| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol13521 | CNC(=O)/C=C\C(=O)O | 2 | 2 |
| mol13522 | CNCCN(C)CCN | 4 | 6 |
| mol13523 | CCN(CC)/N=C(\C)N | 2 | 3 |
| mol13524 | CN(C)CCNCCN | 4 | 6 |
| mol13525 | NC(=O)CC(N)C(N)=O | 2 | 2 |
| mol13526 | N#CC(O)=C(C#N)C#N | 2 | 2 |
| mol13527 | CN1C2CCC(C2)N1C | 2 | 2 |
| mol13528 | C1CN=C2NCCC2C1 | 2 | 2 |
| mol13529 | Cc1csc2nccn12 | 2 | 2 |
| mol13530 | CC1=CSC2=NCCN12 | 2 | 2 |
| mol13531 | c1ccc2c(c1)CCN2 | 2 | 2 |
| mol13532 | c1ccc(C2CN2)cc1 | 2 | 2 |
| mol13533 | CC1CN2CCC1CC2 | 2 | 2 |
| mol13534 | CC(C)N1C2CCCC21 | 2 | 2 |
| mol13535 | CC1CC2CCN1CC2 | 2 | 2 |
| mol13536 | C[C@@H]1CCN2CC=C[C@H]12 | 2 | 2 |
| mol13537 | C[C@@H]1CC[C@@H]2CCCN21 | 2 | 2 |
| mol13538 | C[C@H]1CC[C@@H]2CCCN21 | 2 | 2 |
| mol13539 | ClC1CC2CCN1CC2 | 2 | 2 |
| mol13540 | ClC1CN2CCC1CC2 | 2 | 2 |