| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol13741 | COc1ccccc1-c1nnn[nH]1 | 2 | 2 |
| mol13742 | COc1cccc(-c2nnn[nH]2)c1 | 2 | 2 |
| mol13743 | COc1ccc(-c2nnn[nH]2)cc1 | 3 | 4 |
| mol13744 | CC1=Nc2ccccc2N=C(C)C1 | 2 | 2 |
| mol13745 | C1CCN(CCCN2CCCC2)C1 | 3 | 3 |
| mol13746 | Cc1nc(-c2ccccc2)[nH]c1C | 2 | 2 |
| mol13747 | N#Cc1ccc(N)c2ccccc12 | 2 | 2 |
| mol13748 | CN1CCCCC1c1cccnc1 | 2 | 2 |
| mol13749 | Cc1ccc(C2CCCN2C)cn1 | 2 | 2 |
| mol13750 | Cc1ccc2c(c1)C(CCN)CN2 | 2 | 2 |
| mol13751 | CC1CCN(c2ccncc2)CC1 | 2 | 3 |
| mol13752 | NCC[n+]1ccc2ccccc2c1 | 2 | 2 |
| mol13753 | C[n+]1ccccc1-c1ccccn1 | 2 | 2 |
| mol13754 | S=C1NC(=S)C(c2ccccc2)N1 | 3 | 5 |
| mol13755 | Nc1ncc(Sc2ccccc2)s1 | 2 | 3 |
| mol13756 | Clc1cccc(-c2ccccn2)n1 | 2 | 3 |
| mol13757 | Clc1ccnc(-c2ccccn2)c1 | 2 | 3 |
| mol13758 | c1ccc(CNc2nccs2)cc1 | 2 | 3 |
| mol13759 | CN1CCCC1c1ccc(Cl)nc1 | 2 | 2 |
| mol13760 | Cc1nc2c(O)ccc(O)c2n1C | 3 | 4 |