| Name | Formula | Alpha formula | Edge | Filename (right click to 'save target as') | Citation |
| N,N Dimethylaniline | C6H5N(CH3)2 | C8H11N | C 1s | ax-0cckk.os | HUR93 |
| N,N Dimethylaniline | C6H5N(CH3)2 | C8H11N | N 1s | ax-0nnkk.os | HUR93 |
| N,N,N-tritolyl isocyanurate | C24H21N3O3 | C24H21N3O3 | yi-0cckk.os | ||
| N,N-di(t-butyl)ethylenediamine | C10H24N2 | C10H24N2 | C 1s | yl-0cckk.os | |
| N,N-di(t-butyl)ethylenediamine | C10H24N2 | C10H24N2 | N 1s | yl-0nnkk.os | |
| N,N-diphenyl urea | (C6H5NH)2CO | C13H12N2O | C 1s | ij-0cckk.os | UH&95b |
| N,N-diphenyl urea | (C6H5NH)2CO | C13H12N2O | N 1s | ij-0nnkk.os | UH&95b |
| N,N-diphenyl urea | (C6H5NH)2CO | C13H12N2O | O 1s | ij-0ookk.os | UH&95b |
| Naphthalene | C10H8 | C10H8 | C 1s | na-0cckk.os | RI&88 |
| Naphthalene | C10H8 | C10H8 | C 1s | na-1cckk.os | |
| n-Butane | C4H10 | C4H10 | C 1s | ba-0cckk.os | HI&87 |
| Neon | Ne (atomic) | Ne | Ne 1s | aaa-nell.os | SF |
| Neon | Ne | Ne | Ne 1s | ne-0nekk.os | HB80c |
| n-Hexane | C6H14 | C6H14 | C 1s | nh-0cckk.os | HI87 |
| N-Hexylpyruvamide | C1s | pz-0cckk.os | |||
| Nickelocene | Ni(Cp)2 | C10NiH10 | C 1s | ni-0cckk.os | HI87 |
| nickel-phthalocyanine | Ni-C32H16N8 | C32H16NiN8 | C 1s | zn-0cckk.os | RSH93 |
| nickel-phthalocyanine | Ni-C32H16N8 | C32H16NiN8 | N 1s | zn-0nnkk.os | RSH93 |
| Nitric Oxide | NO | NO | N 1s | no-0nnkk.os | H92a |
| nitro benzene | NO2C6H5 | C6H5NO2 | C 1s | nj-0cckk.os | TUH96 |
| nitro benzene | NO2C6H5 | C6H5NO2 | N 1s | nj-0nnkk.os | TUH96 |
| nitro benzene | NO2C6H5 | C6H5NO2 | O 1s | nj-0ookk.os | TUH96 |
| Nitrogen | N (atomic) | N | N 1s | aaa-nnkk.os | SF |
| Nitrogen | N2 | N2 | N 1s | nn-0nnkk.os | MC&87 |
| n-methyl aniline | CH3NH-C6H5 | C7H9N | C 1s | uz-0cckk.os | UH96 |
| n-methyl aniline | CH3NH-C6H5 | C7H9N | N 1s | uz-0nnkk.os | UH96 |
| N-methyl-N-phenylurethane | C6H5N(CH3)CO2C2H5 | C10H13NO2 | C 1s | ig-0cckk.os | UH&95b |
| N-methyl-N-phenylurethane | C6H5N(CH3)CO2C2H5 | C10H13NO2 | N 1s | ig-0nnkk.os | UH&95b |
| N-methyl-N-phenylurethane | C6H5N(CH3)CO2C2H5 | C10H13NO2 | O 1s | ig-0ookk.os | UH&95b |
| Norbornene | C7H10 | C7H10 | C 1s | nb-0cckk.os | WH&90 |
| n-pentane | C5H12 | C5H12 | C 1s | np-0cckk.os | HI87 |
| n-propane | C3H8 | C3H8 | C 1s | nr-0cckk.os | HI87 |
| n-Propanol | CH3CH2CH2OH | C3H8O | C 1s | pl-0cckk.os | IH88 |
| n-Propanol | CH3CH2CH2OH | C3H8O | O 1s | pl-0ookk.os | IH88 |
| Octafluoronaphthalene(i.e.Perfluoro-) | C10F8 | C10F8 | C 1s | nf-0cckk.os | RI&88 |
| Octafluoronaphthalene(i.e.Perfluoro-) | C10F8 | C10F8 | F 1s | nf-0ffkk.os | RI&88 |
| ortho nitro aniline | o-NO2C6H4NH2 | C6H6N2O2 | C 1s | ng-0cckk.os | TUH 96 |
| ortho nitro aniline | o-NO2C6H4NH2 | C6H6N2O2 | N 1s | ng-0nnkk.os | TUH 96 |
| ortho nitro aniline | o-NO2C6H4NH2 | C6H6N2O2 | O 1s | ng-0ookk.os | TUH 96 |
| Ortho-carborane | B10C2H12 | B10C2H12 | B 1s | bg-0bbkk.os | HW&93 |
| Ortho-carborane | B10C2H12 | B10C2H12 | C 1s | bg-0cckk.os | HW&93 |
| Oxygen | O (atomic) | O | O 1s | aaa-ookk.os | SF |
| Oxygen | O2 | O2 | O 1s | ox-0ookk.os | HF&93 |
| Oxygen Difluoride | OF2 | F2O | F 1s | of-0ffkk.os | MI&87 |
| Oxygen Difluoride | OF2 | F2O | O 1s | of-0ookk.os | MI&87 |
| o-xylene | Me-Ph-Me | C8H10 | C 1s | vh-0cckk.os | EH+98 |