Compound Name

SMILES String

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(O)=O |r|

CC1CN=C(Nc2cccc(F)c2)S1 |t:3|

C[C@H]1CN=C(S1)Nc2cccc(c2)O

CC1CN=C(Nc2ccccc2)S1 |t:3|

C1Cc2sccc2C(N1)c1ccccc1

C1Cc2occc2C(N1)c1ccccc1

C1Cc2[nH]ccc2C(N1)c1ccccc1

Nc1ccc(cc1)C1NCCc2sccc12

Cc1ccc(cc1)C1NCCc2sccc12

Clc1cccc(c1)C1NCCc2sccc12

Oc1cccc(c1)C1NCCc2sccc12

Nc1cccc(c1)C1NCCc2sccc12

COc1cccc(c1)C1NCCc2sccc12

Fc1ccccc1C1NCCc2sccc12

Brc1cccc2C(NCCc12)c1ccccc1

c1ccc(cc1)[C@@H]2c3cccc(c3CCN2)N

COc1ccc2C(CCCc2c1)c1ccccc1

COc1cccc(c1)C1CCCc2ccccc12

COc1ccc(cc1)C1NCCc2ccccc12

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|

CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](c2cccs2)NC(=O)CNCc3ccc(cc3OC)OC

CCCCNCC(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc2cccc(c2)OC)C(=O)NC

CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H]1NC[C@@H]1c1ccccc1)c1ccsc1 |r|

Cc1ccc(cc1)C[C@@H](C(=O)NC)NC(=O)[C@@H](C/C=C/c2ccccc2)NC(=O)CNCc3ccccc3

CNC(=O)C1N(Cc2ccccc12)C(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)CNCCOc1ccc(C)cc1 |r|

c1ccc2c(c1)cc([nH]2)CNCC(=O)NC3CCC(CC3)c4[nH]c5ccccc5n4

CC(NC(=O)CNCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)=O

O=C(CNCc1ccccc1)NCc1ccccc1

COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC

Clc1cccc(COc2ccc(CNCC(=O)NCc3ccccc3)cc2)c1

Cc1ccccc1Cc1ccc(CNC(=O)[C@@H]2CCCN2)c(F)c1 |r|

O=C(CNCc1ccccc1)N[C@H]1CC[C@H](CC1)c1nc2ccccc2[nH]1 |r,wU:15.19,12.12,(-1.7,.82,;-1.7,2.36,;-3.04,3.13,;-4.37,2.36,;-5.7,3.13,;-7.04,2.36,;-7.04,.82,;-8.37,.06,;-9.7,.83,;-9.71,2.36,;-8.38,3.14,;-.37,3.13,;.96,2.36,;2.3,3.13,;3.63,2.36,;3.63,.82,;2.3,.05,;.96,.82,;4.96,.05,;6.37,.68,;7.4,-.46,;8.94,-.47,;9.71,-1.8,;8.94,-3.13,;7.41,-3.14,;6.63,-1.8,;5.13,-1.48,)|

COc1ccc(CNCC(=O)N[C@H]2CC[C@H](CC2)c2nc3cc(OCCOCCOCCOCCN)ccc3[nH]2)cc1 |r,wU:12.11,15.18,(-14.61,-.16,;-14.61,1.38,;-13.27,2.15,;-13.27,3.7,;-11.94,4.47,;-10.61,3.7,;-9.28,4.47,;-7.94,3.7,;-6.61,4.47,;-5.27,3.7,;-5.27,2.16,;-3.94,4.47,;-2.61,3.7,;-1.27,4.47,;.06,3.7,;.06,2.16,;-1.27,1.39,;-2.61,2.16,;1.39,1.39,;2.8,2.01,;3.83,.87,;5.36,.87,;6.14,-.47,;7.67,-.47,;8.45,-1.8,;7.67,-3.13,;8.45,-4.47,;9.99,-4.47,;10.76,-3.13,;9.99,-1.8,;10.76,-.47,;9.99,.87,;10.76,2.2,;12.3,2.2,;13.07,.87,;14.61,.87,;5.37,-1.79,;3.83,-1.8,;3.06,-.46,;1.55,-.14,;-10.61,2.16,;-11.93,1.39,)|

COc1cc(N2CCN(C(=O)CCOCCOCCOCCNC(=O)[C@@H]3CCCN3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1