Compound Name

SMILES String

c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O

c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O

C[C@@H]1C[C@@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:9.10,7.8|

COc1ccccc1N1CCN(CC1)C(=O)\C=C\c1noc(c1-c1ccc(O)cc1)-c1cc(Cl)c(O)cc1O

N[C@@H](CC(N)=O)C(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O |r|

COc1ccc(cc1)N(C)C(=O)c1ccc(O)cc1O

Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O

S=C(SSC(=S)N1CCOCC1)N1CCOCC1

COC[C@@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@H]1COC |r|

C(C(=O)O)(Cl)Cl

S=C(SSC(=S)N1CCCOCC1)N1CCCOCC1

CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc3OCOc3c2)[nH]n1

OCCn1nc(nc1[C@@H]1CCCCN1Cc1ccccc1)C1CCOCC1 |r|

CCCCN(Cc1ccncc1)C(=O)c1cc(n[nH]1)-c1ccccc1O

[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-c2c(-[#6])n(-[#6])n(-c3ccccc3)c2=O)-[#6]-[#6@@H]-1-[#6]-[#6]-[#8] |r|

CC(C)NC(=O)COc1coc(CN2CCN(CC2)c2ccccc2F)cc1=O

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)o1)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(F)cc1)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(cc1)C#N)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(CC1CCCCC1)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Cl)o1)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(I)o1)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(s1)C#N)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1cnc(Br)s1)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1ncc(Br)s1)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(F)cc1)C(=O)c1ccc(O)cc1

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(C)o1)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)s1)C(=O)c1ccc(O)cc1O

CN(C)C(=O)c1ccc(cc1)N(Cc1cc(Br)cs1)C(=O)c1ccc(O)cc1O

Cc1cccc(NC(=O)CSc2n[nH]c(n2)-c2ccccc2O)c1C

CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

C[C@H]1CCc2c(C1)sc1nc(SCCN3CCCC3)n(N)c(=O)c21 |r|

CC(C)(CO)c1ccc(Nc2ccc(cc2[N+]([O-])=O)C(=O)C(Cl)Cl)cc1

CC1(c2cccc(c2NC1=O)NC)C

Cc1cc(C)c(S(=O)(=O)NCCO)cc1NS(=O)(=O)c1ccc(Cl)cc1

CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 |r|

Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1

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