| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol13601 | Cc1nn(C)c(C)c1Cl | 2 | 2 |
| mol13602 | C1CNCCSCCN1 | 3 | 3 |
| mol13603 | CN=c1scc(C)n1C | 2 | 2 |
| mol13604 | Cc1cnc(N(C)C)s1 | 2 | 3 |
| mol13605 | O=C(O)c1cccnn1 | 2 | 2 |
| mol13606 | O=C(O)c1cnccn1 | 3 | 4 |
| mol13607 | CC1(C)NC(=O)NC1=O | 2 | 3 |
| mol13608 | O=C(O)c1ccnnc1 | 2 | 3 |
| mol13609 | NS(=O)(=O)c1nccs1 | 2 | 2 |
| mol13610 | O=C1CC(=O)NC(=S)N1 | 3 | 5 |
| mol13611 | COCc1nc(C)c[nH]1 | 2 | 2 |
| mol13612 | NC(=O)C1CCCCN1 | 2 | 2 |
| mol13613 | CC(=O)n1ccnc1C | 2 | 2 |
| mol13614 | Cc1cc(=O)n(C)cn1 | 2 | 2 |
| mol13615 | O/N=C/c1ccncc1 | 3 | 4 |
| mol13616 | O/N=C/c1ccccn1 | 3 | 4 |
| mol13617 | COc1cnccc1N | 2 | 3 |
| mol13618 | OCCN1CCNCC1 | 3 | 4 |
| mol13619 | Cc1nc(CO)[nH]c1C | 2 | 2 |
| mol13620 | COc1nccc(C)n1 | 2 | 3 |