| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol8821 | CC(C)[C@@H](N)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 | 3 | 5 |
| mol8822 | NNc1ccccc1C(=O)O | 2 | 5 |
| mol8823 | NNc1cccc(C(=O)O)c1 | 2 | 5 |
| mol8824 | NNc1ccc(C(=O)O)cc1 | 2 | 5 |
| mol8825 | CN(N)c1ccccc1C(=O)O | 2 | 4 |
| mol8826 | CN(N)c1cccc(C(=O)O)c1 | 2 | 5 |
| mol8827 | CN(N)c1ccc(C(=O)O)cc1 | 2 | 5 |
| mol8828 | NN(Cl)c1ccccc1 | 2 | 3 |
| mol8829 | NNc1cccc(Cl)c1 | 3 | 4 |
| mol8830 | NNc1ccc(Cl)cc1 | 3 | 4 |
| mol8831 | CN(N)c1ccccc1Cl | 2 | 3 |
| mol8832 | CN(N)c1cccc(Cl)c1 | 2 | 3 |
| mol8833 | CN(N)c1ccc(Cl)cc1 | 2 | 3 |
| mol8834 | N#CCCNN | 2 | 3 |
| mol8835 | N#Cc1cccc(NN)c1 | 2 | 3 |
| mol8836 | N#Cc1ccc(NN)cc1 | 2 | 3 |
| mol8837 | CN(N)c1ccc(Br)cc1Br | 2 | 3 |
| mol8838 | NNc1ccc(Cl)cc1Cl | 2 | 3 |
| mol8839 | NNc1cc(Cl)ccc1Cl | 2 | 3 |
| mol8840 | NNc1ccc(Cl)c(Cl)c1 | 2 | 3 |