| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol8981 | C#CC(=O)O | 2 | 2 |
| mol8982 | N#CCC#N | 2 | 2 |
| mol8983 | N#Cc1[nH]nnc1N | 2 | 2 |
| mol8984 | C#CCO | 2 | 2 |
| mol8985 | CC(=O)C=O | 0 | 0 |
| mol8986 | O=C(O)C(O)C(=O)O | 3 | 3 |
| mol8987 | CC(O)C(=O)O | 3 | 5 |
| mol8988 | O=C(O)CCO | 2 | 2 |
| mol8989 | CCCO | 2 | 2 |
| mol8990 | CC(O)CO | 2 | 3 |
| mol8991 | OCCCO | 2 | 2 |
| mol8992 | CC(C)OO | 2 | 2 |
| mol8993 | OCC(O)CO | 2 | 3 |
| mol8994 | O=C(C(F)(F)F)C(F)(F)F | 0 | 0 |
| mol8995 | O=C(O)C#CCl | 2 | 2 |
| mol8996 | O=C(O)C#CBr | 2 | 2 |
| mol8997 | O=C(O)C(F)(F)C(F)(F)F | 2 | 2 |
| mol8998 | O=C(C(F)F)C(F)F | 0 | 0 |
| mol8999 | O=c1cnnc[nH]1 | 2 | 2 |
| mol9000 | O=c1cn[nH]c(=O)[nH]1 | 3 | 4 |