| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4761 | OC1NC=Nc2nccnc21 | 4 | 9 |
| mol4762 | Oc1ncnc2c1NCC=N2 | 4 | 6 |
| mol4763 | OC1=Nc2ncncc2NC1 | 3 | 6 |
| mol4764 | Oc1ncc2c(n1)NCC=N2 | 3 | 6 |
| mol4765 | Oc1ncnc2c1N=CCN2 | 4 | 11 |
| mol4766 | OC1=Nc2cncnc2NC1 | 3 | 5 |
| mol4767 | CC1=Nc2c(C)nc(O)nc2NC1 | 4 | 7 |
| mol4768 | Cc1nc2c(=O)nc(O)nc-2n(CCO)c1C | 4 | 6 |
| mol4769 | Cc1cnc2c(n1)CNC(O)=N2 | 4 | 8 |
| mol4770 | CC1=Nc2nccnc2C(O)N1 | 2 | 4 |
| mol4771 | Cc1cnc2c(n1)N=CNC2O | 3 | 5 |
| mol4772 | CC1=Nc2cnc(O)nc2NC1 | 4 | 7 |
| mol4773 | Cn1c(=O)nc(O)c2nccnc21 | 2 | 2 |
| mol4774 | CN1C(=O)c2nccnc2NC1O | 2 | 2 |
| mol4775 | Cc1nc2c(=O)nc(O)nc-2n(C)c1C | 3 | 5 |
| mol4776 | Cn1cnc(=N)c2nccnc21 | 2 | 5 |
| mol4777 | Cc1nc2c(=N)ncn(C)c2nc1C | 2 | 5 |
| mol4778 | Cc1nc2cnc(=N)nc-2n(C)c1C | 2 | 5 |
| mol4779 | CN=c1ncn(C)c2nccnc12 | 2 | 5 |
| mol4780 | Cn1c(=O)ncc2nccnc21 | 0 | 0 |