| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12781 | O=C(O)c1nc2ccccc2[nH]1 | 2 | 2 |
| mol12782 | O=Nc1c(O)ccc2ncsc12 | 2 | 2 |
| mol12783 | CCOc1ccc2[nH]cnc2c1 | 2 | 2 |
| mol12784 | CC(=O)n1cnc2ccccc21 | 2 | 2 |
| mol12785 | Oc1cc(-c2ccccc2)n[nH]1 | 2 | 3 |
| mol12786 | ONc1ccnc2ccccc12 | 2 | 2 |
| mol12787 | c1cc(N2CCOCC2)ccn1 | 2 | 3 |
| mol12788 | Cc1ccc2[nH]c(CO)nc2c1 | 3 | 3 |
| mol12789 | OCc1nc2cc(Cl)ccc2[nH]1 | 3 | 3 |
| mol12790 | N/N=C/c1ncnc2nc[nH]c12 | 3 | 7 |
| mol12791 | Nc1nc2nc[nH]c2c(N)[n+]1[O-] | 3 | 4 |
| mol12792 | Nc1nc2nc[nH]c2c(N)[n+]1O | 2 | 10 |
| mol12793 | c1ccc(CC2=NCCC2)cc1 | 2 | 2 |
| mol12794 | Cc1ccc(C2=NCCC2)cc1 | 2 | 2 |
| mol12795 | Cc1ccc2c(c1)cc(C)n2C | 0 | 0 |
| mol12796 | Clc1ccc(C2NCCS2)cc1 | 2 | 2 |
| mol12797 | Ic1cccc(C2NCCS2)c1 | 2 | 2 |
| mol12798 | Brc1ccc(C2NCCS2)cc1 | 2 | 2 |
| mol12799 | Nc1ccc2c(c1Br)CCCC2 | 2 | 2 |
| mol12800 | Nc1cc2c(cc1Br)CCCC2 | 2 | 2 |