| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol6621 | c1ccc(-n2cccc2)cc1 | 0 | 0 |
| mol6622 | CN1CCCC1=O | 2 | 2 |
| mol6623 | CC(C)=CN1CCCC1 | 0 | 0 |
| mol6624 | CC1C(C)C(C)(C)NC1(C)C | 0 | 0 |
| mol6625 | S=C1NCCCN1 | 2 | 2 |
| mol6626 | CC(=O)OCc1c[nH]cn1 | 2 | 2 |
| mol6627 | CC(=O)NCCc1c[nH]cn1 | 2 | 2 |
| mol6628 | CC(=O)NCCc1nc(I)[nH]c1I | 2 | 2 |
| mol6629 | CC(=O)NCCc1nc[nH]c1I | 3 | 3 |
| mol6630 | CC(=O)c1ccc(-n2ccnc2)cc1 | 2 | 2 |
| mol6631 | Nc1ncc[nH]1 | 2 | 3 |
| mol6632 | NC(CBr)Cc1c[nH]cn1 | 3 | 4 |
| mol6633 | Cc1nc(N)[nH]c1C | 2 | 3 |
| mol6634 | NCCc1ncc[nH]1 | 0 | 0 |
| mol6635 | NCCc1nc(I)[nH]c1I | 4 | 5 |
| mol6636 | NCCc1nc[nH]c1I | 4 | 5 |
| mol6637 | Cn1cncc1CCN | 0 | 0 |
| mol6638 | Cn1ccnc1N | 2 | 3 |
| mol6639 | CSC(=O)c1ncn(C)c1N | 2 | 3 |
| mol6640 | CSC(=O)c1[nH]cnc1N | 3 | 4 |