| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol6781 | CS(=O)(=O)c1cnccn1 | 2 | 3 |
| mol6782 | [O-][n+]1ccncc1 | 0 | 0 |
| mol6783 | Nc1c[n+]([O-])ccn1 | 0 | 0 |
| mol6784 | [O-][n+]1ccnc(Cl)c1 | 0 | 0 |
| mol6785 | N#Cc1c[n+]([O-])ccn1 | 0 | 0 |
| mol6786 | CN(C)c1c[n+]([O-])ccn1 | 0 | 0 |
| mol6787 | COc1c[n+]([O-])ccn1 | 0 | 0 |
| mol6788 | Cc1c[n+]([O-])ccn1 | 0 | 0 |
| mol6789 | [O-][n+]1ccnc(N2CCCCC2)c1 | 0 | 0 |
| mol6790 | Cc1c(N)c(=O)n(-c2ccccc2)n1C | 3 | 3 |
| mol6791 | CCn1nc(C)c(N)c1C | 0 | 0 |
| mol6792 | Cn1ncc([N+](=O)[O-])c1N | 0 | 0 |
| mol6793 | CCCCCn1nc(C)cc1N | 2 | 3 |
| mol6794 | Cc1cc(N)n(-c2ccccc2)n1 | 2 | 3 |
| mol6795 | Nc1n[nH]cc1[N+](=O)[O-] | 2 | 2 |
| mol6796 | Nc1ccn(-c2ccccc2)n1 | 2 | 3 |
| mol6797 | Nc1cnn(-c2ccccc2)c1 | 2 | 3 |
| mol6798 | Nc1ccnn1-c1ccccc1 | 2 | 3 |
| mol6799 | Cc1nn(C)c(C)c1N | 0 | 0 |
| mol6800 | Brc1cn[nH]c1 | 3 | 3 |