| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol5441 | NC(=NO)C(N)Cc1ccccc1 | 2 | 2 |
| mol5442 | NNC(=O)C(N)Cc1ccccc1 | 2 | 2 |
| mol5443 | COC(=O)C(N)Cc1ccccc1 | 2 | 2 |
| mol5444 | O=P(O)(O)CCCNc1ccccc1 | 4 | 5 |
| mol5445 | O=C(O)CNc1ccccc1 | 3 | 4 |
| mol5446 | CC(=O)c1cccc(NCC(=O)O)c1 | 3 | 4 |
| mol5447 | O=C(O)CNc1cccc(Cl)c1 | 3 | 4 |
| mol5448 | O=C(O)CNc1ccc(Cl)cc1 | 3 | 4 |
| mol5449 | N#Cc1cccc(NCC(=O)O)c1 | 3 | 4 |
| mol5450 | COc1cccc(NCC(=O)O)c1 | 3 | 4 |
| mol5451 | COc1ccc(NCC(=O)O)cc1 | 3 | 3 |
| mol5452 | Cc1cccc(NCC(=O)O)c1 | 3 | 4 |
| mol5453 | Cc1ccc(NCC(=O)O)cc1 | 3 | 3 |
| mol5454 | O=C(O)CNc1cccc([N+](=O)[O-])c1 | 3 | 4 |
| mol5455 | CCOC(=O)CNc1ccccc1 | 2 | 2 |
| mol5456 | CCOC(=O)CNc1cccc(C(C)=O)c1 | 2 | 2 |
| mol5457 | CCOC(=O)CNc1cccc(Cl)c1 | 2 | 2 |
| mol5458 | CCOC(=O)CNc1ccc(Cl)cc1 | 2 | 2 |
| mol5459 | CCOC(=O)CNc1cccc(C#N)c1 | 2 | 2 |
| mol5460 | CCOC(=O)CNc1cccc(OC)c1 | 2 | 2 |