| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol1401 | C[n+]1cccc2cc(O)ccc21 | 2 | 2 |
| mol1402 | C[n+]1cccc2cccc(O)c21 | 2 | 2 |
| mol1403 | Oc1ccccc1F | 2 | 2 |
| mol1404 | C1CN2CCC1CC2 | 2 | 2 |
| mol1405 | c1ccc([C@@H]2CN3CCC2CC3)cc1 | 2 | 2 |
| mol1406 | C1=C(c2ccccc2)C2CCN1CC2 | 2 | 2 |
| mol1407 | Oc1ccccc1Cl | 2 | 2 |
| mol1408 | Oc1cccc(Cl)c1 | 2 | 2 |
| mol1409 | Oc1ccc(Cl)cc1 | 2 | 2 |
| mol1410 | Oc1cccc2scnc12 | 3 | 3 |
| mol1411 | Oc1ccc(Br)cc1 | 2 | 2 |
| mol1412 | Oc1cc2ccccc2nn1 | 3 | 4 |
| mol1413 | Oc1cnnc2ccccc12 | 3 | 4 |
| mol1414 | Oc1ccccc1I | 2 | 2 |
| mol1415 | Oc1ccc2nnccc2c1 | 3 | 4 |
| mol1416 | Oc1ccc2ccnnc2c1 | 3 | 4 |
| mol1417 | Oc1cccc2ccnnc12 | 3 | 4 |
| mol1418 | Cc1cnnc2c(O)cccc12 | 3 | 4 |
| mol1419 | Oc1ccc(I)cc1 | 2 | 2 |
| mol1420 | Oc1cncc2cccnc12 | 3 | 4 |