Compound Name

SMILES String

CN1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O |r|

CC1=NC2C(OC(OS([O-])(=O)=O)C(O)C2O)S1 |t:1|

O=C1N(CC2CCCO2)C(=O)c2cccc3cccc1c23

O=C1N(CCCc2ccccn2)C(=O)c2cccc3cccc1c23

CC(O)CCN1C(=O)c2cccc3cccc(C1=O)c23

c1cc2cccc3c2c(c1)C(=O)NC3=O

OCCCN1C(=O)c2cccc3cccc(C1=O)c23

CCCNCCN1C(=O)c2cccc3cccc(C1=O)c23

CCCNCCCNCCN1C(=O)c2cccc3cccc(C1=O)c23

O=C1N(CCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23

CC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:1|

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccccc1 |r|

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(cc3)-c3ccccc3)cn12 |r|

CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

CCc1nc(N)[nH]c(=O)c1-c1ccc(Cl)cc1

CCc1nc(N)ncc1-c1ccc(Cl)cc1

CCc1nc(N)ncc1-c1ccc(cc1)C(F)(F)F

CCc1ncncc1-c1ccc(cc1)C(F)(F)F

Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1

CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

CC(C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1

CCCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

NCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

CCc1nc(N)nc(N)c1-c1ccc(OC)cc1

CCc1nc(N)nc(N)c1-c1ccc(cc1)C(F)(F)F

CCc1nc(N)nc(N)c1-c1ccccc1

CCc1nc(N)nc(N)c1-c1ccc(C)cc1

CCc1nc(N)nc(N)c1-c1cccc(C)c1

CCc1nc(N)nc(N)c1-c1ccccc1C |(-3.74,-.92,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;,-3.08,;1.33,-3.85,;1.34,-5.39,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;-2.4,-3.24,)|

CCc1nc(N)nc(N)c1-c1cc(C)cc(C)c1

CCCCCCCCNC(=S)N1C[C@H](NC(C)=O)[C@H](O)[C@H](O)[C@H]1CO |r|

[H][C@]12CS\C(=N/c3ccccc3)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r|

[H][C@]12CS\C(=N/CCCCCCCC)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r|

CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|

CC(=O)N[C@H]1[C@@H](COCCCCc2ccccc2)N[C@H](CO)[C@@H](O)[C@@H]1O |r|