| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol13921 | CCNCC(=O)c1ccc(O)cc1 | 2 | 3 |
| mol13922 | N#CC(Cc1ccccc1)C(=O)O | 2 | 2 |
| mol13923 | CC(=NO)c1cc(C)c(C)cc1O | 2 | 2 |
| mol13924 | CCC1=CC(=O)C=C(CC)C1=NO | 2 | 2 |
| mol13925 | COc1ccccc1/C=C/C=N\O | 2 | 2 |
| mol13926 | COc1ccccc1/C=C/C=N/O | 2 | 2 |
| mol13927 | N#CCC(C(=O)O)c1ccccc1 | 2 | 2 |
| mol13928 | N#CC(=CC(=O)O)c1ccccc1 | 2 | 2 |
| mol13929 | N#CC(CC(=O)O)c1ccccc1 | 2 | 2 |
| mol13930 | COCCNc1cccc(OC)c1 | 2 | 2 |
| mol13931 | CCc1cnc(C(=O)O)cc1CC | 2 | 2 |
| mol13932 | CCCCc1ccc(C(=O)O)nc1 | 2 | 3 |
| mol13933 | C[N+]1(CCCC(=O)O)CCCCC1 | 2 | 2 |
| mol13934 | C[N+](C)(C)Cc1cccc(O)c1O | 2 | 3 |
| mol13935 | C=CCC1(CC=C)SC(=O)NC1=O | 2 | 2 |
| mol13936 | CCCC1(CCC)SC(=O)NC1=O | 2 | 2 |
| mol13937 | COC(=O)c1ccc(NC=S)cc1 | 2 | 2 |
| mol13938 | COC(=O)c1cccc(NC=S)c1 | 2 | 2 |
| mol13939 | CCc1ccc(O)c(CN(C)C)c1 | 2 | 3 |
| mol13940 | CCN(CC)Cc1ccccc1O | 2 | 3 |