. 2020 Nov 13;10(68):41430–41442. doi: 10.1039/d0ra06727j

Chemical composition of the WCCE and the physicochemical properties of the identified compounds.

Name of the compound	Chemical formula	Molecular weight (Da)	Area (%)	Docking score (kcal mol⁻¹)		Activity	References
Name of the compound	Chemical formula	Molecular weight (Da)	Area (%)	4PLB	LpxC	Activity	References
2-Furancarboxaldehyde	C₅H₄O₂	96.084	0.14	−5.84	−5.70	Antibacterial	48
4-Nitro-3-(trifluoromethyl)phenol	C₇H₄F₃NO₃	207.107	0.01	−6.87	−6.90	Antimicrobial and antioxidant	49
4H-Pyran-4-one	C₅H₄O₂	96.084	0.04	−5.40	−5.91	Pharmacological activity	50
Methanesulfonic acid	CH₄O₃S	96.106	0.02	−6.51	−6.56	Antioxidant	51