Open Access
Table 3
Unique molecules included in this database (202), sorted by their number of constituent atoms.
| Atoms | 2 atoms | 3 atoms | 4 atoms | 5 atoms | 6 atoms | 7 atoms | 8 atoms | 9 atoms | 10–15 atoms | 15+ atoms |
|---|---|---|---|---|---|---|---|---|---|---|
| H | C2 | C2H | C2H2 | C2H2O | C2H4 | C2H4O | C2H3NH2 | C2H5CN | C10H2 | C14H10 |
| He | CF+ | C3 | C2N2 | C2H3 | C3H3 | C2H5 | C2H6 | C2H5OH | C2H5CHO | C5H10 |
| Ar | CH | CCN | C3H | C2HNO | C5H | C6H | C3H5 | C3H6 | C2H5OCH3 | C5H11 |
| C | CH+ | CCO | C3H+ | C3H2 | C5N | CH2CCH2 | C4H4 | C4H5 | C3H5CN | C5H12 |
| N | CN | CH2 | C3N | C4H | CH2CCO | CH2CHCN | C7H | C5H4 | C3H7 | C6H10 |
| O | CO | CNO | C3O | C5 | CH2NH2 | CH3C2H | CH2CHCHO | C8H | C3H7CN | C6H11 |
| S | CO+ | CO2 | C4 | CH2NH | CH3CN | CH3CHO | CH3C3N | CH2CCCCH2 | C3H8 | C6H12 |
| P | CP | H2O | CH2O | CH2OH | CH3NC | CH3CHS | CH3COCN | CH3C4H | C4H10 | C6H13 |
| CS | H2O+ | CH3 | CH2PH | CH3NH | CH3NCO | CH3OCH2 | CH3CONH2 | C4H7 | C6H14 | |
| H2 | H2S | CHNO | CH2SH | CH3OH | CH3NCO | HC6H | CH3NHCHO | C4H8 | C6H9 | |
| HF |  |
CO2H+ | CH3O | H2C3O | CH3NH2 | HCOOCH3 | CH3OCH3 | C5H5 | C7H10 | |
| HS | HCN | H2CN | CH3S | H2CCNH | H2CCHOH | NC6N | HC7N | C5H6 | C7H8 | |
| N2 | HCO | H2CS | CH4 | HC2CHO | HC5N | NH2CH2CN | C5H7 | |||
| NH | HCO+ | H2O2 | H2CCN | HC3NH+ | C5H8 | |||||
| NO | HNC | H3O+ | H2CCS | HC4H | C5H9 | |||||
| NO+ | HNO | HC2O | H2NCO+ | HC4N | C6H4 | |||||
| NS | HO2 | HCCN | HC2NC | HCOCHO | C6H5CN | |||||
| O2 | HOC+ | HCNH+ | HC3N | HNCHCN | C6H6 | |||||
| OH | HPO | HCNO | HC3O | HNCHSH | C6H7 | |||||
| OH+ | N2H+ | HCNS | HCCCO | N2H4 | C6H8 | |||||
| PH | N2O | HNCO | HCNCC | NC4N | C7H4 | |||||
| PN | NH2 | HNCS | HCOOH | NH2CHO | C7H7 | |||||
| PO | NO2 | HOCO | HNC3 | NH2CHS | C8H2 | |||||
| S2 | O3 | HSCN | N2H3 | C8H6 | ||||||
| SO | OCN | HSSH | NCCNH+ | CH2CHCHCH2 | ||||||
| OCS | NCSH | NH2CN | CH2OHCH2OH | |||||||
| PH2 | NH3 |  |
CH3C5N | |||||||
| SO2 | NO3 | NHCNH | CH3C6H | |||||||
| SO3 | CH3COCH3 | |||||||||
| CH3COOCH3 | ||||||||||
| CH3OCH2OH | ||||||||||
| HC11N | ||||||||||
| HC9N | ||||||||||
| HCOOC2H5 |
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