| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4001 | c1cn[nH]c1 | 3 | 3 |
| mol4002 | CC1(C)C(=O)NN=C1N | 2 | 2 |
| mol4003 | CC(C)C1C(=O)NN=C1N | 2 | 2 |
| mol4004 | NC1=NNC(=O)C1 | 2 | 2 |
| mol4005 | NC1=NN(c2ccccc2)C(=O)C1 | 2 | 2 |
| mol4006 | NCCc1cc[nH]n1 | 3 | 3 |
| mol4007 | Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C | 3 | 3 |
| mol4008 | Cc1cc(=O)n(-c2ccccc2)n1C | 2 | 2 |
| mol4009 | Cc1cc(=O)n(-c2ccccc2)[nH]1 | 2 | 2 |
| mol4010 | O=c1cc[nH][nH]1 | 3 | 4 |
| mol4011 | Cc1ccn(C)n1 | 2 | 2 |
| mol4012 | Cc1cc(C)[nH]n1 | 3 | 3 |
| mol4013 | Cn1cccn1 | 2 | 2 |
| mol4014 | Cc1ccn[nH]1 | 3 | 3 |
| mol4015 | c1ccnnc1 | 2 | 2 |
| mol4016 | Nc1cccnn1 | 2 | 4 |
| mol4017 | Nc1ccnnc1 | 2 | 4 |
| mol4018 | Cc1ccc(N)nn1 | 2 | 4 |
| mol4019 | CCCCc1cccnn1 | 2 | 3 |
| mol4020 | NC(=O)c1cccnn1 | 2 | 3 |