ID, molid, formula, common_name
Fe_1, 463000, C6H9NO6Fe, Ferric nitrilotriacetate
Fe_2, 350139, C20H12N4Fe, Iron(II) Phthalocyanine
Fe_3, 333046, 2C5H5Fe, Ferrocene
Fe_4, 347009, C11H10FeO2, Ferrocenecarboxylic acid
Zn_1, 465559, C6H9NO6Zn, Zinc nitrilotriacetate
Zn_2, 72594, C20H12N4Zn, Zinc(II) Phthalocyanine
Zn_3, 1781004, C2H5NO2Zn, Zinc Glycinate
Cu_1, 463010, C6H9NO6Cu, Copper(II) nitrilotriacetate
Cu_2, 1889751, C20H12N4Cu, Copper(II) Phthalocyanine
Cu_3, 370633, 2C5H8O2Cu,
Mg_1, 465044, C6H9NO6Mg, Magnesium nitrilotriacetate
Mg_2, 35571, C20H12N4Mg, Magnesium(II) Phthalocyanine
ATB-UQ/metal_complex_dataset
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