| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol31161 | O=CC(O)C(O)C(O)CO | 2 | 4 |
| mol31162 | C=C(O)c1ccc(OC)cc1 | 0 | 0 |
| mol31163 | CC/N=C/C=C/C=C/NCC | 2 | 3 |
| mol31164 | O=c1ccccc(S)c1O | 2 | 3 |
| mol31165 | C=C(O)c1ccc(Cl)cc1 | 0 | 0 |
| mol31166 | C=C(O)c1cccc(Cl)c1 | 0 | 0 |
| mol31167 | CC1(C)C(=O)C=C(O)C=C1O | 3 | 4 |
| mol31168 | CC(C)C1=C(O)C(=O)CC1=O | 0 | 0 |
| mol31169 | CC1(C)C(=O)NC(=O)NC1=O | 2 | 2 |
| mol31170 | CC1=C(O)c2ccccc2C1=O | 2 | 2 |
| mol31171 | OC(O)=C1C=Cc2ccccc21 | 3 | 3 |
| mol31172 | CC1(O)OC(C)(C)C(C)(C)O1 | 2 | 2 |
| mol31173 | C=C(C)c1cccc(=O)c(O)c1 | 2 | 2 |
| mol31174 | CN1c2ccccc2N=CC1O | 2 | 3 |
| mol31175 | CN1N=Cc2ccccc2C1O | 2 | 2 |
| mol31176 | NC(=O)/C=C(\O)c1ccccc1 | 2 | 2 |
| mol31177 | OC(O)C(Cl)(Cl)Cl | 2 | 2 |
| mol31178 | CC1=C(C)C(=O)C(C)=C(C)C1=O | 0 | 0 |
| mol31179 | CC(C)c1ccccc(O)c1=O | 2 | 2 |
| mol31180 | OCCC(O)(CCO)CCO | 0 | 0 |