Compound Name

SMILES String

O=C1NCCc2[nH]c(cc12)-c1ccncc1

O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1

O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1

Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1

CC1CN(CC(C)O1)c1nc2ccccn2c(=O)c1N

OC(=O)c1cccc(c1)-c1n[nH]c2ccccc12

Cc1cccc2[nH]nc(-c3ccc(O)cc3)c12

Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(F)(F)F

OC(=O)c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(F)(F)F

Cc1ccc2[nH]nc(-c3ccc(F)c(CO)c3)c2c1

Cc1ccc2[nH]nc(-c3ccc4OCOc4c3)c2c1

Cc1ccc2[nH]nc(-c3ccc(O)cc3)c2c1

Cc1ccc2[nH]nc(-c3ccc(cc3)C(N)=O)c2c1

Cc1ccc2[nH]nc(-c3ccc(cc3)C(O)=O)c2c1

OC(=O)c1ccc(cc1)-c1n[nH]c2cc(ccc12)C(F)(F)F

Fc1ccc2c(n[nH]c2c1)-c1ccc2OCOc2c1

OC(=O)c1ccc(cc1)-c1n[nH]c2cc(F)ccc12

Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1

Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1

COc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:8.17|

COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|

COc1ccc2[nH]c3C(N4CCCC(C4)c3c2c1)C(O)=O |w:13.13,8.21,TEB:18:8:14:12.11.10|

C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r|

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12

O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1

Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO

CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12

CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3NC(=O)C=C)N3CCN(C)CC3)nc-21

COc1cc(OC)cc(-c2ccc3nc(Nc4nc(Cl)ccc4[N+](=O)[O-])ncc3c2)c1

COc1cc(OC)c(Cl)c(-c2ccc3nc(Nc4nc(Cl)ccc4[N+](=O)[O-])ncc3c2)c1Cl

Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F

Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)N[C@@H](CN5)C

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC