96 warnings
! DefaultStructureHelper WARNING: SMILES could not be created for 11/11.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 12/12.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 14/14.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 15/15.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 15/15-13C/15b.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 15/15-1H/15b.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 16/16.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 17/17.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 18/18.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 19/19.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 20/20.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 21/21.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 21/21-IR/Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21).cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 24/24.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 25/25.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 28/28.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 33/33.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 34/34.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 37/37.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 38/38.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 39/39.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 40/40.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 42/42.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 46/46.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 49/49.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 50/50.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 53/53.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 54/54.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 55/55.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 56/56.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 57/57.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 58/58.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 60/60.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 61/61.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 62/62.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 65/65.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 66/66.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 70/70.cdxml MF=null
! InChI could not be created for 73/73.cdxml
! DefaultStructureHelper WARNING: SMILES could not be created for 73/73.cdxml MF=null
! DefaultStructureHelper WARNING: SMILES could not be created for 74/74.cdxml MF=null
! WARNING: 15/15-X-ray/AB2111.cif property IFD.property.structure.molecular_formula can't set value 'H 38 C 30 N 4 O 10 Mg 1', as it is already set to 'H 42 C 32 N 4 O 10 Mg 1' from 15/15-solvate-X-ray/AB2118b.cif for [IFDStructure 38 id=15 size=8 isValid=true] -- Extractor.setPropertyIfNotAlreadySet  zip
! WARNING: 15/15-X-ray/AB2111.cif property IFD.property.structure.empirical_formula can't set value '?', as it is already set to 'H 42 C 32 N 4 O 10 Mg 1' from 15/15-solvate-X-ray/AB2118b.cif for [IFDStructure 38 id=15 size=8 isValid=true] -- Extractor.setPropertyIfNotAlreadySet  zip
! WARNING: 15/15-X-ray/AB2111.cif property IFD.property.structure.cell_formula can't set value '?', as it is already set to 'H 42 C 32 N 4 O 10 Mg 1' from 15/15-solvate-X-ray/AB2118b.cif for [IFDStructure 38 id=15 size=8 isValid=true] -- Extractor.setPropertyIfNotAlreadySet  zip
! WARNING: 39/39-X-ray/AB2146_x.cif property IFD.property.structure.molecular_formula can't set value 'H 54 C 48 N 4 O 16 Cl 2 Rh 2', as it is already set to 'H 44 C 36 N 4 O 16 Rh 2' from 39/39b-X-ray/AB2143_x.cif for [IFDStructure 96 id=39 size=8 isValid=true] -- Extractor.setPropertyIfNotAlreadySet  zip
! WARNING: 39/39-X-ray/AB2146_x.cif property IFD.property.structure.empirical_formula can't set value 'H 27 C 24 N 2 O 8 Cl 1 Rh 1', as it is already set to 'H 22 C 18 N 2 O 8 Rh 1' from 39/39b-X-ray/AB2143_x.cif for [IFDStructure 96 id=39 size=8 isValid=true] -- Extractor.setPropertyIfNotAlreadySet  zip
! WARNING: 39/39-X-ray/AB2146_x.cif property IFD.property.structure.cell_formula can't set value 'H 54 C 48 N 4 O 16 Cl 2 Rh 2', as it is already set to 'H 44 C 36 N 4 O 16 Rh 2' from 39/39b-X-ray/AB2143_x.cif for [IFDStructure 96 id=39 size=8 isValid=true] -- Extractor.setPropertyIfNotAlreadySet  zip
! WARNING: 76/76-x-ray/LB-UO2L4.cif property IFD.property.structure.molecular_formula can't set value 'H 19 C 17 N 5 O 8 U 1', as it is already set to 'H 29 C 17 N 5 O 8 U 1' from 76/76.cdxml for [IFDStructure 176 id=76 size=6 isValid=true] -- Extractor.setPropertyIfNotAlreadySet  zip