| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol3101 | NCCNCc1ccco1 | 3 | 4 |
| mol3102 | NCCNCCO | 3 | 4 |
| mol3103 | CC(O)CNCCN | 3 | 4 |
| mol3104 | NCCNCCCO | 3 | 4 |
| mol3105 | CC(C)NCCN | 3 | 4 |
| mol3106 | CNCCN | 3 | 4 |
| mol3107 | Cc1ccc(CNCCN)cc1 | 3 | 4 |
| mol3108 | NCCNc1ccccc1 | 3 | 3 |
| mol3109 | CCCNCCN | 3 | 4 |
| mol3110 | NCCOCCOCCN | 2 | 2 |
| mol3111 | NCCNCCNCCN | 5 | 7 |
| mol3112 | NCCSCCSCCN | 2 | 2 |
| mol3113 | COCCN(CCCl)CCCl | 2 | 2 |
| mol3114 | NCCN(CCN)CCN(CCN)CCN | 7 | 14 |
| mol3115 | CCCCNCCNCCCC | 3 | 3 |
| mol3116 | CCN(CCC#N)CCC#N | 2 | 2 |
| mol3117 | CCN(CC#N)CC#N | 2 | 2 |
| mol3118 | CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O | 3 | 3 |
| mol3119 | CN(C)CCN(C)CCN(C)CCN(C)C | 5 | 7 |
| mol3120 | CCNCCNCC | 3 | 3 |