Compound Name

SMILES String

Clc1cccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)c1

COc1c(O)cccc1-c1nnn(CCC(=O)OCC(=O)c2ccccc2)n1

CN(C)c1ccc(cc1)N=Cc1nc(oc1O)-c1ccccc1 |w:9.9|

CN1CCC2(CC1)C1CN(C)CCC1=C(C#N)C(=N)C2(C#N)C#N |t:15|

COc1ncnc2SC3=C(N)CC(C)(C)CC3=Nc12 |c:8,17|

CNC(=O)N(O)C1N(C)C(=O)N(CC(=O)OC)C1(C)C

OC(Cn1c2ccccc2n(Cc2ccccc2)c1=N)c1ccco1

CCN1C(=S)S\C(=C/N2CCc3ccccc23)C1=O

CCn1nc(-c2ccccc2)c2nc3ccccc3nc12

CCOc1ccc2ccccc2c1CNCCN1CCOCC1

Cn1cnnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1

CCn1c(=O)c(C(=O)CN2CCCc3ccccc23)c(N)n(Cc2ccccc2)c1=O

CC(C)c1nnc(SCC(=O)c2cc(C)ccc2C)[nH]1

Cc1cc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)no1

CC(=O)c1ccc2cccc3nc(C)[nH]c1c23

N=c1oc2c3CCCN4CCCc(cc2cc1C(=O)Nc1ccccc1)c34

CC(=O)Nc1ccc(cc1)N=Cc1nc(oc1O)-c1ccc(C)cc1 |w:10.10|

[O-]N1C2=C(CCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12 |t:2|

O=C(CSc1nnc(CNC(=O)c2ccco2)o1)N1CCCCCC1

OC1CS(=O)(=O)CC1NC(=O)Nc1ccccc1

COc1ccc2nc(C)c3cc(C)oc3c2c1

CCOC(=O)c1cc2C(=O)c3ccccc3-n2c1N

Cc1ccc(cc1)C(=O)Nc1ccc2n(C)cnc2c1

O=C(CCSc1ccccc1)N1CCN(CC1)C(=O)c1ccco1

Fc1ccccc1OCC(=O)NC1CC1

Clc1ccccc1CN1C(Nc2cccnc2)c2ccccc2C1=O

CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc2cccnc12

O=C(CSc1nnc(COc2ccccc2)o1)N1CCN(CC1)c1ccccc1

Fc1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)cc1Cl

O=C(Nc1nc(cs1)-c1nc2ccccc2s1)C1COc2ccccc2O1

OC(=O)c1ncc(cn1)-c1ccccc1

COc1ccc2ccccc2c1C(O)c1nccn1C

CC(=O)OCC[N+](C)(C)C

CC(C)c1nnc(SCC(=O)Nc2sc(C)c(C)c2C#N)n1C

[O-]N1C2=C(CCC2)[N+](=O)c2ccccc12 |t:2|

NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1

Cc1cc2nc([nH]c2cc1C)C1CCCN(C1)C(=O)NCc1ccccc1

CN1C(=S)NC(=O)\C(=C/c2ccc(o2)N2CCCCCC2)C1=O

Oc1ccc2ccc3cccc[n+]3c2c1

CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccoc1 |c:4|

FC(F)(F)c1[nH][nH]c(=O)c1C=NCc1ccccc1Cl |w:11.12|

N#C\C(=C\c1ccc(o1)-c1ccccc1)c1nc(cs1)-c1cccs1

CCN(CC)c1ccc(C=c2sc3nnc(-c4ccccc4Cl)n3c2=O)cc1

CC(Nc1cccc2ccccc12)C(=O)NN=Cc1cccc(C)n1

COc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C |THB:18:17:20:14.13|

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

CC(C)CN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O

N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1

COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:13.14,t:7|

COc1ccccc1-c1nnc(SCc2nc3ccccc3s2)n1C

CCN(CC)c1ccc(C=c2sc3nc4ccccc4n3c2=O)c(O)c1

Cc1cc(C)c2nc(NC(=O)C3CCCO3)sc2c1

CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1

CCN1C(=S)S\C(=C/C=C2/SCCN2C)C1=O

CC(Oc1ccc(F)cc1)C(=O)Nc1sc2CCCCc2c1C(=O)NCc1cccnc1

COc1ccc(\C=C2\SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|

COc1ccc(cc1)C(=O)Nc1cc(C(C)=O)c(C=CN(C)C)oc1=O |w:18.18|

Cn1nc(c(C(=O)Nc2ccc(cc2)C(F)(F)F)c1Cl)-c1ccccc1

Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|

CN1c2ccccc2C(=O)C(C(=S)Nc2ccc(F)c(Cl)c2)S1(=O)=O

Cc1nn(C)cc1C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(C)cc1 |c:20,t:9|

FC(F)(F)c1[nH][nH]c(=O)c1C=Nc1cccc(Cl)c1 |w:11.12|

Cc1ccnc(c1)N=CC(C#N)c1nc(cs1)-c1cccc(Br)c1 |w:7.7|

[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1ccccc1

CCN1C(=S)S\C(=C/c2cc(C)n(C)c2C)C1=O

Cc1cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1cccnc1

[#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\[#7]-c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6]-1=O

Cc1n[nH+]c(N=[NH+]C[c-]2ccc(=O)c(c2)[N+]([O-])=O)[n-]c1=O |w:6.6|

Oc1c(C=NNC(=O)c2ccccc2)sc2ccccc12 |w:4.4|

CCC(COC(=O)Nc1ccc(C)cc1)N1C(SCC1=O)c1ccc(Cl)cc1

Clc1ccc(Cc2cnc(NC(=O)C(=C\c3c[nH]c4ccccc34)\C#N)s2)c(Cl)c1

COc1ccccc1\C=C\C=C1/Oc2c(ccc(O)c2CN2CCN(CCO)CC2)C1=O

COc1ccc(C=CC(=O)NC(=S)Nc2ccc(cc2)C(O)=O)cc1 |w:6.5|

Clc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc2OCCOc2c1

CCC(N1C(=S)S\C(=C/c2cccn2C)C1=O)C(O)=O

CCN(CC)c1ccc(\C=C2/C(=O)c3ccc(cc3C2=O)C(O)=O)cc1

COc1cc(cc(OC)c1OC)C(=O)Oc1ccccc1C=NNC(=O)c1ccc(Cl)cc1

O=C(Cn1cnc2n(ncc2c1=O)-c1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

CN(\N=N\c1ccc(cc1)[N+]([O-])=O)c1ccccc1

COc1ccc(\C=C\c2cc(=O)c3ccc(OC)cc3o2)cc1

CC(=O)Nc1cc(ccc1Sc1ccc(F)cc1)C(=O)NCc1ccco1

Oc1ccc2ccc3OC(=N)C(C#N)C(c4ccsc4)c3c2c1

Cc1ccc(cc1)-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1

Cc1ccc(cc1)-n1c(O)c(C=CC=Nc2ccccc2)c(=O)[nH]c1=O |w:14.15,11.11|

OC(CN1CCCCC1)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12

[O-][N+](=O)c1cccc(c1)C(=O)CSc1nc2ncc(Br)cc2[nH]1

C(c1ccccc1)n1c(nc2nc3ccccc3nc12)-c1ccccc1

CC(NN1CCCCC1c1cccnc1)=C1C(=O)NC(=S)N(C2CCCCC2)C1=O |w:1.0|

CCOC(=O)C(\NC(C)=O)=C/c1c[nH]c2ccccc12

Cc1cccc(C=Nn2c(n[nH]c2=S)-c2ccncc2)c1 |w:7.7|

COc1ccccc1C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1

Clc1ccc(C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N2CCOCC2)c(Cl)c1

Fc1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1

[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-c1ccc(F)cc1)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|

Cc1c(O)c2C(=O)N(C(=O)c3cccc(c1O)c23)c1ccccc1

Cc1ccc(cc1)S(=O)(=O)NCCCCCC(=O)Nc1ccccc1C

Cn1cc(\C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc12

CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)c1=O

[O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1-c1ccccc1

COc1ccc(cc1OC)-c1nn(cc1C=NNC(N)=S)-c1ccccc1 |w:16.18|

CCc1ccc2c(COC(=O)CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc(=O)oc2c1

CC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)[N+](\[O-])=C\c1ccccc1

C=CCN1C(=S)NC(=O)\C(=C/c2ccc(o2)N2CCOCC2)C1=O

[O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)cc1 |w:8.8,c:18|

COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1C

CC\N=C1\S\C(=C/c2cc(OC)c(cc2OC)N2CCCC2)C(=O)N1CC

CCN(CC)C(=S)SCC(=O)c1c(C)[nH]c2ccccc12

CCOC(=O)c1sc(cc1NC(=O)Nc1ccccc1OC)-c1ccc(F)cc1

Cc1ccnc2nc(nn12)C(=O)OCC(=O)NCCc1ccccc1

COc1cc(OC)c(cc1OC)C(=O)OC(C)C(=O)Nc1cccc(c1)C(F)(F)F

FC(F)Oc1ccccc1C=NOCC(=O)NCc1cccs1

Cc1cc(nc(n1)N)Cl

COc1ccccc1N1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O

OC1(CC(=NN1C(=O)c1ccc(COc2ccccc2Br)o1)C(F)F)C(F)F |c:3|

COc1cc(N2CCCC2)c(OC)cc1\C=C1\NC(=S)NC1=O

c1nc2cc3nc4ccccc4nc3cc2[nH]1

Cc1nnc(SCC(=O)NC(C)(C)C)n1C1CCCCC1

CCOC(=O)N1CCN(CC1)C(=S)Nc1ccccc1C

CC(C)CNC(=S)NC(=O)c1ccccc1Cl

[#6]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-n1cc(-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

COC(=O)C(=C/c1cc2cc(C)c(C)cc2[nH]c1=O)\C#N

CC(C)CN1CCN(Cc2cccn2-c2ccc(Cl)cn2)CC1CCO

[O-][N+](=O)c1ccc(N2CCCC2)c2ncccc12

CCCN1CCc2c(C1)sc(NC(=S)NC(=O)c1ccccc1)c2C#N

CN(C(C)=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F

NC(=O)NC(=O)COC(=O)c1cccc(NS(=O)(=O)\C=C\c2ccccc2)c1

OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1

CN1CCS\C1=C\C=C1/SC(=S)N(CC(O)=O)C1=O

CN1C(=S)N(C)\C(=C/c2ccc(N3CCCC3)c(C)c2)C1=O

CNC(=S)N1N=C(CC1c1ccc(cc1)N(C)C)c1ccc(Br)cc1 |c:5|

CC(C)(C)C(=O)\C=c1/s\c(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)c(=O)n1CC(=O)NC(N)=O

Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1

CC(=O)Oc1ccc(NC(=O)Cc2ccccc2)c(c1)C(O)=O

COCCn1c(=O)c2ccccc2c2ccccc2c1=O

CCNCc1cc(Br)ccc1OCC=C

Fc1ccc(-c2n[nH]cc2CN(CC2CCC2)CC2CCCO2)c(F)c1

COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(OC)c1O

Cc1cc(ccc1Cl)S(=O)(=O)N1CCCC(C1)C(=O)Nc1ccc(cc1)C(O)=O

CC(C)Sc1nc2ccc(Br)cc2[nH]1

COc1ccc(NC(=O)C(=C/c2ccc(o2)N2CCOCC2)\C#N)cc1

CN1CCS\C1=C/C=C1\OC(=S)N(C)C1=O

Clc1ccc(NC(=O)C2COc3ccccc3O2)nc1

[#6]-c1cc(ccc1\[#6]=[#6](\C#N)C#N)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1

CCSC1=N\C(=C/C=C2\Oc3ccccc3N2CC)C(=O)S1 |t:3|

[#6]-[#6]C1([#6])[#8]\[#6](=[#6]/[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)-[#6]=[#6](-[#8]1)-c1ccccc1 |c:18|

[#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2cc(ccc2-[#7])-[#6](=O)-c2ccccc2)-[#6](=O)-[#6]1

CC1CC(C)(C)NC(=S)N1CC(=O)N1CCN(CC1)c1cc(C)ccc1C

Cc1ccc(C=C2SC(O)=NC2=S)o1 |w:5.4,c:9|

COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1CCc2cc(OC)c(OC)cc2C1C

Clc1ccc(CNC(=O)C2CCN(CC2)c2cnccn2)cc1

Cc1ccc(\C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc1

Cc1ccc[n+](c1)-c1[n-]c(=O)sc1C=O

COC(=O)C1=C(C)NC(=O)\C1=C/N(C)C |c:4|

O=C(CNCc1cccs1)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1

CCOC(=O)C(=CC=C1Sc2cc(OCC)c(OCC)cc2N1CC)C(C)=O |w:7.6,5.26|

CN(C)C=Nc1cc2nc3[nH]c(=O)n(CC=C)c(=O)c3nc2cc1C |w:4.4|

CNc1ccccc1C(C)(C)c1cc(C)n[nH]1

CCOC(=O)c1sc2nc(C)nc(SCC(=O)NC3CCS(=O)(=O)C3)c2c1C

O=C(\C=C\c1nc2ccccc2s1)N1CCCCCC1

Fc1ccccc1N1CCN(CC(=O)Nc2cccnc2Cl)CC1

COc1ccccc1NC(=O)COC(=O)c1cnc(C)cn1

[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-[#6]-c1ccc(Cl)cc1)=[#6](\C#N)C#N |t:1,4|

N=C1N(Cc2ccccc12)c1ccc(cc1)S(=O)(=O)N1CCCCC1

CC(C)CSc1nnnn1-c1ccccc1C

CN(CC(=O)Nc1ccc(C)cc1)c1ccc(cn1)S(=O)(=O)N1CCCC1

CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1

COc1ccc(cc1)S(=O)(=O)N1CN(Cc2ccco2)c2nc3ccccc3nc12

CC(=O)Oc1ccc(cc1)-n1c(O)c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c1O

COc1ccc(C=NNC(=O)c2cccnc2)cc1CN1CCOCC1

CN(C)\C=C1/C=C2N(C1=O)c1ccccc1C2=O |c:5|

[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#6]=[#6](\C#N)C#N)-[#6]=[#6]-1 |c:4,14|

O=C(NC1CCCCC1)C(=C\c1ccc(o1)N1CCOCC1)\C#N

CC(=O)Nc1ccc2cc3ccc(NC(C)=O)cc3nc2c1

CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2ccccc2O)C1=O |(7.68,6.81,;7.36,5.31,;5.96,4.68,;4.62,5.45,;6.12,3.15,;7.62,2.83,;8.25,1.42,;7.34,.18,;5.8,.18,;5.33,-1.29,;3.86,-1.76,;6.57,-2.19,;7.82,-1.29,;9.28,-1.76,;6.57,-3.73,;7.91,-4.5,;7.91,-6.04,;6.57,-6.81,;5.24,-6.04,;5.24,-4.5,;3.91,-3.73,;8.39,4.16,;9.92,4.32,)|

COc1ccc(NC=C2c3oc4cc(Cl)c(O)c(Cl)c4c3CCC2=O)cc1 |w:7.6|

CCN(CC)CCN1C(=O)c2cccc3cc(N)cc(C1=O)c23

COc1ccc(cc1OC)C(=O)\C=C\c1cn(CC(O)CN2CCN(C)CC2)c2ccccc12

COc1ccc(CNC(=O)c2sc(=S)n(c2N)-c2ccccc2)cc1

CC(Cc1ccccc1)=CN=Nc1ccc2nncn2n1 |w:11.12,9.10|

[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1

Oc1ccc2C(c3ccccc3)c3c(Oc2c1)ncn(Cc1ccco1)c3=N

COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(CC2)c2nc(C)cc(C)c2C#N)c1OC

COC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(F)cc1

COc1cc(CCCN2[C@@H](CC3CCCCC3)CNC2=S)cc(OC)c1OC

CCOC(=O)C(=CC1=CC(=CN(C)C)C(=O)O1)C(C)=O |w:10.10,6.6,t:7|

COC(=O)C(=NNc1ccccc1C(=O)OC)C(C)N=O |w:5.5|

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

Fc1ccc(CN2C(=O)NC(=O)C(=CNNc3ccccc3)C2=O)cc1 |w:13.13|

CN(C)NC(=O)c1ccc(s1)[N+]([O-])=O

OC(=O)CCC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Cn1ncc2c(ON=C(N)c3ccc(cc3)C(F)(F)F)ncnc12 |w:7.6|

Cn1nccc1NC(=O)Nc1cccc(Cl)c1Cl

Cn1nc(NC(=O)C2CCC2C(O)=O)c2c(F)cccc12

COC(=O)c1ccc(n1C)S(=O)(=O)N1CCC(O)CC1

CC(=O)C(C=Nc1noc(C)c1Br)C(C)=O |w:5.5|

Fc1ccc(CNC(=S)NCc2ccc(F)cc2)cc1

FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)c1cnc2ccccc2n1

CC1CN(CC(C)O1)c1ccc(NS(=O)(=O)c2ccccc2)cc1C(O)=O

COc1ccc(C(=O)Nn2cnc3scc(-c4cccs4)c3c2=O)c(O)c1

CC1(C)CCN2CCC(C)(C)c3c(O)ccc1c23

CN(\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1

COc1ccc(OC)c(\C=C2/N=C(OC2=O)c2ccccc2)c1 |c:11|

CC1Oc2ccccc2C(=O)N1c1ccc(OC=C)cc1

COc1ccc2nc([nH]c2c1)-c1ccccn1

Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C

[O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12

CC\C(=C/c1sc2ccccc2[n+]1CCCS([O-])(=O)=O)\C=C1/Oc2ccc(OC)cc2N1C

Clc1cccc(C(=O)Nc2ccc3OCCOc3c2)c1Cl

CC(C(=O)c1ccc(Br)cc1)[n+]1cccc2ccccc12

CC1(C)CC(=O)C=C(C1)Nc1ccccc1N |c:6|

CCN(CC)c1ccc(C=C2SC(N)=NC2=O)cc1 |w:9.8,c:13|

[O-][N+](=O)c1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1CCN1CCOCC1

COc1ccc(OC)c(c1)-n1c(O)c(C=NCCN2CCNCC2)c(=O)[nH]c1=S |w:15.16,(14.58,-8.09,;14.58,-6.55,;13.24,-5.78,;11.91,-6.55,;10.58,-5.78,;10.58,-4.24,;9.24,-3.47,;7.91,-4.24,;11.91,-3.47,;13.24,-4.24,;11.91,-1.93,;10.58,-1.16,;9.24,-1.93,;10.58,.39,;9.24,1.16,;9.24,2.7,;7.91,3.47,;7.91,5.01,;6.57,5.78,;5.24,5.01,;3.91,5.78,;3.91,7.32,;5.24,8.09,;6.57,7.32,;11.91,1.16,;11.91,2.7,;13.24,.39,;13.24,-1.16,;14.58,-1.93,)|

Clc1ccc(Oc2ccccc2)c(NC(=S)N2CCN(CC2)c2ccccn2)c1

CCn1cc(C(=O)NCCC(=O)NCCO)c(=O)c2cc3OCOc3cc12

Fc1ccc(CN2CCSc3sccc3C2=O)cc1

CN(C)c1ccc(C=NN(C)C2=NS(=O)(=O)c3ccccc23)cc1 |t:11|

COc1cc(ccc1F)-c1c(C)onc1-c1ccc2OCOc2c1

CN(C)CCN(C)Cc1c2ccccc2c(CN(C)CCN(C)C)c2ccccc12

O=C1NCCCCC1NS(=O)(=O)c1ccc(cc1)C#N

Brc1csc(c1)C1Nc2ccccc2C(=O)N1CC=C

OC(=O)c1ccccc1CSc1nnnn1-c1ccccc1

Cc1ccc(cc1)-c1ccc(OC(=O)c2ccc(=O)[nH]c2)c(C)c1

COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C(O)=O)C2=O)cc1OC

CCOc1cc(\C=C2/N=C(SC(C)C(N)=O)N(C2=O)c2ccc(OC(F)F)cc2)ccc1O |t:8|

CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(SC)cc1

O=C(CSC1=Nc2ccccc2S(=O)(=O)N1)N1CCCCC1 |t:4|

CC(=O)N1CCc2c(C1)sc(NC(=O)C1CCCN1S(=O)(=O)c1cccs1)c2C(N)=O

CCc1ccc(cc1)C(=O)NNC(=O)c1cccc(c1)-n1c(O)ccc1O

S=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

CNS(=O)(=O)c1ccc(cc1)N=Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:11.11|

CN(C)CCOc1ccc(NC2c3ccccc3CSc3ccccc23)cc1

CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(cc1)-n1nc(C)c(CCC(=O)OC)c1C

CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)NCc1ccccc1

CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |c:23|

O=C(NC1CCCCC1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCCC1

CN(C)c1ccc(cc1)-c1cc(=O)c2cc(ccc2o1)C#Cc1cccc(N)c1

Oc1ccc(cc1)C(=O)OCC(=O)Nc1ccc2OCCOc2c1

COc1ccc(CCNC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1

Cc1ccc(NC(=O)COc2ccc(\C=N\NC(=O)CSCc3ccccc3)cc2)cc1

CCN1\C(Sc2ccccc12)=C\c1ccc2cc(C)ccc2[n+]1CC

[O-][N+](=O)c1ccc(N=NCc2cccc3ccccc23)nc1 |w:8.8|

FC(F)(F)c1c2CCCCc2nc2cc(nn12)C(=O)NC1CCCCC1

COc1ccccc1NS(=O)(=O)c1cc(ccc1N=[NH+]Cc1c(C)[n-]c2ccccc12)[N+]([O-])=O |w:18.19|

COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|

OC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccccn1 |c:11|

O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccco2)c1=O |w:14.15|

CC(C)C(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O

CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O

Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1

O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r|

COc1cccc(CN=Nc2nc3ccccc3n3cnnc23)c1O |w:9.9|

Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1

OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\C=C\c2ccco2)C1=O)C(F)(F)F |c:12|

OC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

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

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

OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|

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

OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O

OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O

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

Oc1cc2c(O)oc3cc(=O)c(=O)oc3c2c(O)c1O

Oc1c(cc([N+]([O-])=O)c2oc(c(Br)c12)-c1ccccc1)[N+]([O-])=O

Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;10.68,2.04,;10.68,3.58,;9.34,4.35,;8.01,3.58,;8.01,2.04,;6.68,2.81,;6.68,4.35,;5.34,2.04,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|

COCCN(C(=O)COC(=O)c1cc2CCCc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O

[H][C@@]1(c2cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O

[H][C@]1(c2cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O

Oc1ccc2c(-c3ccccc3S(O)(=O)=O)c3ccc(=O)c(O)c3oc2c1O |(5.36,3.71,;6.7,2.94,;6.69,1.4,;8.03,.63,;9.35,1.4,;10.69,.62,;10.68,-.91,;9.35,-1.67,;9.34,-3.21,;10.67,-3.98,;12.01,-3.21,;12.01,-1.67,;13.34,-.9,;14.66,-.12,;14.12,-2.23,;12.56,.43,;12.03,1.39,;13.37,.61,;14.72,1.38,;14.73,2.94,;16.06,3.7,;13.38,3.72,;13.38,5.26,;12.04,2.95,;10.69,3.73,;9.36,2.95,;8.02,3.71,;8.02,5.25,)|

COc1cc(cc(OC)c1OC)-c1nnc(SCc2cc(=O)oc3cc(O)c(O)cc23)o1

O=C1C(CCC1=Cc1ccco1)=Cc1ccco1

Oc1ccc(c2ccc(Nc3ccccc3)cc12)S(O)(=O)=O

CCOc1ccc2nc3cc(ccc3c(N)c2c1)\N=N\c1ccc(N)nc1N

NC(=N)c1ccc(cc1)N=Nc1c(O)ccc2c3ccccc3[nH]c12 |w:10.11|

Oc1ccc2C3=C4CC(=O)C(=O)C=C4CC3(O)COc2c1O |c:5,12|