| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol13541 | c1ccc2scnc2c1 | 2 | 2 |
| mol13542 | O=C1NC(=O)C2CCC12 | 2 | 2 |
| mol13543 | O=C1CN2CCC1CC2 | 2 | 2 |
| mol13544 | OC1CN2CCC1CC2 | 2 | 2 |
| mol13545 | Sc1ccc(Cl)c(Cl)c1 | 2 | 2 |
| mol13546 | O=C1COCC(=O)C1=O | 2 | 2 |
| mol13547 | O=C(O)C1COCCO1 | 2 | 2 |
| mol13548 | O=C(O)C1(C(=O)O)CC1 | 3 | 3 |
| mol13549 | O=C1COC=C(O)C1=O | 2 | 3 |
| mol13550 | O=c1cccc(O)cc1 | 2 | 2 |
| mol13551 | CC1(C)CC(=O)CC1=O | 2 | 2 |
| mol13552 | CC1CCCC(=O)C1=O | 2 | 3 |
| mol13553 | OC(O)c1ccccc1 | 2 | 2 |
| mol13554 | O=c1ccccc(O)c1 | 2 | 2 |
| mol13555 | Cc1cc(O)cc(C)[o+]1 | 2 | 2 |
| mol13556 | O=C(O)c1csc(Cl)c1 | 2 | 2 |
| mol13557 | O=C(O)c1csc(Br)c1 | 2 | 2 |
| mol13558 | O=C(O)Cc1ccsc1 | 2 | 2 |
| mol13559 | Cc1cc(C(=O)O)cs1 | 2 | 2 |
| mol13560 | CC1(C)CC=CC(=O)C1 | 0 | 0 |