| Name | Formula | Alpha formula | Edge | Filename (right click to 'save target as') | Citation |
| para nitroaniline | p-NH2C6H4NO2 | C6H6N2O2 | C 1s | nq-0cckk.os | TUH96 |
| para nitroaniline | p-NH2C6H4NO2 | C6H6N2O2 | N 1s | nq-0nnkk.os | TUH96 |
| para nitroaniline | p-NH2C6H4NO2 | C6H6N2O2 | O 1s | nq-0ookk.os | TUH96 |
| paracarborane | p-C2B10H12 | B10C2H12 | B 1s | ul-0bbkk.os | HR+96 |
| paracarborane | p-C2B10H12 | B10C2H12 | C 1s | ul-0cckk.os | HR+96 |
| Pentaborane | B5H9 | B5H9 | B 1s | bk-0bbkk.os | HW&93 |
| Pentafluorobenzene | c-C6F5H | C6F5H | C 1s | pf-0cckk.os | HF&87 |
| Pentafluorobenzene | c-C6F5H | C6F5H | F 1s | pf-0ffkk.os | HF&87 |
| perfluoro-2-butene | CF3CF=CFCF3 | C4F8 | C 1s | ft-0cckk.os | RI&88 |
| perfluoro-2-butene | CF3CF=CFCF3 | C4F8 | F 1s | ft-0ffkk.os | RI&88 |
| Perfluoro-2-butyne (Matheson) | CF3CCCF3 | C4F6 | C 1s | fy-0cckk.os | HS&84 |
| Perfluoro-2-butyne (Matheson) | CF3CCCF3 | C4F6 | F 1s | fy-0ffkk.os | HS&84 |
| Perfluoroacetone | CF3COCF3 | C3F6O | C 1s | ha-0cckk.os | RI&88 |
| Perfluoroacetone | CF3COCF3 | C3F6O | F 1s | ha-0ffkk.os | RI&88 |
| Perfluoroacetone | CF3COCF3 | C3F6O | O 1s | ha-0ookk.os | RI&88 |
| Perfluoroadamantine | C10F16 | C10F16 | C 1s | ad-0cckk.os | HI88a |
| Perfluoroadamantine | C10F16 | C10F16 | F 1s | ad-0ffkk.os | HI88a |
| Perfluorobutane | C4F10 | C4F10 | C 1s | fn-0cckk.os | RI&88 |
| Perfluorobutane | C4F10 | C4F10 | F 1s | fn-0ffkk.os | RI&88 |
| per-Fluoro-Cyclobutane | c-C4F8 | C4F8 | C 1s | fc-0cckk.os | RI&88 |
| per-Fluoro-Cyclobutane | c-C4F8 | C4F8 | F 1s | fc-0ffkk.os | IM&88 |
| perfluorocyclopentane | c-C5F10 | C5F10 | C 1s | fi-0cckk.os | RI&88 |
| perfluorocyclopentane | c-C5F10 | C5F10 | F 1s | fi-0ffkk.os | IH88 |
| perfluorocyclopentene | C5F8 | C5F8 | C 1s | fg-0cckk.os | RI&88 |
| perfluorocyclopentene | c-C5F8 | C5F8 | F 1s | fg-0ffkk.os | RI&88 |
| Perfluorocyclopropane | c-C3F6 | C3F6 | C 1s | fr-0cckk.os | html89 |
| Perfluorocyclopropane | c-C3F6 | C3F6 | F 1s | fr-0ffkk.os | html89 |
| Perfluoroeneopentane | C5F12 | C5F12 | C 1s | fo-0cckk.os | RI&88 |
| Perfluoroeneopentane | C5F12 | C5F12 | F 1s | fo-0ffkk.os | RI&88 |
| perfluorohexane | C6F14 | C6F14 | C 1s | fh-0cckk.os | RI&88 |
| perfluorohexane | C6F14 | C6F14 | F 1s | fh-0ffkk.os | IM&88 |
| Perfluoro-n-pentane | C5F12 | C5F12 | C 1s | fv-0cckk.os | IM&88 |
| Perfluoro-n-pentane | C5F12 | C5F12 | F 1s | fv-0ffkk.os | IM&88 |
| perfluoropropane | C3F8 | C3F8 | C 1s | fp-0cckk.os | RI&88 |
| Perfluoropropane | CF3CF2CF3 | C3F8 | F 1s | fp-0ffkk.os | RI&88 |
| Perflurocyclohexane | c-C6F12 | C6F12 | C 1s | fd-0cckk.os | RI&88 |
| Perflurocyclohexane | c-C6F12 | C6F12 | F 1s | fd-0ffkk.os | IM&88 |
| Phenanthrene | C14H10 | C14H10 | C1s | kw-0cckk.os | |
| Phenol | C6H5OH | C6H6O | C 1s | qm-0cckk.os | FH92 |
| Phenol | C6H5OH | C6H6O | O 1s | qm-0ookk.os | FH92 |
| Phenyl Ether | PH(O)PH | C12H10O | C1s | kh-0cckk.os | |
| Phenylacetylene | C8H6 | C8H6 | C1s | ki-0cckk.os | |
| Phenylalanine | Ph-CH(CO2H)(NH2) | C8H9NO2 | C1s | ap-0cckk.os | |
| Phenylalanine | Ph-CH(CO2H)(NH2) | C8H9NO2 | N1s | ap-Onnkk.os | |
| Phenylalanine | Ph-CH(CO2H)(NH2) | C8H9NO2 | O1s | ap-0ookk.os | |
| phenylurea | C6H5NHCONH2 | C7H8N2O | C 1s | il-0cckk.os | UH&95b |
| phenylurea | C6H5NHCONH2 | C7H8N2O | N 1s | il-0nnkk.os | UH&95b |
| phenylurea | C6H5NHCONH2 | C7H8N2O | O 1s | il-0ookk.os | UH&95b |
| Phosgene | Cl2CO | CCl2O | C 1s | ph-0cckk.os | HUR92 |
| Phosgene | Cl2CO | CCl2O | O 1s | ph-0ookk.os | HUR92 |
| Phthalocyanine | C32H16N8 | C32H16N8 | C 1s | zc-0cckk.os | RSH93 |
| Piperdine | c-C5H11N | C5H11N | C 1s | pi-0cckk.os | NIH86 |
| Piperdine | c-C5H11N | C5H11N | N 1s | pi-0nnkk.os | NIH86 |
| Polyglycol P-390 | [O-(C3H6)-O]n | C 1s | pj-0cckk.os | ||
| Polyglycol P-390 | [O-(C3H6)-O]n | O 1s | pj-0ookk.os | ||
| Propargyl alcohol | C3H4O | C3H4O | C 1s | pg-0cckk.os | IH88 |
| Propargyl alcohol | C3H4O | C3H4O | O 1s | pg-0ookk.os | IH88 |
| propene | C3H6 | C3H6 | C 1s | pc-0cckk.os | HS90 |
| Propiolic acid | HCCCO2H | C3H2O2 | C 1s | pp-0cckk.os | IH88 |
| Propiolic acid | HCCCO2H | C3H2O2 | O 1s | pp-0ookk.os | IH88 |
| propionic acid | CH3CH2COOH | C2H6O2 | C 1s | pn-0cckk.os | IH88 |
| propionic acid | CH3CH2COOH | C2H6O2 | O 1s | pn-0ookk.os | IH88 |
| Propyne | C3H4 | C3H4 | C 1s | pr-0cckk.os | HS90 |
| p-xylene | Me-Ph-Me | C8H10 | C 1s | vj-0cckk.os | EH+98 |
| Pyrene | C16H10 | C16H10 | C1s | ku-0cckk.os | |
| Pyridine | c-C5H5N | C5H5N | C 1s | py-0cckk.os | HS&85 |
| Pyridine | c-C5H5N | C5H5N | N 1s | py-0nnkk.os | HS&85 |
| Pyrrole | c-C4H5N | C4H5N | C 1s | po-0cckk.os | NIH86 |
| Pyrrole | c-C4H5N | C4H5N | N 1s | po-0nnkk.os | NIH86 |
| Pyrrolidine | c-C4H9N | C4H9N | C 1s | pq-0cckk.os | NIH86 |
| Pyrrolidine | c-C4H9N | C4H9N | N 1s | pq-0nnkk.os | NIH86 |