Compound Name

SMILES String

C(Cc1ccccc1)Nc1ncnc2[nH]cnc12

Nc1nc(NCc2ccccc2)c2nc[nH]c2n1

C(Nc1ncnc2[nH]cnc12)c1ccco1

C(Nc1ncnc2[nH]cnc12)c1ccc2OCOc2c1

COc1ccc(CCNc2nc(N)nc3[nH]cnc23)cc1OC

COCCNc1nc(N)nc2[nH]cnc12

CC(C)OCCCNc1nc(N)nc2[nH]cnc12

C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO

CC12CC(CC(C)(C)C1)N(C2)c1nc(Cl)nc2[nH]cnc12

Nc1nccc(OCC2(CO)CC2)n1

Nc1nc(NC2CC2)cc(n1)-c1cccc(Cl)c1Cl

CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl

Cc1cnc(N)nc1CCC(C)(C)C

CN(CC(C)(C)C)c1nc(N)ncc1C

CN(CC(C)(C)CO)c1nc(N)ncc1C

Cc1cnc(N)nc1NCC(C)(C)C

Cc1cnc(N)nc1NCC(C)(C)CO

CC(C)(C)CNc1ccnc(N)n1

COCC(C)(C)CNc1ccnc(N)n1

CC(C)(CO)CNc1ccnc(N)n1

Nc1nccc(NCCCO)n1

CC(C)(CO)COc1nc(N)nc2CCCc12

COc1cnc(N)nc1OCC(C)(C)CO

CC(C)(CO)COc1nc(N)ncc1Cl

Cc1cc(OCC(C)(C)CO)nc(N)n1

Cc1cc(OCC(C)(C)C)nc(N)n1

CC(C)(C)COc1ccnc(N)n1

Cc1cnc(N)nc1OCC(C)(C)C

Cc1cnc(N)nc1OCC(C)(C)CO

CN(C)C(=O)Cc1ccc(cc1)-c1nc(N)nc2ccccc12

CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1

CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2

C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

COc1ccc2nc3[nH]nc(C)c3c(NCCOCCO)c2c1

CC12CC(CC(C)(C)C1)N(C2)c1ncnc2[nH]cnc12

Nc1nc(NCCc2ccccc2)c2nc[nH]c2n1

COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1cccs1

Cc1nc(N)nc2ccccc12

Cc1cc(C)c2oc(N)nc2c1

Nc1nccn2ccnc12

CSc1nc(N)nc2[nH]c(C)nc12

CN(C)c1nc2c(N)ncnc2[nH]1

Nc1nc(SCCc2ccccc2)c2nc[nH]c2n1

CSc1nc2c(N)ncnc2[nH]1

Cc1cc(-c2ccccc2)c2oc(N)nc2c1

CCOC(=O)c1ccnc2c1cc[nH]2

c1ccc(cc1)[C@H]2CCCN2c3ccnc4c3cc[nH]4

O=C(NC1CC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1

CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccc1

CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOCC1c1ccccc1

CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOC[C@@H]3C

COC(C)(C)C1CCCN1c1ccnc2[nH]ncc12

C1CN(C(CO1)c1ccccc1)c1ccnc2[nH]ncc12

C1CC(N(C1)c1ccnc2[nH]ncc12)c1cccnc1

Clc1cccc(c1)-c1ccnc2[nH]ncc12

O=C(NC1COC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1

C1CN(CC(O1)c1ccccc1)c1ccnc2[nH]ccc12

C1Cc2cccnc2N1c1ccnc2[nH]ccc12

CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1cccnc1

O=C(NC1COC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1cccnc1

C1CN(c2ccccc2O1)c1ccnc2[nH]ccc12

Clc1cccc(c1)-c1ccnc2[nH]c(cc12)-c1cnco1

Clc1cccc(c1)-c1ccnc2[nH]c(cc12)C#N

Cc1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1

NC(=O)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1

CN(C)C(=O)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1

CNC(=O)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1

CNC(=O)c1cc2c(ccnc2[nH]1)-c1cccnc1

Clc1cccc(c1)-c1ccnc2[nH]ccc12

c1cc2cc(cnc2[nH]1)-c1ccnc2[nH]ccc12

OCc1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1

Clc1cccc(c1)-c1ccnc2[nH]c(cc12)C(=O)NC1CC1

CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl

c1cc2c(ccnc2[nH]1)-c1cccnc1

C1Cc2ccccc2CN1c1ccnc2[nH]ccc12

CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOCC1C1CC1

CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1C(C)(C)OC

C1CC(N(C1)c1ccnc2[nH]ncc12)c1ccccc1

CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1

[#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]-[#6]C([#6])([#6])[#8])c3c(=O)c2c1-[#8]

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3ccc(-[#8])cc3c(=O)c2c1-[#8]

Oc1ccc2c(oc3c(O)c(O)ccc3c2=O)c1O

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])cccc3c(=O)c2c1-[#8]

Cc1cccc(c1C)-c1nc(N)cc2NCCCc12

CNc1cc(nc(N)n1)N(C)[C@@H](C)c1ccccc1 |r|

Nc1nc2c(N)ccc(-c3cccc(Cl)c3Cl)n2n1

Cc1cccc(c1C)-c1nc(NC(N)=O)cc2NCCCc12

CNC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C

COC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C

CNc1cc(nc(N)n1)-c1cccc(C)c1C

CNc1cc(Oc2ccccc2)nc(N)n1

CNc1cc(Oc2cccc(C)c2C)nc(N)n1

CNc1cc(Nc2cccc(C)c2C)nc(N)n1

CNc1cc(NC2CCCCC2)nc(N)n1

CNc1cc(N[C@@H](C)c2ccccc2)nc(N)n1 |r|

CNc1cc(nc(n1)N)N2CCCCC2

CNc1cc(nc(N)n1)N(C)C

CNc1cc(nc(N)n1)N1CCCc2ccccc12

Nc1nc2cccc(-c3ccccc3)n2n1

Cc1cccc(c1C)-c1cccc2nc(N)nn12

Cc1cc(N2CCCCC2)n2nc(N)nc2c1

Cc1cc(-c2cccc(Cl)c2Cl)c2nc(N)[nH]c2c1

COc1cc(-c2cccc(Cl)c2Cl)c2nc(N)[nH]c2c1

CNc1cc(N)nc(c1)-c1cccc(C)c1C

CNc1cc(NC(C)=O)nc(c1)-c1cccc(C)c1C

CNc1cc(nc(NC(C)=O)n1)-c1cccc(Cl)c1Cl

CC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C

Cc1cccc(c1C)-c1nc(NC(=O)C2CC2)cc2NCCCc12

Cc1cccc(c1C)-c1nc(NC(=O)C2CCC2)cc2NCCCc12

Cc1cccc(c1C)-c1nc(NC(=O)C(F)F)cc2NCCCc12

CC(=N)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C

CNc1cc(OCc2ccccc2)nc(N)n1

CNc1cc(O[C@@H](C)c2ccccc2)nc(N)n1 |r|

CNc1cc(nc(N)n1)N1CCc2ccccc2C1

Nc1nc2cccc(-c3cccc(Cl)c3Cl)n2n1

Nc1nc2c(cccc2[nH]1)-c1cccc(Cl)c1Cl

CC(=O)Nc1cc2ncccc2c(n1)-c1cccc(C)c1C

Cc1cc(-c2cccc(Cl)c2Cl)n2nc(N)nc2c1

Cc1cccc(c1C)-c1nc(NS(C)(=O)=O)cc2NCCCc12

CC(C)C(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C

CNc1cc(nc(N)n1)N1CCCC1

Nc1nc2c(cccn2n1)-c1cccc(Cl)c1Cl

CCC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C

c1ccc2c(c1)nc(c(n2)N3CCCC3)N

Fc1cnccc1-c1ccnc2[nH]ccc12

Nc1nc2c(ccnc2[nH]1)-c1ccncc1F

c1ccc2c(c1)[nH]c(n2)N

c1cc2c(nc1)nc([nH]2)N

OCc1csc(n1)-c1ccnc2[nH]ccc12

c1cc2c(cc1Cl)nc(n2CCCO)N

c1nc2cccnc2[nH]1

NC(=O)c1ccccc1-c1ccnc2[nH]ccc12

c1cc2cc[nH]c2nc1

c1cc(c(cc1CCN)C2CCCCC2)O

CN(C)CCc1ccc(cc1)-c1nc(N)nc2ccccc12

COc1cc2ncc(C(=O)N(C)C)c(Nc3ccc(Cl)cc3F)c2cc1OC

CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC)OC

CNc1nc2OCCCCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3

CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3

Nc1nc(-c2ccccc2)c2ccccc2n1

CN(C)c1nc(-c2ccccc2)c2ccccc2n1

CNc1nc(-c2ccccc2)c2ccccc2n1

CNC(=O)c1cnc2cc(OC)c(OCN3CCN(C)CC3)cc2c1Nc1ccccc1

CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Oc1ccccc1

CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1CCS(C)(=O)=O

CNC(=O)c1cnccc1Nc1ccc(Cl)cc1F

CNC(=O)c1cnc2ccccc2c1Nc1ccc(Cl)cc1F

COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3F)c2cc1OC

CNc1nc2OCCN(C)C(=O)COc3cccc(Cn4c(n2)c1[nH]c4=O)c3

CNc1nc2OCCNC(=O)COc3cccc(Cn4c(n2)c1[nH]c4=O)c3

CNc1nc2OCC(=O)N(C)CCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3

CNc1nc2OCC(=O)NCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3

CNc1nc2OCCCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3

COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N

CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N

CC(C)Cn1cnc2c1c3ccccc3nc2N

CCc1c(nc(nc1N2CCOCC2)N)C

c1c(nc(nc1N2CCCCC2)N)NC3CC3