Compound Name

SMILES String

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(O)=O |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCC(O)=O)C#N |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCCO |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)N[C@@H](CCC(O)=O)C(O)=O |r,c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)N[C@H](CCC(O)=O)C(O)=O |r,c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(N)=O |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCCO)C#N |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)NC(C)(C)C(O)=O |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCO |c:13|

COC(=O)CCC#Cc1cc(cc(c1)C1(C(C)C)c2c(C)n[nH]c2OC(N)=C1C#N)C(F)(F)F |c:28|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCCN |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(CO)cc(c1)C#CCCCO |c:13|

Cc1n[nH]c2OC(N)=C(C#N)C(C)(c12)c1cccc(c1)[N+]([O-])=O |t:7|

Cc1n[nH]c2OC(N)=C(C#N)[C@](C3CCC3)(c12)c1cccc(c1)C(F)(F)F |r,t:7|

COc1cccc(c1)C1(C2CCC2)c2c(C)n[nH]c2OC(N)=C1C#N |c:24|

Cc1n[nH]c2OC(N)=C(C#N)C(C3CCC3)(c12)c1cccc(Cl)c1 |t:7|

Cc1n[nH]c2OC(N)=C(C#N)[C@@](C3CCC3)(c12)c1cccc(c1)C(F)(F)F |r,t:7|

CC(C)[C@@]1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cccc(c1)C(F)(F)F |r,c:13|

COc1cccc(c1)C1(C(C)C)c2c(C)n[nH]c2OC(N)=C1C#N |c:22|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cccc(Cl)c1 |c:13|

CC(C)[C@]1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cccc(c1)C(F)(F)F |r,c:13|

COc1cc(Cl)cc(c1)C1(C2CCC2)c2c(C)n[nH]c2OC(N)=C1C#N |c:25|

Cc1n[nH]c2OC(N)=C(C#N)C(C3CCC3)(c12)c1cc(Cl)cc(Cl)c1 |t:7|

Cc1n[nH]c2OC(N)=C(C#N)C(C3CCC3)(c12)c1cc(Cl)cc(c1)C(F)(F)F |t:7|

Cc1n[nH]c2OC(N)=C(C#N)C(C3CCC3)(c12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:7|

COc1cc(Cl)cc(c1)C1(C(C)C)c2c(C)n[nH]c2OC(N)=C1C#N |c:23|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(Cl)cc(Cl)c1 |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(Cl)cc(c1)C(F)(F)F |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)N1CCCC1 |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(CO)cc(c1)-c1ccccc1 |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(CO)cc(c1)-c1cccc(CC(N)=O)c1 |c:13|

CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(Br)cc(c1)C(F)(F)F |c:13|

CC(C)[C@]1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:13|

CC(C)[C@@]1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:13|

c1cc(ccc1CCCn2ccc3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Nc1nc2ccn(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|

Nc1nc2ccn(CCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|

c1cc(c(cc1CCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)N[C@@H](CCC(=O)O)C(=O)O

c1cc(c(cc1CCCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Nc1nc2ccn(CCCCCc3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)c2c(=O)[nH]1 |r|

Nc1nc2ccn(CCCCc3cc(F)c(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)c2c(=O)[nH]1 |r|

Nc1nc2ccn(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|

Nc1nc2ccn(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|

c1cc(sc1CCCCCn2ccc3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

c1cn(c2c1N=C(NC2=O)N)CCCCc3csc(c3F)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Nc1nc2ccn(CCOc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|

Nc1nc2ccn(CCCOc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|

Nc1nc2ccn(CCCSc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|

Nc1nc2ccn(CCCNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

[H][C@@](CCC(O)=O)(NC(=O)c1ccc(cc1)C(CC#C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O |r|

Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1

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

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C