cc1cccc(CN\C(CCCCc2ccccc2OCc2cccc(Cl)c2)=C2/C(=O)OC(CO)C2=O)c1

Cc1cccc(CN\C(CCCCc2ccccc2OCc2ccc(Cl)cc2)=C2/C(=O)OC(CO)C2=O)c1

Cc1cccc(CN\C(CCCCc2cccc(OCc3ccccc3Cl)c2)=C2/C(=O)OC(CO)C2=O)c1

Cc1cccc(CN\C(CCCCc2cccc(OCc3cccc(Cl)c3)c2)=C2/C(=O)OC(CO)C2=O)c1

Cc1cccc(CN\C(CCCCc2cccc(OCc3ccc(Cl)cc3)c2)=C2/C(=O)OC(CO)C2=O)c1

Cc1cccc(CN\C(CCCCc2ccccc2OCc2ccccc2)=C2/C(=O)OC(CO)C2=O)c1

Cc1cccc(CN\C(CCCCc2ccccc2OCc2ccc(cc2)C(F)(F)F)=C2/C(=O)OC(CO)C2=O)c1

Cc1cccc(CN\C(CCCCc2ccccc2OCc2ccc(cc2)[N+]([O-])=O)=C2/C(=O)OC(CO)C2=O)c1

Cc1cccc(CN\C(CCCCc2ccc(OCc3ccccc3Cl)cc2)=C2/C(=O)OC(CO)C2=O)c1

Cc1cccc(CN\C(CCCCc2ccc(OCc3cccc(Cl)c3)cc2)=C2/C(=O)OC(CO)C2=O)c1

Cc1cccc(CN\C(CCCCc2ccc(OCc3ccc(Cl)cc3)cc2)=C2/C(=O)OC(CO)C2=O)c1

COc1ccc(Sc2cccc(CN(C)c3cc(nc4cc(Cl)cc(Cl)c34)C(O)=O)c2)cc1

CCOC(=O)C1=C(C)N=c2s\c(=C\c3ccc(OCc4ccc(cc4)C(O)=O)cc3)c(=O)n2C1c1ccc(cc1)N(C)C |c:5,t:8|

Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1

CCN1C(=O)N\C(=C\c2ccc(OCc3ccc(cc3)C(O)=O)c(I)c2)C1=O

CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1

CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)C(c3ccccc3)S(O)(=O)=O)cc2)cc1

OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)cc1)c1ccccc1

OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1

NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8|

C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCc1ccoc1)C=C1OC(=O)C(C)C1=O |r,w:22.23|

C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1 |r|

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|

C[C@@H](CCC\C(C)=C\CC\C(C)=C\CCc1ccoc1)\C=C1/OC(=O)C(C)=C1O |r,c:27|

C[C@@H](CCCc1ccoc1)C[C@H](C\C(C)=C\CCc1ccoc1)OC(C)=O |r|