| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol13121 | NC(CCC(=O)O)C(=O)O | 4 | 4 |
| mol13122 | C=C(C)C(=O)OCCNC | 2 | 2 |
| mol13123 | CC(O)CN(C)CC(C)O | 2 | 2 |
| mol13124 | CCCCCCC(=O)NO | 2 | 2 |
| mol13125 | C=C(C)C(=O)OCCCN | 2 | 2 |
| mol13126 | CC(C#N)C(C)(C)C(=O)O | 2 | 2 |
| mol13127 | CCN(CC)CC(O)CO | 2 | 2 |
| mol13128 | C=CC(=O)OCCN(C)C | 2 | 2 |
| mol13129 | CC(C)CCC(N)C(=O)O | 2 | 2 |
| mol13130 | CCC(C)CC(N)C(=O)O | 2 | 2 |
| mol13131 | CCCCNCCC(=O)O | 3 | 3 |
| mol13132 | CCCOC(=S)NC(C)=O | 2 | 2 |
| mol13133 | CCN(CC)C(C)(C)C=O | 2 | 2 |
| mol13134 | N[C@@H](C(=O)O)[C@H](O)C(=O)O | 3 | 4 |
| mol13135 | N[C@H](C(=O)O)[C@H](O)C(=O)O | 3 | 4 |
| mol13136 | COP(=O)(O)NS(C)(=O)=O | 3 | 4 |
| mol13137 | CNC(=O)C=C(C)C(=O)O | 2 | 2 |
| mol13138 | CC(C)=C(C(N)=O)C(=O)O | 2 | 2 |
| mol13139 | CC(=O)NC(CS)C(=O)O | 3 | 3 |
| mol13140 | CN(CCC#N)CCC#N | 2 | 2 |