Compound Name

SMILES String

CCOC(=O)c1c2CCCc2c(=S)sc1N

Clc1cccc(c1)S(=O)(=O)Nc1nc2ccccc2nc1NCCN1CCOCC1

Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)no1

Cc1nn(-c2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1

Clc1cccc(NC(=O)CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)c1

CCOC(=O)C1=C(C)N=C(SCc2cc(=O)[nH][nH]2)C(C#N)C1c1cccs1 |c:5,t:8|

Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)c1C

C=CCSC1=N\C(=C/C=C/c2ccco2)C(=O)S1 |t:4|

[H]C12CCCC([H])(CC(C1)NC(=O)N(CC)CC)N2Cc1ccccc1

CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|

CCOC(=O)C1=C(C)N=c2s\c(=C3\C(=O)Nc4ccccc34)c(=O)n2C1c1ccc(C)cc1 |c:5,t:8|

CC(=O)CSc1nsc(SCC(C)=O)c1C#N

Cc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(o1)-c1ccc(C)c2ccccc12

Nc1nc(SCc2nnc(SCC(O)=O)n2-c2ccccc2)nc2sc3CCCCc3c12

Cc1nc2c(c[nH]n2c(=O)c1Cl)C(=O)NCCc1ccccc1Cl

Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1

COC(=O)c1c(NS(=O)(=O)c2ccc3ccccc3c2)sc2CCCCc12

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

OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1

CCOC(=O)c1c(NS(=O)(=O)Cc2ccccc2)sc2CCCCc12

CCC(C)[C@H](Nc1nc(nc2c3ccccc3oc12)-c1ccccc1)C(O)=O

CC1CCc2c(C1)sc1nc(CN3CCOCC3)nc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c21

CSc1nnc(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccc4ccccc4c3)c2=O)c(=O)[nH]1 |w:12.12|

CCCCNC(=O)c1onc(CSc2cccc3ccccc23)c1C(O)=O

OC(=O)CSc1nc(SCc2ccccc2Cl)nc2CCCCc12

CCOC(=O)c1ccccc1-c1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1

CCCOc1ccc(cc1)-n1c(O)cc(SC(=N)NN=C(C)c2cccs2)c1O |w:19.19|

Clc1cccc(c1)-c1ccc(\C=C2/N=C(OC2=O)c2cccs2)o1 |c:14|

CC(=NNC(=N)Sc1cc(O)n(c1O)-c1cccc(Cl)c1)c1cccs1 |w:2.2|

OC(=O)c1cccc(CSc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)c1

ClC(C=Nn1c(COc2ccccc2)n[nH]c1=S)=Cc1ccccc1 |w:3.3,18.20|

CC(C)CNC(=S)NNC(=O)c1cc(nc2ccccc12)-c1cc(C)ccc1C

Cc1ccc(c(C)c1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c2ccccc2n1

COc1cc(\C=C2\C(=O)NN(C2=O)c2cccc(C)c2)ccc1OC(=O)c1ccco1

CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O

Cc1ccc(NN=C(Sc2nnnn2-c2ccccc2)C(=O)c2ccccc2)cc1 |w:6.5|

O=C(NNC=C1C(=O)NC(=S)N(CCC2=CCCCC2)C1=O)c1ccccc1 |w:4.3,t:14|

Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(Br)cc3)cc2)n1

OC(=O)CCCCCN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O

COc1cc(NS(=O)(=O)c2ccc(NC(=O)C(\NC(=O)c3ccccc3)=C\c3ccccc3Cl)cc2)nc(OC)n1

Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Br)cc1C(NCC(O)=O)c1ccccc1

CC(C)(C)C1C\C(=C\c2ccco2)C(=O)\C(C1)=C\c1ccco1

CC(C)CSC1=NSC2=NC(=O)\C(=C/c3cccs3)C(=N)N12 |t:5,8|

CCc1nnc(NS(=O)(=O)c2ccc(cc2)N=CCC(=O)c2ccc(C)cc2)s1 |w:16.16|

CCCCN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O

O=C1N=C(Nc2ccccc2)SC1=CC=Cc1ccco1 |w:13.15,15.17,t:2|

CCOc1cc(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)ccc1OCC(O)=O

OC(=O)c1cc(nc2nc(sc12)N1CCCCC1)-c1cccc(Cl)c1

O=C(CSc1nnc(SCc2ccccc2)s1)NNC(=S)Nc1ccccc1

Clc1ccccc1Cc1cnc(s1)N1C(=N)SC(C1=O)c1ccccc1

OC(=O)C(=C/c1ccc(Br)cc1)\c1ccc(s1)S(=O)(=O)N1CCCCC1

COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|

CCc1cccc2c(C=NNC(=O)c3cccc(c3)S(=O)(=O)Nc3ccccc3Cl)c[nH]c12 |w:9.9|

Clc1cccc(NN=C2C(=O)Nn3c2nc2CCCc2c3=O)c1

COc1cc(CN=Nc2cccc(c2)C(O)=O)c(Br)c(Br)c1OCC=C |w:7.7|

COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccco3)C2=O)ccc1OC(C)C(O)=O

Cc1sc(NC(=O)C2CC(C)=C(C)CC2C(O)=O)nc1-c1ccc(C)cc1C |t:10|

COc1ccc(cc1)-c1cc(C)nc(SCc2cccc(c2)C(O)=O)n1

Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1

COc1ccc(cc1NC(=S)NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(O)=O

Cc1nc(NS(=O)(=O)c2ccc(C)cc2)sc1C(=O)N\N=C\c1ccccc1

COc1ccc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)cc1

CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)s1

COc1ccc(cc1)-c1cc([nH]n1)C(=O)NNC(=S)NC(=O)c1c(C)onc1-c1ccccc1

COC1=CC(=Cc2c([nH]n(-c3ccc(NC(C)=O)cc3)c2=O)-c2ccccc2)C=CC1=O |w:5.5,c:31,t:2|

OC(=O)CCCc1sccc1N=Nc1c(O)ccc2ccccc12 |w:11.11|

CN1C(=O)C(=NNc2cccc(c2)C(O)=O)c2cc(C)ccc12 |w:5.5|

OCCCNc1ncc2c(n1)c(=O)c(C#N)c1[nH]c3ccccc3c(=O)n21

Brc1cccc(c1)-c1cc([nH]c(=O)c1C#N)-c1ccco1

Brc1ccc(s1)C(=O)NNC(=S)NCCc1ccccc1

CCCc1cc2c(cc(=O)oc2cc1OCc1ccc(o1)C(O)=O)-c1ccccc1

Cc1ccc(cc1)-c1nn(CCC(O)=O)cc1\C=C/C(=O)c1ccc(Br)cc1

CCOC(=O)c1c(NC(=O)\C=C\C(O)=O)sc(C)c1-c1ccc(cc1)C(C)(C)C

[H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc2CCCCc2c1C(=O)OCC |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|

Cc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\c1ccccc1 |t:12|

CCCSC1=N\C(=C/c2ccc(o2)[N+]([O-])=O)C(=O)S1 |t:4|

CCCCOc1cccc(c1)C(=O)NC(=S)Nc1ccc(Cl)c(c1)C(O)=O

Cc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(c1)C(O)=O

OC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1

CCOc1cc(\C=C2\SC(=S)N(CC(O)=O)C2=O)ccc1OC(=O)c1cccs1

CC(C)C(N1C(=S)S\C(=C/C(/C)=C/c2ccccc2)C1=O)C(O)=O

COc1cccc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c1

COc1cc(\C=C2\SC(=S)N(CC(O)=O)C2=O)ccc1OC(=O)c1cccs1

OC(=O)CC(NC(=O)c1sc2ccccc2c1Cl)c1ccc(OC2CCCC2)cc1

Oc1cc(SC(=N)NN=Cc2cccs2)c(O)n1-c1ccc(Br)cc1 |w:8.7|

Cc1ccc(NC(=S)N(Cc2ccc(Br)cc2)Cc2ccc(cc2)C(O)=O)cc1C

Cc1ccc(NC(=S)N(Cc2ccc(Cl)cc2)Cc2ccc(cc2)C(O)=O)cc1Cl

Cc1ccc(NC(=S)N(CC2CCC(CC2)C(O)=O)Cc2cccc(Br)c2)cc1Cl |(5.75,-6.93,;5.75,-5.39,;7.08,-4.62,;7.08,-3.08,;5.75,-2.31,;5.75,-.77,;7.08,,;8.41,-.77,;7.08,1.54,;8.41,2.31,;9.75,1.54,;11.08,2.31,;12.42,1.54,;12.42,,;11.08,-.77,;9.75,,;13.75,-.77,;15.08,,;13.75,-2.31,;5.75,2.31,;5.75,3.85,;7.08,4.62,;7.08,6.16,;5.75,6.93,;4.41,6.16,;3.08,6.93,;4.41,4.62,;4.41,-3.08,;4.41,-4.62,;3.08,-5.39,)|

CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)s1

COc1ccc(cc1)-c1cnn(c1N)-c1nc(c(CC(O)=O)s1)-c1ccccc1

Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccccc3C(O)=O)c12

Nc1cccc2[nH]c(nc12)C(F)(F)F

Cc1ccc(-c2ccc([CH+]c3c(C)[c-](C#N)c(=O)[nH]c3=O)o2)c(c1)[N+]([O-])=O

COc1cc(\C=C2/SC(=O)NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O

CC(C)S(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(o3)-c3cccc(c3)C(O)=O)C(=N)N12 |t:6,9|

COc1ccc(NC(=O)c2c(C)c(sc2NC(=O)CCC(O)=O)-c2ccccc2)cc1

OC(=O)c1ccc(cc1)-n1c(O)cc(SC(NCc2ccc3OCOc3c2)=Nc2ccc(F)cc2)c1O |w:27.30|

CS(=O)(=O)c1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:14|

CCCCCCCCCCCC(=O)c1c(O)cccc1O

Cc1c(Br)c(O)c(Br)c2sc(=O)oc12

COc1ccc(CN2C(=O)C(=CNNC(=O)c3cccnc3)c3ccccc3C2=O)cc1 |w:11.11|

Cc1nn(CCc2nnn[nH]2)c2nc(cc(c12)C(F)(F)F)-c1ccc(Br)cc1

CC(C)c1ccc(cc1)-c1csc(NC(=O)c2cccs2)c1C(O)=O

OC(=O)c1ccc(NC(=O)\C=C\c2cn(nc2-c2ccccc2)-c2ccccc2)cc1

OC(=O)CC\C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1nc2ccccc2s1

Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)cc2)c1C

CCOc1ccc(-c2csc(NC(=O)CSCC(O)=O)n2)c2ccccc12

OC(=O)Cc1sc(Nc2ccc(Cl)cc2)nc1-c1cccs1

Cc1nn(-c2cccc(C)c2)c2nc(cc(C(O)=O)c12)-c1cccs1

COC(=O)Cn1c(=O)c2C(=O)C(Nc2n(Cc2ccccc2)c1=O)=Cc1ccc(OC)cc1 |w:24.27|

O=C(CSc1ncnc2sccc12)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N

CSCC[C@@H](Nc1nc(nc2c3ccccc3oc12)-c1ccccc1)C(O)=O

OC(=O)c1cc(sc1NC(=O)c1ccccc1)-c1ccccc1

OC(=O)COc1ccccc1\C=N\NC(=O)c1cc(nc2ccccc12)-c1ccc(Cl)cc1

OC(=O)C(Sc1nc2CCCCc2c(-c2cccs2)c1C#N)c1ccccc1

[O-]C(=O)c1ccn2c(C(=O)c3ccc(Cl)cc3)c(cc2c1)-c1ccccc1

Cc1cc(\C=C2\C(=O)N=C3SC(=NN3C2=N)c2ccco2)c(C)n1Cc1ccccc1 |c:11,t:8|

CCC(N1C(=S)S\C(=C/C(/C)=C/c2ccccc2)C1=O)C(O)=O

CSc1nc2[nH]c(=S)[nH]c2c(=S)[nH]1

c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl

Clc1cccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)c1 |w:7.7|

CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1

OC(=O)\C=C\c1cn(nc1-c1cc2ccccc2o1)-c1ccccc1

CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:15,18,t:13|

Cc1onc(c1C(=O)NC(=S)NNC(=O)c1cc(n[nH]1)-c1ccc(F)cc1)-c1ccccc1

COC(=O)c1sc(SC)c(c1NN=C(C#N)C(=O)c1ccccc1)S(=O)(=O)C(C)C |w:12.12|

O=C1CC(=O)N(Cc2ccccc2)C(=O)N1CCCCCCN1C(=O)CC(=O)N(Cc2ccccc2)C1=O

COC(=O)c1sc(cc1NC(=O)COCC(O)=O)-c1ccc(Cl)cc1

FC(F)(F)c1ccccc1NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1 |w:24.24|

[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|

NC(=O)c1sc(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)-c1ccsc1

Clc1ccc(NC(=S)NNC(=O)CN2c3ccccc3Sc3ccccc23)cc1

COC(=O)c1sc(cc1NC(=O)COCC(O)=O)-c1ccc(cc1)C(C)(C)C

CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)s1

Cc1ccccc1OCC(=O)Nc1cc(NC(=O)COc2ccccc2C)cc(c1)C(O)=O

Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br |w:10.10|

OC(=O)c1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)Cc1ccc(Cl)cc1

Cc1ccnc(OC(C(O)=O)C(OCc2ccccc2)(c2ccccc2)c2ccc(cc2)C(F)(F)F)n1

COc1c(\C=C2/S\C([N-]C2=O)=[NH+]\c2ccccc2Cl)cccc1[N+]([O-])=O

Oc1c(\C=C2/S\C([N-]C2=O)=[NH+]\c2ccccc2Cl)cccc1[N+]([O-])=O

OC(=O)CCSc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1

OC(=O)C(Sc1nc(cc(c1C#N)C(F)(F)F)-c1cccs1)c1ccccc1

COc1cccc(c1)-c1coc2c(C)c3oc(=O)c(CCC(O)=O)c(C)c3cc12

Cc1c(CC(O)=O)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12

OC(=O)CN1C(=S)S\C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O

CCOc1cc(C=Cc2nc(O)c([N+]([O-])=O)c(=O)[nH]2)ccc1OC(C)CC |w:6.5|

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

OC(=O)c1ccccc1NC(c1ccccc1)c1ccc(Cl)cc1

OC(=O)c1cc(O)ccc1NC(=O)CCN1C(=S)S\C(=C/c2ccco2)C1=O

OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O

OC(=O)c1sc(cc1NC(=O)c1cccc(F)c1)-c1ccccc1

CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)s1

Oc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccc(O)cc1

COc1ccccc1-n1c(SCC(O)=O)nc2n(-c3ccc(C)c(C)c3)c(=S)sc2c1=O |(3.08,-.08,;4.41,-.85,;4.41,-2.39,;3.08,-3.16,;3.08,-4.7,;4.41,-5.47,;5.75,-4.7,;5.75,-3.16,;7.08,-2.39,;7.08,-.85,;5.75,-.08,;5.75,1.46,;4.41,2.23,;4.41,3.77,;3.08,1.46,;8.41,-.08,;9.75,-.85,;11.21,-.38,;11.68,1.08,;10.66,2.23,;11.13,3.69,;12.64,4.01,;13.12,5.47,;13.67,2.86,;15.18,3.18,;13.19,1.4,;12.1,-1.62,;13.64,-1.62,;11.21,-2.86,;9.75,-2.39,;8.41,-3.16,;8.41,-4.7,)|

CC(C)c1ccc(C)cc1OCCSc1nc2ccccc2n1CC(O)=O

Clc1ccc(NC(=O)C(C#N)C(=S)Nc2ccccc2)cc1

Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)c(O)c1O |w:7.7|

CCOC(=O)c1ccccc1NC(=O)c1ccc2c(SCC(O)=O)c3CCCCc3nc2c1

Nc1ncc(Br)cc1S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)COc2ccc(F)cc2)s1

Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1

OC(=O)c1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1cccc(c1)C(F)(F)F

CCc1ccc(NC(=O)C(C)Sc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1

Oc1ccc(cc1\C=C1/SC(NS(=O)(=O)c2ccccc2)=NC1=O)[N+]([O-])=O |c:22|

Cc1ccc(o1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1

CC(C)(C)OC(=O)N1CCC(Cc2cc(no2)-c2cccc(Br)c2)(CC1)C(O)=O

CCc1ccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)c(Br)c1

Cc1c(OCC(=O)N[C@@H](Cc2ccccc2)C(O)=O)ccc2c(C)c(Cc3ccccc3)c(=O)oc12

CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC(Cc3ccc(Cl)cc3)C(O)=O)c12

Cc1c(CCC(=O)N2CCC[C@H]2C(O)=O)c(=O)oc2c(C)c3oc4CCCCc4c3cc12

CC(C)c1ccc(cc1)C1c2[nH]c3ccccc3c2Cc2c(O)n(-c3ccccc3C(=O)N3CCC[C@@H]3C(O)=O)c(=O)n12 |wD:36.41,(3.08,2.45,;4.41,3.22,;4.41,4.76,;5.75,2.45,;7.08,3.22,;8.41,2.45,;8.41,.91,;7.08,.14,;5.75,.91,;9.75,.14,;9.75,-1.4,;8.61,-2.43,;9.24,-3.82,;8.57,-5.27,;9.49,-6.57,;11.08,-6.4,;11.72,-4.94,;10.76,-3.67,;11.08,-2.17,;12.42,-1.4,;12.42,.14,;13.55,1.17,;15.06,.85,;12.93,2.57,;13.7,3.9,;12.93,5.23,;13.7,6.57,;15.24,6.57,;16.01,5.23,;15.24,3.9,;16.68,3.37,;16.95,1.86,;17.86,4.36,;17.76,5.9,;19.18,6.48,;20.17,5.3,;19.36,3.99,;19.94,2.56,;21.46,2.35,;18.99,1.35,;11.4,2.41,;10.38,3.55,;11.08,.91,)|

CC(C)c1ccc(cc1)C1c2[nH]c3ccccc3c2Cc2c(O)n(-c3ccccc3C(=O)N3CCC[C@H]3C(O)=O)c(=O)n12 |wU:36.41,(3.08,2.45,;4.41,3.22,;4.41,4.76,;5.75,2.45,;7.08,3.22,;8.41,2.45,;8.41,.91,;7.08,.14,;5.75,.91,;9.75,.14,;9.75,-1.4,;8.61,-2.43,;9.24,-3.82,;8.57,-5.27,;9.49,-6.57,;11.08,-6.4,;11.72,-4.94,;10.76,-3.67,;11.08,-2.17,;12.42,-1.4,;12.42,.14,;13.55,1.17,;15.06,.85,;12.93,2.57,;13.7,3.9,;12.93,5.23,;13.7,6.57,;15.24,6.57,;16.01,5.23,;15.24,3.9,;16.68,3.37,;16.95,1.86,;17.86,4.36,;17.76,5.9,;19.18,6.48,;20.17,5.3,;19.36,3.99,;19.94,2.56,;21.46,2.35,;18.99,1.35,;11.4,2.41,;10.38,3.55,;11.08,.91,)|

Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2)c1C

CCC(NNC(=O)c1ccccc1O)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O |w:14.29|

CC(NNC(=O)c1ccccc1O)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O |w:1.0|

Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)ccc1Cl

COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(F)c(F)c3)cc2)nc(OC)n1

COc1ccc(OCC(=O)Nc2ccc(cc2)C(=O)Nc2ccccc2C(O)=O)cc1

Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccc(Cl)c1

COC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(cc1)[N+]([O-])=O

c1ccc2c(c1)cccc2OCC(=O)Nc3cc(ccc3C(=O)O)Cl

OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1

CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)cc2oc1=O

COc1cc(NC(=O)c2cc(cs2)S(=O)(=O)N(C)c2ccccc2)c(cc1OC)C(O)=O

CCCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1nc(C)c(s1)C(C)=O

[H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]1([H])CC[C@](O)(CC)[C@H](C)O1)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C([O-])=O

FC(F)(F)c1ccccc1NC(=O)CSC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 |t:16|

COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c2=O)cc1

CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccc(c4)[N+]([O-])=O)cc3)sc2c1

Clc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccco1

Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccccc4s3)sc12

OC(=O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1

CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3

CCOc1ccc(cc1)[C@@H]1CC=C([C@@H](N1S(=O)(=O)c1ccc(C)cc1)c1cccc(Cl)c1)C(O)=O |c:12|

Cc1ccc(cc1)S(=O)(=O)N1[C@@H](CC=C([C@@H]1c1ccccc1)C(O)=O)c1ccc(Cl)cc1 |c:14|

COc1ccc(cc1)[C@@H]1CC=C([C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1)C(O)=O |c:11|

Cc1ccccc1S(=O)(=O)N1[C@@H](CC=C([C@@H]1c1ccc(F)cc1)C(O)=O)c1ccc(Cl)cc1 |c:14|

c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

OC(=O)C1CCCN1c1nc(cc(n1)C(F)(F)F)-c1ccc(Cl)c(Cl)c1

COc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C

Clc1cccc(c1)-c1nc(no1)-c1ccc(cc1)-c1nnn[nH]1

CN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2C(O)=O)cc1)S(=O)(=O)c1ccc(F)cc1

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O[C@@H]4OC([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(C)(C)C3CC[C@@]12C)C(=O)O[C@@H]1OC(CO)[C@@H](O)[C@H](O)[C@H]1O |t:15|

Fc1ccc(NC(=O)COc2ccccc2C=C2SC(S)=NC2=O)cc1 |w:16.16,c:21|

CC(=O)C1C(N(C(=O)C1=O)c1cc(on1)C(C)(C)C)c1ccc(Br)cc1

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

Cc1ccc(cc1)[C@@H]1CC=C([C@@H](N1S(=O)(=O)c1ccccc1C)c1ccc(Cl)cc1)C(O)=O |c:10|

Cc1ccc(cc1)S(=O)(=O)N1[C@@H](CC=C([C@@H]1c1ccc(cc1)C(C)(C)C)C(O)=O)c1cccs1 |c:14|

Cc1ccc(cc1)[C@@H]1N([C@H](CC2CCCC2)C=C1C(O)=O)S(=O)(=O)c1ccc(C)cc1 |c:18|

Cc1ccc(cc1)S(=O)(=O)N1[C@H](CC2CCCC2)C=C([C@@H]1c1ccc(Br)cc1)C(O)=O |c:20|

COc1cc(\C=C2/SC(NS(=O)(=O)c3ccccc3)=NC2=O)c(cc1OC)[N+]([O-])=O |c:19|

c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1

N=C1C(C#N)C(c2ccco2)C(C#N)=c2sc(=Cc3ccco3)c(=O)n12 |w:17.18,t:14|

FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccc(cc1)C#N)C(F)(F)F |c:5|

Fc1ccc(cc1)N=C(SCc1cccc(Br)c1)C(C#N)C#N |w:7.7|

Clc1ccc(Cl)c(c1)-c1ccc(o1)C1NC(=O)C(C#N)C(=S)N1c1ccccc1

O=c1c2c(nc3[nH]nc(SCC#N)n13)-c1ccccc1CC21CCCC1

CSc1nc(NCCOCCO)c2sc3nc(c4CCCc4c3c2n1)-c1ccco1

CSc1nc(SCCO)c2sc3nc(-c4ccco4)c4COC(C)(C)Cc4c3c2n1

COc1ccc(cc1)C(=O)Nc1cccc(\C=C(\CCC(O)=O)c2nc3ccccc3s2)c1

Fc1ccc(cc1)C(NS(=O)(=O)c1ccccc1)=Nc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1Cl |w:18.20|

OC(=O)c1ccc(NN=CC2=C(N3CCOCC3)C(CC2)=Cc2ccccc2)cc1 |w:8.7,21.23,c:10|

Oc1c(Cl)cccc1Cc1cc(Cl)cc(Cl)c1O

CC(OC(C)=O)C1C2=C(C(=O)CC1(C)O)C(=O)c1c(O)c(ccc1C2=O)-c1ccc2C(=O)C3=C(C(=O)CC(C)(O)C3C(C)OC(C)=O)C(=O)c2c1O |c:7,t:35|

CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(Cl)cc1

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

NCc1csc(NC(=O)Nc2cccc(c2)C(F)(F)F)n1

CC1(CCN1C(=O)c1ccccc1CCc1ccccc1)C(=O)NS(=O)(=O)c1ccc(Cl)s1

CC1(CCN1C(=O)C\C=C\c1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C(F)(F)F

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

FC(F)Oc1cccc(c1)S(=O)(=O)NC(=O)Cn1cc(COc2ccc3ccccc3c2)nn1

c1coc(c1)-c1ccc2nncn2c1

CC1(CCN1C(=O)C1(CCC1)c1ccc(Cl)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

CC(C)c1ccc(CC(=O)N2CCC2(C)C(=O)NS(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1

OC(=O)CN1C(=S)S\C(=C\c2ccccc2OCc2ccccc2)C1=O

CC1(CCN1C(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NS(=O)(=O)Cc1cccc(Cl)c1

CC1(CCN1C(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NS(=O)(=O)c1ccc2OCCc2c1

COc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(OC)c(OC)c1

Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(nc12)-c1ccc(F)cc1

CCCCNC(=O)c1nc(oc1-c1ccccc1)C1CCN(CC1)S(=O)(=O)c1csc(c1)C(O)=O

C1CCC(CC1)Nc1c(nc2cnccn12)-c1ccc(SC2CCCCC2)cc1

Oc1c(Cl)cc(Cl)cc1S(=O)c1cc(Cl)cc(Cl)c1O

OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O

COc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)nnc1-c1cccs1

CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)cc1

[H][C@]12C[C@@H](OC3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2 |t:16,18,20,22,24,26,28|

OC(=O)[C@H](Cc1ccccc1)N(CC(=O)OCc1ccc(cc1)C(=O)NCc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc12

C=CCNc1c2cc(ccc2ncn1)Br

Brc1ccc2ncnc(NCc3ccccc3)c2c1

CCCNc1ncnc2ccc(Br)cc12

CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-c1ccnc(O)c1

CCN1CCC(CC1)c1cc(C)c2nc(cc(=O)n2c1)-c1ccc2nn(C)cc2c1

CCN1CCC(CC1)c1cc2c(F)cc(cc2nn1)-c1cc(C)c2nc(C)cn2n1

Cc1cc(O)c(C)c2sc(N)nc12

CN(C)c1nc2ccc(O)cc2s1

[H][C@@]1(CC[C@@H](CC1)C(=O)N(C)c1ccncc1)[C@@H](C)N |r,wU:17.20,wD:4.7,1.0,(3.33,-2.69,;3.33,-1.15,;2,-1.92,;.66,-1.15,;.66,.39,;2,1.16,;3.33,.39,;-.67,1.16,;-.67,2.7,;-2,.39,;-2,-1.15,;-3.34,1.16,;-4.67,.39,;-6,1.16,;-6,2.7,;-4.67,3.46,;-3.34,2.7,;4.67,-1.92,;6,-1.15,;4.67,-3.46,)|

Cc1cccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)c1

Cc1ccccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1

CCCc1cc(OC(=O)c2ccccc2F)n(n1)-c1cccc(F)c1

Nc1nc(cs1)C(=O)N1N=C2CCCCC2C1(O)C(F)(F)F |t:10|

CCOC(=O)[C@@H](N)CCCNC(N)=N |r|

Nn1cnc2-c3ccccc3CC3(CCCC3)c2c1=O

C\C(Nc1cccc(O)c1)=C\C(=O)c1ccc(Cl)cc1

Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br

CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)C1=Nc2cc(I)ccc2CN1Cc1ccccc1 |r,t:19|

COC(=O)c1ccc(cc1)C(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1ccccc1

Cn1cc2cc(cc(F)c2n1)-c1ccc(c(O)c1)-c1cnc(nn1)N1CCNC(CO)C1

Oc1cc(ccc1-c1cnc(nn1)N1CCN[C@H](C1)C1CC1)-c1c[nH]nc1F |r|

CC1CN(CCN1)c1ncc(nn1)-c1ccc(cc1O)-c1cc(F)c2nn(C)cc2c1

CCC1CN(CCN1)c1ncc(nn1)-c1ccc(cc1O)-c1cc(F)c2nc(C)cn2c1

CC(C)[C@H]1CN(CCN1)c1ncc(nn1)-c1ccc(cc1O)-c1cn2cc(C)nc2cn1 |r|

Cn1nc2cc(cnc2n1)-c1ccc(c(O)c1)-c1cnc(nn1)N1CCN[C@H](C1)C1CC1 |r|

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O