| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol3641 | CC(C)(C)c1cccnc1 | 2 | 2 |
| mol3642 | CC(C)(C)c1ccncc1 | 2 | 2 |
| mol3643 | NC(=O)c1ccccn1 | 3 | 3 |
| mol3644 | NC(=O)c1cccnc1 | 4 | 4 |
| mol3645 | NC(=O)c1ccncc1 | 3 | 3 |
| mol3646 | O=C(O)c1ccccn1 | 3 | 4 |
| mol3647 | O=C(O)c1ccncc1 | 3 | 4 |
| mol3648 | Cn1cc(C(=O)O)ccc1=O | 3 | 4 |
| mol3649 | Cc1cccc(C(=O)O)n1 | 3 | 4 |
| mol3650 | Clc1ccccn1 | 2 | 2 |
| mol3651 | Clc1cccnc1 | 2 | 2 |
| mol3652 | Clc1ccncc1 | 2 | 2 |
| mol3653 | O=[N+]([O-])c1cccnc1Cl | 2 | 2 |
| mol3654 | Clc1ccc(C#Cc2ccncc2)cc1 | 0 | 0 |
| mol3655 | Clc1ccc(/C=C/c2ccncc2)cc1 | 0 | 0 |
| mol3656 | CN(C)CCN(c1ccccn1)c1ccc(Cl)s1 | 2 | 2 |
| mol3657 | N#Cc1ccccn1 | 2 | 2 |
| mol3658 | N#Cc1cccnc1 | 2 | 2 |
| mol3659 | N#Cc1ccncc1 | 2 | 2 |
| mol3660 | Nc1ccncc1N | 3 | 5 |