| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4141 | Nc1cnc(O)nc1N | 3 | 6 |
| mol4142 | Nc1ncnc(O)c1N | 4 | 13 |
| mol4143 | Nc1cc(N)nc(O)n1 | 3 | 4 |
| mol4144 | Cc1c(N)nc(N)nc1O | 3 | 6 |
| mol4145 | CNc1nc(N)c(N)c(O)n1 | 3 | 7 |
| mol4146 | Nc1cnc(S)nc1N | 3 | 6 |
| mol4147 | Cc1cc(N)nc(N)n1 | 2 | 5 |
| mol4148 | CNc1ncnc(N)c1N | 2 | 6 |
| mol4149 | CSc1cc(N)nc(N)n1 | 2 | 5 |
| mol4150 | CSc1ncc(N)c(N)n1 | 2 | 5 |
| mol4151 | CCOC(OCC)c1cc(O)ncn1 | 3 | 4 |
| mol4152 | CSc1nc(C)cc(=O)n1C | 2 | 2 |
| mol4153 | Cc1ccn(C)c(=O)n1 | 2 | 2 |
| mol4154 | COc1nc(=N)ccn1C | 0 | 0 |
| mol4155 | Cn1cccnc1=N | 2 | 3 |
| mol4156 | Cn1ccc(=N)nc1 | 2 | 3 |
| mol4157 | CNc1nc(=N)ccn1C | 2 | 4 |
| mol4158 | CSc1nc(=N)ccn1C | 2 | 3 |
| mol4159 | Cc1cc(C)n(C)c(=N)n1 | 2 | 3 |
| mol4160 | COc1ccn(C)c(=O)n1 | 0 | 0 |