Compound Name

SMILES String

CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C

CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Br)cn2)c1O

CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O

CC(=O)c1sc(=NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C |w:6.6|

CC(C)Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C

CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CC(C)c1cn(C)\c(=N\S(=O)(=O)c2cccc(c2)[N+]([O-])=O)s1

CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2C#N)n(C)c1C

CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl

CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1C

CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1Cl

CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n(C)c1Cl

CC(C)c1s\c(=N/S(=O)(=O)c2cc(F)ccc2C#N)n(C)c1C

CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1C

CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl

CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C

CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C#N

CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C(F)(F)F

CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C(N)=O

CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1Cl

CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1O

CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O

CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O |r|

CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r|

CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O |r|

CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r|

CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1

CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1F

CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1F

CCOc1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1F

CCOc1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1Cl

CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl

CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C

CCc1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C

CCn1c(C)c(s\c1=N/S(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(C)(C)C

CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F

COC(=O)c1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C

COC(=O)c1ccc(Cl)cc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C

COc1c(CCNC(=O)Nc2ccc(Cl)cn2)c(F)ccc1C(C)=O

COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1

COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F

COc1ccc(cc1)S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C

COc1ccc2NC(=S)[C@H](CSC)N(C(=O)OC(C)C)c2c1 |r|

COc1cccc(c1)S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C

COc1ccccc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C

C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S |r,wD:1.0,(.71,2.51,;-.83,2.51,;-1.5,3.9,;-3,4.24,;-4.21,3.28,;-4.21,1.74,;-3,.78,;-1.5,1.12,;-.41,.03,;1.13,.03,;2.22,-1.06,;1.82,-2.54,;3.7,-1.46,;-5.54,.97,;-6.88,1.74,;-8.21,.97,;-6.88,3.28,;-5.54,4.05,;-5.08,5.61,;-3.54,5.68,;-2.7,6.97,)|

Cc1[nH+]c([N-]S(=O)(=O)c2cccc(c2)[N+]([O-])=O)sc1C(C)(C)C

Cc1c(C=C)s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C

Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C(N)=O)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2N)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2NS(C)(=O)=O)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2[N+]([O-])=O)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2ccc(Cl)cc2)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2ccc(O)cc2)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2cccc(Cl)c2)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2cccc(Cl)c2O)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2cccc(O)c2)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2ccccc2)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2ccccc2Cl)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2ccccc2O)n1C)C(C)(C)C

Cc1c(s\c(=N/S(=O)(=O)c2ccccc2[N+]([O-])=O)n1C)C(C)(C)C

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O

Cc1ccc(cc1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O

Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12

Cc1cs\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C

Cc1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C

FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)c1ccccc1

NC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1

O=S(Cc1[nH]c2ccccc2c1Sc1ccccc1)c1ccccc1

Oc1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1Cl