| Name | Formula | Alpha Formula | Edge | Filename | Citation |
| 1,1,1-Trifluoropropyne | CF3CCH | C3F3H | C 1s | yf-0cckk.os | HS90 |
| 1,1,1-Trifluoropropyne | CF3CCH | C3F3H | F 1s | yf-0ffkk.os | HS90 |
| Perfluorocyclopropane | c-C3F6 | C3F6 | C 1s | fr-0cckk.os | html89 |
| Perfluorocyclopropane | c-C3F6 | C3F6 | F 1s | fr-0ffkk.os | html89 |
| 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 |
| perfluoropropane | C3F8 | C3F8 | C 1s | fp-0cckk.os | RI&88 |
| Perfluoropropane | CF3CF2CF3 | C3F8 | F 1s | fp-0ffkk.os | RI&88 |
| Propiolic acid | HCCCO2H | C3H2O2 | C 1s | pp-0cckk.os | IH88 |
| Propiolic acid | HCCCO2H | C3H2O2 | O 1s | pp-0ookk.os | IH88 |
| s-triazine | C3N3H3 | C3H3N3 | C 1s | tz-0cckk.os | AHG93 |
| s-triazine | C3N3H3 | C3H3N3 | N 1s | tz-0nnkk.os | AHG93 |
| Propyne | C3H4 | C3H4 | C 1s | pr-0cckk.os | HS90 |
| Imidazole | C3H4N2 | C3H4N2 | C 1s | iz-0cckk.os | AHG93 |
| Imidazole | C3H4N2 | C3H4N2 | N 1s | iz-0nnkk.os | AHG93 |
| Propargyl alcohol | C3H4O | C3H4O | C 1s | pg-0cckk.os | IH88 |
| Propargyl alcohol | C3H4O | C3H4O | O 1s | pg-0ookk.os | IH88 |
| Acrylic acid | CH2=CH-CO2H | C3H4O2 | C 1s | ac-0cckk.os | IH88 |
| Acrylic acid | CH2=CH-CO2H | C3H4O2 | O 1s | ac-0ookk.os | IH88 |
| Cyclopropane | c-C3H6 | C3H6 | C 1s | cp-0cckk.os | HN&86 |
| propene | C3H6 | C3H6 | C 1s | pc-0cckk.os | HS90 |
| Malonamide | NH2(CO)CH2(CO)NH2 | C3H6N2O2 | C1s | kr-0cckk.os | |
| Malonamide | NH2(CO)CH2(CO)NH2 | C3H6N2O2 | N1s | kr-0nnkk.os | |
| Malonamide | NH2(CO)CH2(CO)NH2 | C3H6N2O2 | O1s | kr-0ookk.os | |
| Acetone | (CH3)2CO | C3H6O | C1s | at-0cckk.os | |
| Acetone | (CH3)2CO | C3H6O | 01s | at-0ookk.os | |
| Allylic alcohol | H2CCHCH2OH | C3H6O | C 1s | al-0cckk.os | IH88 |
| Allylic alcohol | H2CCHCH2OH | C3H6O | O 1s | al-0ookk.os | IH88 |
| dimethyl carbonate | (CH3O)2CO | C3H6O3 | O 1s | gm-0ookk.os | HW&91 |
| lactic acid | CH3CH(OH)COOH | C3H6O3 | C1s | la-0cckk.os | |
| lactic acid | CH3CH(OH)COOH | C3H6O3 | 01s | la-0ookk.os | |
| ethyl carbamate | NH2COOC2H5 | C3H7NO2 | C 1s | if-0cckk.os | UH&95b |
| ethyl carbamate | NH2COOC2H5 | C3H7NO2 | N 1s | if-0nnkk.os | UH&95b |
| ethyl carbamate | NH2COOC2H5 | C3H7NO2 | O 1s | if-0ookk.os | UH&95b |
| 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 |
| 1,2-propanediol | C3H8O2 | C3H8O2 | C 1s | pk-0cckk.os | EUH98 |
| 1,2-propanediol | C3H8O2 | C3H8O2 | O 1s | pk-0ookk.os | EUH98 |
| azido trimethylsilane | (CH3)3Si-N3 | C3H9N3Si | C 1s | uw-0cckk.os | |
| azido trimethylsilane | (CH3)3Si-N3 | C3H9N3Si | N 1s | uw-0nnkk.os |