| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12341 | O=P1(O)CCCCC1 | 2 | 2 |
| mol12342 | O=C1CSCC(=O)C1 | 2 | 3 |
| mol12343 | OC1C=CC=CC=C1 | 0 | 0 |
| mol12344 | CC(=O)C1=CC=CC1 | 0 | 0 |
| mol12345 | O=C1CCC(=O)C1=O | 2 | 2 |
| mol12346 | O=C1CCC(O)=C1O | 3 | 3 |
| mol12347 | O=C1CC(=O)C(=O)C1 | 0 | 0 |
| mol12348 | O=C(O)C1(O)CCC1 | 2 | 2 |
| mol12349 | O=C(O)c1ccoc1 | 2 | 2 |
| mol12350 | CO[C@H]1C[C@H]1C(=O)O | 2 | 2 |
| mol12351 | CO[C@H]1C[C@@H]1C(=O)O | 2 | 2 |
| mol12352 | O=C1COC(=O)C1Cl | 2 | 2 |
| mol12353 | O=C1COC(=O)C1I | 2 | 2 |
| mol12354 | O=C1COC(=O)C1Br | 2 | 2 |
| mol12355 | CCCc1nnn[nH]1 | 2 | 2 |
| mol12356 | CC(C)c1nnn[nH]1 | 2 | 2 |
| mol12357 | Cc1nnc(S)n1N | 2 | 2 |
| mol12358 | CSc1nc(N)n[nH]1 | 2 | 4 |
| mol12359 | N[C@H]1CCCC[C@@H]1N | 2 | 2 |
| mol12360 | Cc1nccnc1C | 3 | 3 |