Compound Name

SMILES String

Brc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1

Brc1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccc(Br)cc1

Brc1ccc2[nH]cc(Cc3c[nH]c4ccc(Br)cc34)c2c1

Brc1cccc(CCNc2cc(=O)[nH]c(=O)[nH]2)c1

C(Cc1nnc(-c2ccccc2)c(n1)-c1ccccc1)c1cccnc1

C(N1CCOCC1)c1ccc(cc1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

C(N1CCOCC1)c1ccc(cc1)-c1nc(Cc2c[nH]c3cnccc23)nnc1-c1ccccc1

C(N1CCOCC1)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

C(N1CCOCC1)c1ccc(cc1)-c1nnc(Cc2c[nH]c3cnccc23)nc1-c1ccccc1

C(Nc1nnc(-c2ccccc2)c(n1)-c1ccccc1)c1cccnc1

C(Oc1ccc2[nH]cc(Cc3c[nH]c4ccc(OCc5ccccc5)cc34)c2c1)c1ccccc1

C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

C(c1c[nH]c2ccccc12)c1ncc(nn1)-c1ccccc1

C(c1c[nH]c2ccccc12)c1nnc(-c2ccccc2)c(n1)-c1ccccc1

C(c1c[nH]c2ccccc12)c1nnc(-c2ccccc2)c(n1)-c1cccnn1

C(c1c[nH]c2ccccc12)c1nnc(-c2ccccc2)c(n1)-c1ncccn1

C(c1c[nH]c2ccccc12)c1nnc(-c2ccccn2)c(n1)-c1ccccn1

C(c1c[nH]c2ccccc12)c1nnc(-c2cccnn2)c(n1)-c1ccccc1

C(c1c[nH]c2ccccc12)c1nnc(-c2cccs2)c(n1)-c1cccs1

C(c1c[nH]c2ccccc12)c1nncc(n1)-c1ccccc1

C(c1c[nH]c2ccncc12)c1nnc(-c2ccccc2)c(n1)-c1ccccc1

C(c1c[nH]c2cnccc12)c1nnc(-c2ccccc2)c(n1)-c1ccccc1

C(c1c[nH]c2cnccc12)c1nnc(-c2ccccc2)c(n1)-c1ccnnc1

C(c1c[nH]c2cnccc12)c1nnc(-c2ccccc2)c(n1)-c1cnccn1

C(c1c[nH]c2cnccc12)c1nnc(-c2ccnnc2)c(n1)-c1ccccc1

C(c1c[nH]c2cnccc12)c1nnc(-c2cnccn2)c(n1)-c1ccccc1

C(c1c[nH]c2ncccc12)c1c[nH]c2ncccc12

C(c1c[nH]c2ncccc12)c1nnc(-c2ccccc2)c(n1)-c1ccccc1

C(c1cnc2ccccn12)c1nnc(-c2ccccc2)c(n1)-c1ccccc1

C1Oc2cccc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c2O1

CC(=O)NCCNC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

CC(=O)NCc1ccc(cc1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

CC(=O)NCc1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

CC(=O)OCc1ccc(cc1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

CC(=O)OCc1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

CC(C)(C)c1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1

CC(C)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

CC(C)CC(O)C#Cc1ccc-2c(CCn3c-2cc(OCC2COCCO2)nc3=O)c1

CC(C)CCCSc1nc(O)cc(O)n1

CC(C)CCCc1nc(O)cc(O)n1

CC(C)c1nnc(Cc2c[nH]c3ccccc23)nc1C(C)C

CC(c1c[nH]c2cccc(F)c12)c1c[nH]c2cccc(F)c12

CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

CCC#CCCSc1nc(O)cc(O)n1

CCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

CCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

CCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

CCCCCCC(O)C(O)=O

CCCCCCCC(C)c1nc(O)cc(O)n1

CCCCCCCC(O)=O

CCCCCCCC(O)CC(O)=O

CCCCCCCCC(O)=O

CCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:8,t:13|

CCCCCCCCCC(O)=O

CCCCCCCCCC(O)CC(O)=O

CCCCCCCCCCC(O)=O

CCCCCCCCCCCC(O)=O

CCCCCCCCCCCC(O)CC(O)=O

CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16|

CCCCCCCCCCCCC(O)=O

CCCCCCCCCCCCC(O)C(O)=O

CCCCCCCCCCCCCC(O)=O

CCCCCCCCCCCCCCCCSc1nc(O)cc(O)n1

CCCCCCCCCCCCCCSc1nc(O)cc(O)n1

CCCCCCCCCCCCSc1nc(O)cc(O)n1

CCCCCCCCCCC[C@@H](O)CC(O)=O |r|

CCCCCCCCCCNc1cc(O)nc(O)n1

CCCCCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1

CCCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1

CCCCCCCCCc1cc(O)cc(O)n1

CCCCCCCCCc1nc(O)cc(O)n1

CCCCCCCCN(C)c1cc(=O)[nH]c(=O)[nH]1

CCCCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1

CCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1Br

CCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N=O

CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1

CCCCCCCCNc1nc(O)cc(O)n1

CCCCCCCCSc1nc(O)cc(O)n1

CCCCCCCCc1cc(O)cc(O)n1

CCCCCCCCc1cc(O)nc(O)n1

CCCCCCCCc1nc(O)cc(O)n1

CCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N=O

CCCCCCCNc1cc(=O)[nH]c(=O)[nH]1

CCCCCCCSc1nc(O)cc(O)n1

CCCCCCCc1cc(O)cc(O)n1

CCCCCCCc1nc(O)cc(O)n1

CCCCCCN(C)c1cc(=O)[nH]c(=O)[nH]1

CCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1

CCCCCCNc1[nH]c(=O)[nH]c(=O)c1Br

CCCCCCNc1cc(=O)[nH]c(=O)[nH]1

CCCCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1

CCCCCCOc1cc(O)nc(SCCCCCC)n1

CCCCCCOc1cc2-c3cc(OC)c(OC)cc3CCn2c(=O)n1

CCCCCCSc1nc(C)cc(O)n1

CCCCCCSc1nc(O)cc(=O)n1C

CCCCCCSc1nc(O)cc(=O)n1Cc1ccccc1

CCCCCCSc1nc(O)cc(O)n1

CCCCCCSc1nc(O)cc(n1)C(=O)OC

CCCCCCSc1nc(O)cc(n1)C(O)=O

CCCCCCSc1nc(OCCCCCCCO)cc(=O)[nH]1

CCCCCCSc1nccc(O)n1

CCCCCCc1nc(O)cc(O)n1

CCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1

CCCCCNc1cc(=O)[nH]c(=O)[nH]1

CCCCCSc1nc(O)cc(O)n1

CCCCCc1cccc(CC(O)=O)c1

CCCCCc1nc(O)cc(O)n1

CCCCCc1nnc(-c2ccccc2)c(n1)-c1ccccc1

CCCCOC(=O)c1cc(O)nc(O)n1

CCC\C=C\CNc1cc(=O)[nH]c(=O)[nH]1

CC\C=C/CCSc1nc(O)cc(O)n1

CCc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1

CCc1ccc(CCc2nc(O)cc(O)n2)cc1

CCc1ccc(CSc2nc(O)cc(O)n2)cc1

CN(C)CCNC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

CN(C)Cc1ccc(cc1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

CN(C)Cc1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

CN(CC#Cc1ccc-2c(CCn3c-2cc(OCC2COCCO2)nc3=O)c1)Cc1ccccc1

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

CN1CCN(CC1=O)C(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

CNC(=O)c1ccc(cc1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

CNC(=O)c1ccc(cc1)-c1nc(Cc2c[nH]c3ccncc23)nnc1-c1ccccc1

CNC(=O)c1ccc(cc1)-c1nc(Cc2c[nH]c3cnccc23)nnc1-c1ccccc1

CNC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

CNC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccncc23)nc1-c1ccccc1

CNC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3cnccc23)nc1-c1ccccc1

CNC(=O)c1cccc(c1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

CNC(=O)c1cccc(c1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

CNS(=O)(=O)c1ccc(cc1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

CNS(=O)(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

COC(=O)c1ccc(cc1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

COC(=O)c1ccc(cc1)-c1nc(Cc2c[nH]c3cnccc23)nnc1-c1ccccc1

COC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccc(cc1)C(=O)OC

COC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

COC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3cnccc23)nc1-c1ccccc1

COC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(cc34)C(=O)OC)c2c1

COC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccccc34)c2c1

COC(=O)c1cccc(c1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

COC(=O)c1cccc(c1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

COCCNC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

COP(=O)(OC1=Cc2ccccc2Sc2ccccc12)OC1=Cc2ccccc2Sc2ccccc12 |t:5,24|

COc1cc2CCn3c(cc(CCc4ccccc4)nc3=O)-c2cc1OC

COc1cc2CCn3c(cc(NCc4ccccc4)nc3=O)-c2cc1OC

COc1cc2CCn3c(cc(OCC4CCCO4)nc3=O)-c2cc1OC

COc1cc2CCn3c(cc(OCC4CCOC4)nc3=O)-c2cc1OC

COc1cc2CCn3c(cc(OCCCc4ccccc4)nc3=O)-c2cc1OC

COc1cc2CCn3c(cc(OCCOc4ccccc4)nc3=O)-c2cc1OC

COc1cc2CCn3c(cc(OCCOc4ccccn4)nc3=O)-c2cc1OC

COc1cc2CCn3c(cc(OCCc4ccccc4)nc3=O)-c2cc1OC

COc1cc2CCn3c(cc(OCc4ccccc4)nc3=O)-c2cc1OC

COc1cc2CCn3c(cc(OCc4ccccc4F)nc3=O)-c2cc1OC

COc1cc2CCn3c(cc(OCc4ncccc4F)nc3=O)-c2cc1OC

COc1ccc(cc1)-c1nnc(Cc2c[nH]c3ccc(F)cc23)nc1-c1ccc(OC)cc1

COc1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccc(OC)cc1

COc1ccc(cc1)-c1nnc(Cc2cn(C)c3ccccc23)nc1-c1ccc(OC)cc1

COc1ccc(cc1)-c1nnc(Cc2n[nH]c3ccccc23)nc1-c1ccc(OC)cc1

COc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

COc1ccc-2c(CCn3c-2cc(OCC2CCCCO2)nc3=O)c1

COc1ccc-2c(CCn3c-2cc(OCC2CCCO2)nc3=O)c1

COc1ccc-2c(CCn3c-2cc(OCC2COCCO2)nc3=O)c1

COc1ccc-2c(CCn3c-2cc(OCC2COc4ccccc4O2)nc3=O)c1

COc1ccc-2c(CCn3c-2cc(OCC2COc4cccnc4O2)nc3=O)c1

COc1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)nc3=O)c1

COc1ccc-2c(CCn3c-2cc(OCCOc2ccccc2)nc3=O)c1

COc1ccc-2c(CCn3c-2cc(OCc2ccccc2F)nc3=O)c1

COc1ccc-2c(CCn3c-2cc(OCc2ncccc2F)nc3=O)c1

COc1ccc2CCn3c(cc(OCc4ccccc4F)nc3=O)-c2c1

COc1ccc2[nH]cc(C=C3C(=O)Nc4ccc(F)cc34)c2c1

COc1ccc2[nH]cc(CC3C(=O)Nc4ccc(F)cc34)c2c1

COc1ccc2[nH]cc(CC3C(=O)Nc4ccccc34)c2c1

COc1ccc2[nH]cc(Cc3c[nH]c4ccc(OC)cc34)c2c1

COc1ccc2[nH]cc(Cc3c[nH]c4ccccc34)c2c1

COc1ccc2[nH]cc(\C=C3/C(=O)Nc4ccccc34)c2c1

COc1ccc2c(Cc3c[nH]c4cc(OC)ccc34)c[nH]c2c1

COc1cccc2c(Cc3c[nH]c4c(OC)cccc34)c[nH]c12

CS(=O)(=O)NCc1ccc(cc1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

CS(=O)(=O)NCc1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

CS(=O)(=O)c1ccc(cc1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

CS(=O)(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

Cc1[nH]c2ccccc2c1Cc1c(C)[nH]c2ccccc12

Cc1c(O)nc(SCCCCc2ccccc2)nc1O

Cc1cc(COc2ccc-3c(CCn4c-3cc(OCC3COc5ncccc5O3)cc4=O)c2)nn1C

Cc1cc(Cc2nnc(-c3ccccc3)c(n2)-c2ccccc2)n[nH]1

Cc1cc(Nc2nnc(-c3ccccc3)c(n2)-c2ccccc2)n[nH]1

Cc1cc(O)nc(SCCCCc2ccccc2)n1

Cc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1

Cc1ccc(CCSc2nc(O)cc(=O)[nH]2)cc1

Cc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

Cc1ccc2c(Cc3c[nH]c4cc(C)ccc34)c[nH]c2c1

Cc1ccc2c(Cc3nnc(-c4ccccc4)c(n3)-c3ccccc3)c[nH]c2c1

Cc1cccc2[nH]cc(Cc3c[nH]c4cccc(C)c34)c12

Cc1noc(COc2ccc-3c(CCn4c-3cc(OCC3COc5ncccc5O3)cc4=O)c2)n1

Clc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)c(Cl)c1

Clc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1

Clc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

Clc1ccc(cc1)N1CCN(CC1)c1cc(=O)[nH]c(=O)[nH]1

Clc1ccc2[nH]cc(Cc3c[nH]c4ccc(Cl)cc34)c2c1

Clc1ccc2c(Cc3c[nH]c4cc(Cl)ccc34)c[nH]c2c1

Clc1cccc(CCNc2cc(=O)[nH]c(=O)[nH]2)c1

Clc1cccc2[nH]cc(Cc3c[nH]c4cccc(Cl)c34)c12

Clc1ccccc1-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1Cl

Clc1ccccc1CCNc1cc(=O)[nH]c(=O)[nH]1

Cn1cc(Cc2c[nH]c3ccccc23)c2ccccc12

Cn1cc(Cc2cn(C)c3ccccc23)c2ccccc12

FC(F)(F)Oc1ccccc1-c1cnc(Cc2c[nH]c3ccccc23)nn1

FC(F)(F)Oc1ccccc1-c1cnnc(Cc2c[nH]c3ccccc23)n1

Fc1cc(F)c2[nH]cc(Cc3c[nH]c4c(F)cc(F)cc34)c2c1

Fc1cc2[nH]cc(Cc3c[nH]c4cc(F)c(F)cc34)c2cc1F

Fc1cc2c(Cc3c[nH]c4cc(Cl)c(F)cc34)c[nH]c2cc1Cl

Fc1cc2cc[nH]c2cc1F

Fc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1

Fc1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccc(F)cc1

Fc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

Fc1ccc2NC(=O)C(Cc3c[nH]c4ccc(F)cc34)c2c1

Fc1ccc2NC(=O)\C(=C/c3c[nH]c4ccc(F)cc34)c2c1

Fc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc34)c2c1

Fc1ccc2[nH]cc(Cc3c[nH]c4ccc(F)c(F)c34)c2c1F

Fc1ccc2[nH]cc(Cc3c[nH]c4ccc(F)cc34)c2c1

Fc1ccc2[nH]cc(Cc3c[nH]c4ccccc34)c2c1

Fc1ccc2c(Cc3c[nH]c4cc(F)ccc34)c[nH]c2c1

Fc1ccc2c(Cc3nnc(-c4ccccc4)c(n3)-c3ccccc3)c[nH]c2c1

Fc1cccc(CCNc2cc(=O)[nH]c(=O)[nH]2)c1

Fc1cccc2[nH]cc(Cc3c[nH]c4cccc(F)c34)c12

Fc1cccc2c(Cc3c[nH]c4c(F)cccc34)c[nH]c12

Fc1ccccc1CCNc1cc(=O)[nH]c(=O)[nH]1

Fc1ccccc1COc1cc2-c3ccccc3CCn2c(=O)n1

N#CC1=Cc2ccccc2Sc2ccccc12 |t:2|

NC(=O)CNC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

NC(=O)c1cccc(c1)-c1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)cc3=O)c1

Nc1cc(N)nc(SCCCCc2ccccc2)n1

Nc1cc(O)nc(SCCCCc2ccccc2)n1

O=C(N1CCOCC1)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

O=C(NCCCc1ccccc1)c1cc(=O)[nH]c(=O)[nH]1

O=C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

O=C1Nc2ccccc2C1=Cc1ccc2[nH]ccc2c1

O=C1Nc2ccccc2C1Cc1ccc2[nH]ccc2c1

O=C1Nc2ccccc2\C1=C\c1c[nH]c2ccccc12

O=Cc1ccc2[nH]cc(Cc3c[nH]c4ccc(C=O)cc34)c2c1

O=Nc1c(NCCCc2ccccc2)[nH]c(=O)[nH]c1=O

O=c1cc(NCCCCc2ccccc2)[nH]c(=O)[nH]1

O=c1cc(NCCCOc2ccccc2)[nH]c(=O)[nH]1

O=c1cc(NCCOc2ccccc2)[nH]c(=O)[nH]1

O=c1cc(NCCc2c[nH]c3ccccc23)[nH]c(=O)[nH]1

O=c1cc(NCCc2ccccc2)[nH]c(=O)[nH]1

O=c1cc(NCCc2cccs2)[nH]c(=O)[nH]1

O=c1cc(OCC2COc3ncccc3O2)cc2-c3ccc(cc3CCn12)-c1ccc2[nH]ncc2c1

O=c1cc(OCC2COc3ncccc3O2)cc2-c3ccc(cc3CCn12)-c1cccnc1

O=c1cc(OCC2COc3ncccc3O2)cc2-c3ccc(cc3CCn12)-c1cncnc1

O=c1cc(OCC2COc3ncccc3O2)cc2-c3ccc(cc3CCn12)C#Cc1ccncn1

O=c1cc([nH]c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1

O=c1cc([nH]c(=O)[nH]1)N1CCN(CC1)C1CCc2ccccc12

O=c1cc([nH]c(=O)[nH]1)N1CCN(Cc2cccc3ccccc23)CC1

O=c1nc(OCC2COCCO2)cc2-c3ccc(CCc4ccccn4)cc3CCn12

O=c1nc(OCC2COCCO2)cc2-c3ccc(COC4CCCC4)cc3CCn12

O=c1nc(OCC2COCCO2)cc2-c3ccc(NCc4ccco4)cc3CCn12

O=c1nc(OCC2COCCO2)cc2-c3ccc(OCc4ccccn4)cc3CCn12

O=c1nc(OCC2COCCO2)cc2-c3ccc(cc3CCn12)-c1ccccc1C#N

O=c1nc(OCC2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1

O=c1nc(OCC2COCCO2)cc2-c3ccc(cc3CCn12)C#CCNc1ccccc1

O=c1nc(OCC2COCCO2)cc2-c3ccc(cc3CCn12)C1CC1

O=c1nc(OCC2COCCO2)cc2-c3ccccc3CCn12

O=c1nc(OCCOc2cnccn2)cc2-c3ccc(CCc4ccccc4)cc3CCn12

O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(COCC4CCOCC4)cc3CCn12 |r|

O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r|

O=c1nc(OC[C@H]2COCCO2)cc2-c3ccc(OCc4noc(n4)C4CC4)cc3CCn12 |r|

O=c1nc(OC[C@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r|

OC(=O)COc1ccc-2c(CCn3c-2cc(OCC2COc4ccccc4O2)nc3=O)c1

OC(=O)c1ccc(cc1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

OC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

OC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(cc34)C(O)=O)c2c1

OC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccccc34)c2c1

OC(=O)c1cccc(c1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

OC(=O)c1cccc(c1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

OC(C#Cc1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)nc3=O)c1)c1ccccc1

OCCC#Cc1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)cc3=O)c1

OCCCCCCCCCCCC(O)=O

OCCCCCCCCSc1nc(O)cc(O)n1

OCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1

OCCNC(=O)c1ccc(cc1)-c1nc(Cc2c[nH]c3cnccc23)nnc1-c1ccccc1

OCCNC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

OCCNC(=O)c1ccc(cc1)-c1nnc(Cc2c[nH]c3cnccc23)nc1-c1ccccc1

OCc1ccc(cc1)-c1nc(Cc2c[nH]c3ccccc23)nnc1-c1ccccc1

OCc1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1

OP(=O)(CC1=Cc2ccccc2Sc2ccccc12)CC1=Cc2ccccc2Sc2ccccc12 |t:4,23|

OP(=O)(OC1=Cc2ccccc2Sc2ccccc12)OC1=Cc2ccccc2Sc2ccccc12 |t:4,23|

OP(=O)(Oc1ccccc1)Oc1ccccc1

OP(O)(=O)OC1=Cc2ccccc2Sc2ccccc12 |t:5|

Oc1cc(=O)[nH]c(SCCc2ccc(Br)cc2)n1

Oc1cc(=O)[nH]c(SCCc2ccc(Cl)cc2)n1

Oc1cc(=O)[nH]c(SCCc2ccc(F)cc2)n1

Oc1cc(=O)[nH]c(SCCc2ccc(cc2)C(F)(F)F)n1

Oc1cc(O)nc(CCCCC#N)n1

Oc1cc(O)nc(SCC2CCC2)n1

Oc1cc(O)nc(SCCC#C)n1

Oc1cc(O)nc(SCCCC#C)n1

Oc1cc(O)nc(SCCCCCc2ccccc2)n1

Oc1cc(O)nc(SCCCCc2ccccc2)n1

Oc1cc(O)nc(SCCCc2ccccc2)n1

Oc1cc(O)nc(SCCc2ccccc2)n1

Oc1cc(nc(SCCCCc2ccccc2)n1)C(F)(F)F

Oc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

[Na;v0+].[#6]-[#6](-[#6])-[#8]-c1cccc-2c1-[#16]-c1ccccc1-[#6]=[#6]-2-[#8]P([#8-])(=O)[#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2c(-[#8]-[#6](-[#6])-[#6])cccc-12 |c:19,t:27|

[Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#6]-[#6]-[#6]-[#6]-[#6])cc(-[#6]-[#6](-[#8-])=O)c1

[Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-c1cccc(-[#6]-[#6](-[#8-])=O)c1

[Na;v0+].[#6]-[#6]-[#8]-c1cccc-2c1-[#16]-c1ccccc1-[#6]=[#6]-2-[#8]P([#8-])(=O)[#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2c(-[#8]-[#6]-[#6])cccc-12 |c:18,t:26|

[Na;v0+].[#6]-[#7]-1-c2ccccc2-[#6]=[#6](-[#8]P([#8-])(=O)[#8]-[#6]-2=[#6]-c3ccccc3-[#7](-[#6])-c3ccccc-23)-c2ccccc-12 |t:9,16|

[Na;v0+].[#6]-[#8]-c1ccc-2c(-[#16]-c3ccccc3-[#6]=[#6]-2-[#8]P([#8-])(=O)[#8]-[#6]-2=[#6]-c3ccccc3-[#16]-c3cc(-[#8]-[#6])ccc-23)c1 |c:15,t:23|

[Na;v0+].[#6]-[#8]-c1ccc2-[#16]-c3c(-[#8]-[#6])cccc3-[#6](-[#8]P([#8-])(=O)[#8]-[#6]-3=[#6]-c4cc(-[#8]-[#6])ccc4-[#16]-c4c(-[#8]-[#6])cccc-34)=[#6]-c2c1 |c:43,t:22|

[Na;v0+].[#6]-[#8]-c1ccc2-[#16]-c3ccccc3-[#6]=[#6](-[#8]P([#8-])(=O)[#8]-[#6]-3=[#6]-c4ccccc4-[#16]-c4ccc(-[#8]-[#6])cc-34)-c2c1 |t:14,21|

[Na;v0+].[#6]-[#8]-c1ccc2-[#6]=[#6](-[#8]P([#8-])(=O)[#8]-[#6]-3=[#6]-c4ccc(-[#8]-[#6])cc4-[#16]-c4c(-[#8]-[#6])cccc-34)-c3cccc(-[#8]-[#6])c3-[#16]-c2c1 |t:6,13|

[Na;v0+].[#6]-[#8]-c1cccc-2c1-[#16]-c1c(F)cccc1-[#6]=[#6]-2-[#8]P([#8-])(=O)[#8]-[#6]-1=[#6]-c2cccc(F)c2-[#16]-c2c(-[#8]-[#6])cccc-12 |c:18,t:26|

[Na;v0+].[#6]-[#8]-c1cccc-2c1-[#16]-c1cc(F)ccc1-[#6]=[#6]-2-[#8]P([#8-])(=O)[#8]-[#6]-1=[#6]-c2ccc(F)cc2-[#16]-c2c(-[#8]-[#6])cccc-12 |c:18,t:26|

[Na;v0+].[#6]-[#8]-c1cccc-2c1-[#16]-c1ccc(F)cc1-[#6]=[#6]-2-[#8]P([#8-])(=O)[#8]-[#6]-1=[#6]-c2cc(F)ccc2-[#16]-c2c(-[#8]-[#6])cccc-12 |c:18,t:26|

[Na;v0+].[#6]-[#8]-c1cccc-2c1-[#16]-c1cccc(F)c1-[#6]=[#6]-2-[#8]P([#8-])(=O)[#8]-[#6]-1=[#6]-c2c(F)cccc2-[#16]-c2c(-[#8]-[#6])cccc-12 |c:18,t:26|

[Na;v0+].[#6]-[#8]-c1cccc-2c1-[#16]-c1ccccc1-[#6]=[#6]-2-[#8]P([#8-])(=O)[#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2c(-[#8]-[#6])cccc-12 |c:17,t:25|

[Na;v0+].[#6]-[#8]-c1cccc2-[#6]=[#6](-[#8]P([#8-])(=O)[#8]-[#6]-3=[#6]-c4cccc(-[#8]-[#6])c4-[#16]-c4c(-[#8]-[#6])cccc-34)-c3cccc(-[#8]-[#6])c3-[#16]-c12 |t:7,14|

[Na;v0+].[#6]-c1ccc-2c(-[#16]-c3ccccc3-[#6]=[#6]-2-[#8]P([#8-])(=O)[#8]-[#6]-2=[#6]-c3ccccc3-[#16]-c3cc(-[#6])ccc-23)c1 |c:14,t:22|

[Na;v0+].[#6]-c1ccc2-[#16]-c3ccccc3-[#6]=[#6](-[#8]P([#8-])(=O)[#8]-[#6]-3=[#6]-c4ccccc4-[#16]-c4ccc(-[#6])cc-34)-c2c1 |t:13,20|

[Na;v0+].[#6]-c1cccc-2c1-[#16]-c1ccccc1-[#6]=[#6]-2-[#8]P([#8-])(=O)[#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2c(-[#6])cccc-12 |c:16,t:24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2c(Cl)cccc2-[#16]-c2ccccc-12)[#8]-[#6]-1=[#6]-c2c(Cl)cccc2-[#16]-c2ccccc-12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2c(F)cccc2-[#16]-c2ccccc-12)[#8]-[#6]-1=[#6]-c2c(F)cccc2-[#16]-c2ccccc-12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2cc(Cl)ccc2-[#16]-c2ccccc-12)[#8]-[#6]-1=[#6]-c2cc(Cl)ccc2-[#16]-c2ccccc-12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2cc(F)ccc2-[#16]-c2ccccc-12)[#8]-[#6]-1=[#6]-c2cc(F)ccc2-[#16]-c2ccccc-12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2ccc(Cl)cc2-[#16]-c2ccccc-12)[#8]-[#6]-1=[#6]-c2ccc(Cl)cc2-[#16]-c2ccccc-12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2ccc(F)cc2-[#16]-c2ccccc-12)[#8]-[#6]-1=[#6]-c2ccc(F)cc2-[#16]-c2ccccc-12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2cccc(Cl)c2-[#16]-c2ccccc-12)[#8]-[#6]-1=[#6]-c2cccc(Cl)c2-[#16]-c2ccccc-12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2cccc(F)c2-[#16]-c2ccccc-12)[#8]-[#6]-1=[#6]-c2cccc(F)c2-[#16]-c2ccccc-12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2c(F)cccc-12)[#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2c(F)cccc-12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2cc(F)ccc-12)[#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2cc(F)ccc-12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2ccc(F)cc-12)[#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2ccc(F)cc-12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2ccccc-12)[#8]-[#6]-1=[#6]-c2ccccc2-[#16]-c2ccccc-12 |t:4,23|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2ccccc2-[#6]-c2ccccc-12)[#8]-[#6]-1=[#6]-c2ccccc2-[#6]-c2ccccc-12 |t:4,23|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2ccccc2-[#8]-c2ccccc-12)[#8]-[#6]-1=[#6]-c2ccccc2-[#8]-c2ccccc-12 |t:4,23|

[Na;v0+].[#8-]P(=O)([#8]-[#6]-1=[#6]-c2ccccc2C2([#6]-[#6]2)c2ccccc-12)[#8]-[#6]-1=[#6]-c2ccccc2C2([#6]-[#6]2)c2ccccc-12 |t:4,26|

[Na;v0+].[#8-]P(=O)([#8]-c1c2ccccc2cc2ccccc12)[#8]-c1c2ccccc2cc2ccccc12

[Na;v0+].[#8-]P(=O)([#8]-c1cc2ccccc2c(=O)c2ccccc12)[#8]-c1cc2ccccc2c(=O)c2ccccc12

[Na;v0+].[#8-]P(=O)([#8]-c1cc2ccccc2c2ccccc12)[#8]-c1cc2ccccc2c2ccccc12

[Na;v0+].[#8-]P(=O)([#8]-c1ccc2ccccc2c1)[#8]-c1ccc2ccccc2c1

[Na;v0+].[#8-]P(=O)([#8]\[#6](=[#6]/c1ccccc1)-[#6]-1-[#6]-[#6]=[#6]-[#6]=[#6]-1)[#8]\[#6](=[#6]/c1ccccc1)-[#6]-1-[#6]-[#6]=[#6]-[#6]=[#6]-1 |c:15,17,32,34|

[Na;v0+].[#8-]P(=O)([#8]\[#6]-1=[#6]\c2ccccc2-[#6]-[#6]-c2ccccc12)[#8]\[#6]-1=[#6]\c2ccccc2-[#6]-[#6]-c2ccccc12 |t:4,24|

[Na;v0+].[#8-]P(=O)([#8]\[#6]-1=[#6]\c2ccccc2\[#6]=[#6]/c2ccccc12)[#8]\[#6]-1=[#6]\c2ccccc2\[#6]=[#6]/c2ccccc12 |c:13,33,t:4,24|

[O-][N+](=O)c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

[O-][N+](=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(cc34)[N+]([O-])=O)c2c1

[O-][n+]1cccc(CCOc2ccc(Cl)c3ccccc23)c1

c1[nH]c2ccccc2c1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12