| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol13581 | O=C(O)Cn1cnnn1 | 4 | 6 |
| mol13582 | O=C(O)Cc1nnn[nH]1 | 3 | 5 |
| mol13583 | Nc1c[nH]nc1[N+](=O)[O-] | 2 | 2 |
| mol13584 | NCc1ccc(N)cc1 | 3 | 3 |
| mol13585 | NCCc1ccncc1 | 3 | 4 |
| mol13586 | Cc1cc(N)c(C)cn1 | 2 | 3 |
| mol13587 | NCCc1cccnc1 | 3 | 3 |
| mol13588 | CN(C)C1CCNCC1 | 3 | 4 |
| mol13589 | N#CCc1cccnc1 | 2 | 2 |
| mol13590 | CN1CCC=C(C#N)C1 | 2 | 2 |
| mol13591 | CN1CCCCCN1C | 2 | 2 |
| mol13592 | CN1C=C(C#N)C=CC1 | 0 | 0 |
| mol13593 | CN1C=C(C#N)CCC1 | 0 | 0 |
| mol13594 | CCCCn1ccnc1 | 2 | 2 |
| mol13595 | CCCn1ccnc1C | 2 | 2 |
| mol13596 | Cc1cc(C)nc(N)c1 | 2 | 3 |
| mol13597 | CC1CN(C)CCN1C | 3 | 4 |
| mol13598 | CN(C)c1ncc(Br)s1 | 2 | 3 |
| mol13599 | Cc1cc(S)nc(S)n1 | 3 | 4 |
| mol13600 | Cn1c(S)nccc1=S | 2 | 2 |