| para nitroaniline | para nitroaniline | C6H6N2O2 | C 1s | nq-0cckk.os | TUH96 |
| para nitroaniline | para nitroaniline | C6H6N2O2 | N 1s | nq-0nnkk.os | TUH96 |
| para nitroaniline | para nitroaniline | C6H6N2O2 | O 1s | nq-0ookk.os | TUH96 |
| paracarborane | paracarborane | B10C2H12 | B 1s | ul-0bbkk.os | HR+96 |
| paracarborane | paracarborane | B10C2H12 | C 1s | ul-0cckk.os | HR+96 |
| Pentaborane | pentaborane | B5H9 | B 1s | bk-0bbkk.os | HW&93 |
| Pentafluorobenzene | pentafluorobenzene | C6F5H | C 1s | pf-0cckk.os | HF&87 |
| Pentafluorobenzene | pentafluorobenzene | C6F5H | F 1s | pf-0ffkk.os | HF&87 |
| n-pentane | pentane | C5H12 | C 1s | np-0cckk.os | HI87 |
| per-Fluoro-Cyclobutane | per-fluoro-cyclobutane | C4F8 | C 1s | fc-0cckk.os | RI&88 |
| per-Fluoro-Cyclobutane | per-fluoro-cyclobutane | C4F8 | F 1s | fc-0ffkk.os | IM&88 |
| perfluoro-2-butene | perfluoro-2-butene | C4F8 | C 1s | ft-0cckk.os | RI&88 |
| perfluoro-2-butene | perfluoro-2-butene | C4F8 | F 1s | ft-0ffkk.os | RI&88 |
| Perfluoro-2-butyne (Matheson) | perfluoro-2-butyne (matheson | C4F6 | C 1s | fy-0cckk.os | HS&84 |
| Perfluoro-2-butyne (Matheson) | perfluoro-2-butyne (matheson | C4F6 | F 1s | fy-0ffkk.os | HS&84 |
| Perfluoro-n-pentane | perfluoro-n-pentane | C5F12 | C 1s | fv-0cckk.os | IM&88 |
| Perfluoro-n-pentane | perfluoro-n-pentane | C5F12 | F 1s | fv-0ffkk.os | IM&88 |
| Perfluoroacetone | perfluoroacetone | C3F6O | C 1s | ha-0cckk.os | RI&88 |
| Perfluoroacetone | perfluoroacetone | C3F6O | F 1s | ha-0ffkk.os | RI&88 |
| Perfluoroacetone | perfluoroacetone | C3F6O | O 1s | ha-0ookk.os | RI&88 |
| Perfluoroadamantine | perfluoroadamantine | C10F16 | C 1s | ad-0cckk.os | HI88a |
| Perfluoroadamantine | perfluoroadamantine | C10F16 | F 1s | ad-0ffkk.os | HI88a |
| Perfluorobutane | perfluorobutane | C4F10 | C 1s | fn-0cckk.os | RI&88 |
| Perfluorobutane | perfluorobutane | C4F10 | F 1s | fn-0ffkk.os | RI&88 |
| perfluorocyclopentane | perfluorocyclopentane | C5F10 | C 1s | fi-0cckk.os | RI&88 |
| perfluorocyclopentane | perfluorocyclopentane | C5F10 | F 1s | fi-0ffkk.os | IH88 |
| perfluorocyclopentene | perfluorocyclopentene | C5F8 | C 1s | fg-0cckk.os | RI&88 |
| perfluorocyclopentene | perfluorocyclopentene | C5F8 | F 1s | fg-0ffkk.os | RI&88 |
| Perfluorocyclopropane | perfluorocyclopropane | C3F6 | C 1s | fr-0cckk.os | HTM89 |
| Perfluorocyclopropane | perfluorocyclopropane | C3F6 | F 1s | fr-0ffkk.os | HTM89 |
| Perfluoroeneopentane | perfluoroeneopentane | C5F12 | C 1s | fo-0cckk.os | RI&88 |
| Perfluoroeneopentane | perfluoroeneopentane | C5F12 | F 1s | fo-0ffkk.os | RI&88 |
| perfluorohexane | perfluorohexane | C6F14 | C 1s | fh-0cckk.os | RI&88 |
| perfluorohexane | perfluorohexane | C6F14 | F 1s | fh-0ffkk.os | IM&88 |
| perfluoropropane | perfluoropropane | C3F8 | C 1s | fp-0cckk.os | RI&88 |
| Perfluoropropane | perfluoropropane | C3F8 | F 1s | fp-0ffkk.os | RI&88 |
| Perflurocyclohexane | perflurocyclohexane | C6F12 | C 1s | fd-0cckk.os | RI&88 |
| Perflurocyclohexane | perflurocyclohexane | C6F12 | F 1s | fd-0ffkk.os | IM&88 |
| Phenanthrene | phenanthrene | C14H10 | C1s | kw-0cckk.os | GT&03 |
| Phenol | phenol | C6H6O | C 1s | qm-0cckk.os | FH92 |
| Phenol | phenol | C6H6O | O 1s | qm-0ookk.os | FH92 |
| Phenyl Ether | phenyl ether | C12H10O | C1s | kh-0cckk.os | UP |
| Phenyl methyl ketone | phenyl methyl ketone | C8H8O | C1s | pt-0cckk.os | HH13 |
| Phenyl methyl ketone | phenyl methyl ketone | C8H8O | O1s | pt-0ookk.os | HH13 |
| Phenylacetaldehyde | phenylacetaldehyde | C8H8O | C1s | aq-0cckk.os | HH13 |
| Phenylacetaldehyde | phenylacetaldehyde | C8H8O | O1s | aq-0ookk.os | HH13 |
| Phenylacetylene | phenylacetylene | C8H6 | C1s | ki-0cckk.os | LUH03 |
| Phenylalanine | phenylalanine | C8H9NO2 | C1s | ap-0cckk.os | GH01 |
| Phenylalanine | phenylalanine | C8H9NO2 | N1s | ap-onnkk.os | GH01 |
| Phenylalanine | phenylalanine | C8H9NO2 | O1s | ap-0ookk.os | GH01 |
| phenylurea | phenylurea | C7H8N2O | C 1s | il-0cckk.os | UH&95b |
| phenylurea | phenylurea | C7H8N2O | N 1s | il-0nnkk.os | UH&95b |
| phenylurea | phenylurea | C7H8N2O | O 1s | il-0ookk.os | UH&95b |
| Phosgene | phosgene | CCl2O | C 1s | ph-0cckk.os | HUR92 |
| Phosgene | phosgene | CCl2O | O 1s | ph-0ookk.os | HUR92 |
| Phthalocyanine | phthalocyanine | C32H16N8 | C 1s | zc-0cckk.os | RSH93 |
| Piperdine | piperdine | C5H11N | C 1s | pi-0cckk.os | NIH86 |
| Piperdine | piperdine | C5H11N | N 1s | pi-0nnkk.os | NIH86 |
| Polyglycol P-390 | polyglycol p | C 1s | pj-0cckk.os | UP |
| Polyglycol P-390 | polyglycol p | O 1s | pj-0ookk.os | UP |
| Proline | proline | C5H9NO2 | C 1s | pr-0cckk.os | JS&08 |
| n-propane | propane | C3H8 | C 1s | nr-0cckk.os | HI87 |
| 1,2-propanediol | propanediol | C3H8O2 | C 1s | pk-0cckk.os | EUH98 |
| 1,2-propanediol | propanediol | C3H8O2 | O 1s | pk-0ookk.os | EUH98 |
| n-Propanol | propanol | C3H8O | C 1s | pl-0cckk.os | IH88 |
| n-Propanol | propanol | C3H8O | O 1s | pl-0ookk.os | IH88 |
| Propargyl alcohol | propargyl alcohol | C3H4O | C 1s | pg-0cckk.os | IH88 |
| Propargyl alcohol | propargyl alcohol | C3H4O | O 1s | pg-0ookk.os | IH88 |
| propene | propene | C3H6 | C 1s | pc-0cckk.os | HS90 |
| Propiolic acid | propiolic acid | C3H2O2 | C 1s | pp-0cckk.os | IH88 |
| Propiolic acid | propiolic acid | C3H2O2 | O 1s | pp-0ookk.os | IH88 |
| propionic acid | propionic acid | C2H6O2 | C 1s | pn-0cckk.os | IH88 |
| propionic acid | propionic acid | C2H6O2 | O 1s | pn-0ookk.os | IH88 |
| Propyne | propyne | C3H4 | C 1s | pw-0cckk.os | HS90 |
| Pyrene | pyrene | C16H10 | C1s | ku-0cckk.os | GT&03 |
| Pyridine | pyridine | C5H5N | C 1s | py-0cckk.os | HS&85 |
| Pyridine | pyridine | C5H5N | N 1s | py-0nnkk.os | HS&85 |
| Pyrrole | pyrrole | C4H5N | C 1s | po-0cckk.os | NIH86 |
| Pyrrole | pyrrole | C4H5N | N 1s | po-0nnkk.os | NIH86 |
| Pyrrolidine | pyrrolidine | C4H9N | C 1s | pq-0cckk.os | NIH86 |
| Pyrrolidine | pyrrolidine | C4H9N | N 1s | pq-0nnkk.os | NIH86 |
| saturated Germylene | saturated germylene | C10N2H22Ge | C 1s | gs-0cckk.os | LU+99 |
| saturated Germylene | saturated germylene | C10N2H22Ge | Ge 3p | gs-0ge3p.os | LU+99 |
| saturated Germylene | saturated germylene | C10N2H22Ge | N 1s | gs-0nnkk.os | LU+99 |
| saturated SiH2 silylene | saturated sih2 silylene | C10H24N2Si | C 1s | us-0cckk.os | UH+98 |
| saturated SiH2 silylene | saturated sih2 silylene | C10H24N2Si | N 1s | us-0nnkk.os | UH+98 |
| saturated SiH2 silylene | saturated sih2 silylene | C10H24N2Si | Si 2p | us-0sill.os | UH+98 |
| saturated silylene | saturated silylene | C10H22N2Si | C 1s | ut-0cckk.os | UH+98 |
| saturated silylene | saturated silylene | C10H22N2Si | N 1s | ut-0nnkk.os | UH+98 |
| saturated silylene | saturated silylene | C10H22N2Si | Si 2p | ut-0sill.os | UH+98 |
| sec-Butyl-Ethyl-Ether | sec-butyl-ethyl-ether | C5H14O | C 1s | ii-0cckk.os | UHR95 |
| sec-Butyl-Ethyl-Ether | sec-butyl-ethyl-ether | C5H14O | O 1s | ii-0ookk.os | UHR95 |
| Selenium | selenium | Se | Se 3d,3p,3s | aaa-semm.os | SF |
| Selenophene | selenophene | C4H4Se | C 1s | se-0cckk.os | HTB89 |
| Selenophene | selenophene | C4H4Se | Se 3d,3p | se-0sem5.os | HTB89 |
| Silicon | silicon | Si | Si 2p,2s | aaa-sill.os | SF |
| Silicon tetrachloride | silicon tetrachloride | Cl4Si | Cl 2p | sg-0cll3.os | W92 |
| Silicon tetrachloride | silicon tetrachloride | Cl4Si | Si 2p | sg-0sil3.os | W92 |
| silyl triflate | silyl triflate | C4F3H9O3SSi | C 1s | uh-0cckk.os | UH94a |
| silyl triflate | silyl triflate | C4F3H9O3SSi | Si 2p | uh-0sill.os | UH94a |
| silylene | silylene | C10H20N2Si | C 1s | uo-0cckk.os | UH+98 |
| silylene | silylene | C10H20N2Si | N 1s | uo-0nnkk.os | UH+98 |
| silylene | silylene | C10H20N2Si | Si 2p | uo-0sill.os | UH+98 |
| Sulfur | sulfur | S | S 2p,2s | aaa-ssll.os | SF |
| sulfur hexafluoride | sulfur hexafluoride | F6S | F 1s | sf-0ffkk.os | FH15 |
| Sulfurhexafluoride | sulfurhexafluoride | F6S | S 2p | sf-0ssl3.os | HB78c |
| Sulfurhexafluoride | sulfurhexafluoride | F6S | S 2s | sf-0ssl1.os | FT+95 |
| sulfurtetrafluoride | sulfurtetrafluoride | SF4 | F 1s | sk-0ffkk.os | BH87 |
| sulfurtetrafluoride | sulfurtetrafluoride | SF4 | S 2p | sk-0ssl3.os | BH87 |