Compound Name

SMILES String

c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2cccc(c2)C([O-])=O)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2-c2nn[nH]n2)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2-c2c(O)c(=O)c2=O)[C@@H](O)[C@H]1O |r,wU:12.14,10.11,wD:38.42,40.45,(5.42,6.41,;5.5,4.87,;6.88,4.17,;6.96,2.64,;5.66,1.8,;4.29,2.5,;2.85,1.94,;1.89,3.14,;2.72,4.43,;4.21,4.03,;1.52,1.17,;.27,2.08,;-.97,1.17,;-2.3,1.94,;-3.64,1.17,;-4.97,1.94,;-4.2,3.28,;-5.74,3.28,;-6.31,1.17,;-7.64,1.94,;-7.64,3.48,;-8.97,1.17,;-10.31,1.94,;-11.64,1.17,;-11.64,-.37,;-12.97,1.94,;-14.31,1.17,;-15.64,1.94,;-15.64,3.48,;-14.31,4.25,;-12.97,3.48,;-11.64,4.25,;-11.64,5.79,;-12.73,6.88,;-10.1,5.79,;-9.01,6.88,;-10.1,4.25,;-9.01,3.17,;-.5,-.29,;-1.4,-1.54,;1.04,-.29,;1.95,-1.54,)|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2-c2cnco2)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2[N+]([O-])=O)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2B(O)O)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2C(O)C(F)(F)F)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC2OC(=O)c3ccccc23)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC2(O)NC(=O)c3ccccc23)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC2(O)c3ccccc3C(O)C2(F)F)[C@@H](O)[C@H]1O |r|