| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol1061 | COc1ccccc1N | 2 | 2 |
| mol1062 | COc1cccc(N)c1 | 2 | 2 |
| mol1063 | COc1cccc(C(=O)O)c1CO | 2 | 2 |
| mol1064 | COC(=O)c1ccccc1N | 2 | 2 |
| mol1065 | COC(=O)c1cccc(N)c1 | 2 | 2 |
| mol1066 | COC(=O)c1ccc(N)cc1 | 2 | 2 |
| mol1067 | COC(=O)c1ccccc1N(C)C | 2 | 2 |
| mol1068 | COC(=O)c1cccc(N(C)C)c1 | 2 | 2 |
| mol1069 | CNc1ccccc1C(=O)OC | 2 | 2 |
| mol1070 | CNc1ccc(C(=O)OC)cc1 | 2 | 2 |
| mol1071 | COc1ccc(N(C)C)cc1 | 2 | 2 |
| mol1072 | COc1cc(N)cc([N+](=O)[O-])c1 | 2 | 2 |
| mol1073 | CNc1ccccc1 | 2 | 2 |
| mol1074 | Cc1cccc(N)c1 | 2 | 2 |
| mol1075 | Cc1ccc(N)cc1 | 2 | 2 |
| mol1076 | Cc1ccc(N)cc1[N+](=O)[O-] | 2 | 2 |
| mol1077 | CS(=O)(=O)c1cccc(N)c1 | 2 | 2 |
| mol1078 | CS(=O)(=O)c1ccc(N)cc1 | 2 | 2 |
| mol1079 | CSc1cccc(N)c1 | 2 | 2 |
| mol1080 | CSc1ccc(N)cc1 | 2 | 2 |