Compound Name

SMILES String

C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1

OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1

COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3cc(Cl)ccc3s2)c1O

COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2C(O)=O)c1O

[#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6])c1-[#8]

COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccc(Cl)cc2)c1O

COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2NC(C)=O)c1O

COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O

[#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]S(=O)(=O)c2ccc(-[#6])cc2)c1-[#8]

[#6]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#8])c1-[#8]

COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(CSCc2ccccc2)c1O

COc1cc(\C=C(/C#N)C(N)=O)cc(CSC2=NCCS2)c1O |t:16|

[#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-[#6]-[#6](-[#8])=O)c1-[#8]

NC(=O)C(=C\c1cc(O)c(O)c(CSc2nc3ccccc3s2)c1)\C#N

COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O

COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O

COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccn2)c1O

[O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)OCc2ccccc2)cc1

[O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)OCCc2ccccc2)cc1

[O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)NCc2ccccc2)cc1

[O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)Nc2ccccc2)cc1

CC(C)O[C@@H]1[C@@H](COC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)O[C@H]([C@@H]1OC(C)C)n1cnc2c(N)ncnc12 |r|

COc1cccc(OC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)c1

COc1ccccc1OC(=O)CCCC(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1

[O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)OCc2ccco2)cc1

[O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)Oc2ccc(F)cc2)cc1

COc1ccc(OC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)cc1

[O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)Oc2ccccc2)cc1

CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1

CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1

COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(O)cc2)c1O

[#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-c2ccccc2)c1-[#8]

[#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-c2ccccc2-[#6](-[#8])=O)c1-[#8]

COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O

COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2)c1O

COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc3ccccc3c2)c1O

COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3o2)c1O

NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N

COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(C)cc2)c1O

COc1cc(\C=C(/C#N)C(N)=O)cc(CSCCCC(O)=O)c1O