Compound Name

SMILES String

c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O

Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCC3)ccc2n1C

CCC(C)N1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O

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

COCCOC(=O)c1sc(=S)n(CCOC)c1N

COC(=O)c1c(C(=O)OC)c2cccc3cc(-c4ccccc4)c4ccc1c4n23

[#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

Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12

CCNc1ccc(cc1N)C(O)=O

CC(=O)Nc1ccc(cc1)N=Cc1c(O)c(cc2ccccc12)C(=O)Nc1ccccc1 |w:10.10|

COC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:19|

CN1C(=O)NC(C2=C1CCCC2=O)c1ccccc1[N+]([O-])=O |c:6|

OC(=O)CCCNc1cc(N2CCN(CC2)C(=O)c2ccco2)c2noc3-c4ccccc4C(=O)c1c23

COCCn1nnnc1C(N1CCc2ccccc2C1)c1cc2ccc(OC)cc2[nH]c1=O

CC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F

C[N+]1(CCNC(=O)CN=O)CCCCC1

COc1cc(CC(=O)NCc2ccc3OCOc3c2)cc(OC)c1OC

Clc1ccc(CNC(=O)c2cc(on2)-c2cccs2)cc1

Cc1cc(C)n2ncc(C(=O)Nc3ccc4OCOc4c3)c2n1

Cc1ccc(CNc2ccc(O)cc2)cc1

O=C(Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccco1

Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1

CCCCn1c(NC(=O)c2ccc(Br)o2)c(C(=O)OCC)c2nc3ccccc3nc12

CCCCn1c(NC(=O)c2ccco2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1

COC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3ccccc3Cl)sc2=O)c1

CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(cc3)C(C)C)cc2)s1 |w:21.21|

Fc1cccc(c1)C(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1

COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F

CCOC(=O)C1(C)CC(=Nc2ccc(O)cc2)C(=O)N1c1ccc(O)cc1 |w:9.9|

Clc1ccc(cc1)S(=O)(=O)Nc1cc2nc3ccccc3nc2n1Cc1ccccc1

O=C(CC1Nc2cccc3cccc(NC1=O)c23)Nc1ccccc1

OC(=O)c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2cccnc12

CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1

O=S(=O)(Nc1c(c2nc3ccccc3nc2n1C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1

Oc1ccc(cc1)\N=C\c1sc2ccccc2c1Cl

CCCCn1c(NS(=O)(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc12

CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1

CCC1=Nc2cc(ccc2Sc2ccccc12)C(O)=O |t:2|

COc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccco1

[#6]-[#7](-[#6])-c1cccc2c(\[#6]=[#6](\C#N)C#N)ccc(-[#7](-[#6])-[#6])c12

CC1(C)OC(C)(C)C(=CNc2ccc(O)cc2)C1=O |w:8.8|

Oc1c2CC=CCc2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Br)cc1 |c:4|

CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccc2nnc(C)n2n1

CC(=O)c1ccc(NC(=O)CC2Nc3cccc4cccc(NC2=O)c34)cc1

CCOc1ccccc1CNc1ccc(O)cc1

Oc1ccc(cc1)\N=C\c1ccc(OCc2ccccc2)cc1

OC(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O

OC(=O)c1ccc(Oc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)cc1C(O)=O

O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NCc1ccco1

[O-][N+](=O)c1ccc(cc1)-n1[nH]c(=O)c2ccccc2c1=O

O=C1C=C(NCc2ccccc2)c2ccccc2C1=O |t:2|

CC(C)(C)c1ccc(cc1)C(CC(O)=O)NC(=O)Cc1ccc(F)cc1

Oc1c(Br)cc(Br)cc1CNc1ccc(F)cc1

OC(=O)Cc1ccc(NC(=O)c2cc3cccc(CC=C)c3oc2=O)cc1

Fc1ccc(C=NNC(=S)Nc2cccnc2)cc1F |w:6.6|

O=C(OCc1nnc(o1)-c1ccccc1)\C=C\c1ccco1

Brc1ccc(cc1)C(=O)NN=Cc1cccc(Br)c1

Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1

O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(=O)[nH]c1

CC1=CC(C)(C)N2C(=O)\C(=N\c3ccc(O)cc3)c3cccc1c23 |t:1|

OC(=O)c1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cs\c(=[NH+]/c2ccccc2)n1Cc1ccc(cc1)C(O)=O

COCCCn1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc12

Cc1c(sc2nc(CSc3ncc(cc3Cl)C(F)(F)F)[nH]c(=O)c12)C(O)=O

COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:25,t:5,7|

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

OC(=O)c1sccc1Oc1ccc(NC(=O)c2ccccc2F)cc1

CCCCNc1nnc(Cc2ccc(Cl)cc2)c(=O)[nH]1

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

Cc1ccccc1NC(=O)CN1C(=O)N\C(=C/c2ccccc2OCc2ccc(cc2)C(O)=O)C1=O

Oc1ccc(Cl)cc1N=Nc1c(O)c2c(O)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O |w:9.10|

CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)S(=O)(=O)c1ccc(C)cc1

C[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

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

OC(=O)CCCCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O

CSc1ccccc1C(=O)NC(C)c1ccc(cc1)-n1ccnc1

[H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(C)cc1)N2C(=O)NC1CCCCC1

Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O

Clc1cccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)c1

CN(C)CCOC(=O)CCc1ccccc1

CCN(CC)c1ccc(C=NC(C#N)C(=N)C#N)cc1 |w:10.10|

COc1ccc(cc1OC)-c1cnnn1-c1ccc(N)cc1

CCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23

COc1cccc2cc(C(=O)N3CCc4ccccc34)c(=O)oc12

CCN1CCN(CC1)c1nc2n(C)c(=O)[nH]c(=O)c2n1CC(C)=C

COCCCNc1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23

CSc1nnc(NCc2ccc(Cl)cc2)[nH]1

CCCCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23

CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6|

Cc1ccc(cc1)S(=O)(=O)N1CCN(C(COCc2cccc(C)c2)Cc2ccccc2)C(=O)CC1

Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1Cc1ccccc1

CC1(C)C2(C)CCC1(OC2=O)C(=O)NCc1ccc(Cl)cc1 |TLB:10:9:1:5.6|

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

CCOC(=O)C(C#N)=c1sc(=C2C=Cc3ccccc3N2CC)c(=O)n1CC |c:12|

S=c1[nH]nc(Cc2cccc3ccccc23)n1-c1ccccc1

CC1CCN(CC1)S(=O)(=O)c1ccc2n(C)cc(C(=O)NCc3ccccc3Cl)c(=O)c2c1

O=C(CCn1ccc2ccccc12)NC1CCCc2ccccc12

COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccccc1O)=[N+]2C |c:24|

CC[n+]1c(\C=C\N(C)c2ccccc2)sc2ccc(Cl)cc12

NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1

Cc1nc2cc(C)ccn2c1C(=O)CSc1ccc(Cl)cc1Cl

Cc1cc(Cl)ccc1NC(=O)CN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1

Cc1ccc(cc1)C(=O)COc1ccccc1C(=O)Nc1ccccc1

[#6]-c1c(\[#7]=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)c(=O)n(-c2ccccc2)n1-[#6] |c:5,9|

C[C@]1(CCC(=O)O1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:14|

Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccccc2)n(CC=C)c2nc3ccccc3nc12

Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccccc1N1CCCCC1

Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[N-][C+]1C2CC3CC(C2)CC1C3 |THB:15:23:19:16.17.21,22:20:17:23.24.15,22:23:17:20.19.21,(4.97,-4.55,;6.06,-3.47,;7.54,-3.86,;8.63,-2.78,;8.23,-1.29,;6.75,-.89,;5.66,-1.98,;4.17,-1.58,;3.77,-.09,;3.08,-2.67,;9.32,-.2,;8.23,.89,;10.41,-1.29,;10.41,.89,;11.9,.49,;12.99,1.58,;14.28,2.32,;14.28,3.81,;15.56,4.55,;16.85,3.81,;16.85,2.32,;15.56,1.86,;15.89,.92,;14.5,1.65,;14.5,3.26,)|

Fc1ccc(cc1)-c1nc2n(-c3ccccc3)c(=S)sc2c(=O)[nH]1

CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O

Cc1cc(C)nc(NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc23)n1 |w:8.7|

Cc1cc(C)n(n1)-c1ccc(Cl)c(n1)C(=O)Nc1cc(ccc1Cl)C(F)(F)F

Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(cc1)N1CCOCC1

CC1CCN(CC1)C(=O)C1CCC(C)(C(O)=O)C1(C)C

COc1ccc(CNC(=S)Nc2cc(OC)ccc2OC)cc1

Clc1cccc2c(Br)ccc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)c12

CN1C[C@@H]2C[C@H](N3CCC[C@@]23C1=O)c1cc(C)ccc1-n1cccn1

CS(=O)(=O)N1CCN(CC1)c1ccc(c(SCc2ccco2)c1)[N+]([O-])=O

Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2[N+]([O-])=O)c(C)c1

C1CCC(C1)n1nnnc1C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccn1

Fc1cccc(F)c1CNC(=O)c1cc(COc2c(F)cccc2F)on1

COc1ccc(cc1)C(N(Cc1ccco1)C(=O)c1cnccn1)C(=O)NCc1ccccc1

O=C(N1C(C=Cc2ccccc12)C#N)c1ccccc1 |c:4|

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

COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1CC=Nc1ccc(Oc2ccccc2)cc1 |w:22.24|

Clc1ccc(NC(=O)OCc2cn(nn2)-c2ccccc2)cc1

CC1(C)Cc2c(sc(N=CN3CCCCCC3)c2C#N)C(C)(C)N1

CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16|

[#8]-[#6](=O)-c1ccc(-[#7]\[#7]=[#6]-2\[#6](=O)-[#6]-[#6]-[#6]-[#6]-2=O)cc1

COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)ncn1 |w:20.20|

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

COc1cccc(CCC(=O)N(C)C2CCCN(Cc3ccccc3F)C2)c1

Cc1ccc(OCCCN2CCOCC2)cc1

CCOc1cc(\C=C(/C#N)C(=O)Nc2ccccc2C(O)=O)ccc1OC(=O)c1ccc(C)cc1

Cc1cc(C)c(C#N)c(Nc2ccccc2C)n1

COC(=O)C1CN(C(=O)C1)c1ccc(OCc2ccccc2Cl)cc1

Cc1ccccc1-c1nc2c3ccccc3[nH]c(=S)n2n1

CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O |w:16.16|

COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1O

COc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N(C)c2ccccc2)cc1OC

Oc1ccc2c(-c3ccccc3)c3ccc(=O)cc3oc2c1

Cc1ccc2Oc3ncccc3C(=O)N(CC(=O)NCCc3ccc(Cl)cc3)c2c1

Clc1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1

COc1ccc(NC(=O)C2=CC(=NS(=O)(=O)N2C)c2cccs2)cc1OC |c:11,t:9|

CC1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1

CC1CCCCC1NC(=O)CCS(=O)(=O)c1ccc2OCC(=O)Nc2c1

O=c1[nH]c2ccc(cc2s1)S(=O)(=O)N1CCCCC1

COc1ccc(CCNC(=O)CCC(=O)N2CCOc3ccc(C)cc23)cc1OC

[O-][N+](=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccs2)c1

CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(F)cc1)C1CCCCC1

CCC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc21)C(=O)NCCc1ccc(OC)c(OC)c1

Fc1cccc(Cl)c1\C=C(/C#N)C(=O)NC1CC1

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C