| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol15821 | c1ccc2[nH]c(-c3ccncc3)nc2c1 | 4 | 5 |
| mol15822 | CCCS | 2 | 2 |
| mol15823 | C[Se](=O)O | 2 | 2 |
| mol15824 | C[Se](C)=O | 0 | 0 |
| mol15825 | NNC=O | 2 | 2 |
| mol15826 | N/C=N/O | 2 | 2 |
| mol15827 | CCC#N | 0 | 0 |
| mol15828 | CCNCl | 2 | 2 |
| mol15829 | O=C(O)C1CC1 | 2 | 2 |
| mol15830 | O=P1(O)CCC1 | 2 | 2 |
| mol15831 | Cc1nnn[nH]1 | 3 | 4 |
| mol15832 | Clc1nnn[nH]1 | 2 | 2 |
| mol15833 | Ic1nnn[nH]1 | 3 | 5 |
| mol15834 | Brc1nnn[nH]1 | 3 | 5 |
| mol15835 | CC1[C@H](N)[C@H]1N | 2 | 2 |
| mol15836 | C[C@@H]1[C@@H](N)[C@H]1N | 0 | 0 |
| mol15837 | C[C@]1(N)C[C@@H]1N | 3 | 4 |
| mol15838 | O=C1NCCN1 | 2 | 2 |
| mol15839 | Sc1nnco1 | 2 | 2 |
| mol15840 | O=C1CCON1 | 2 | 2 |