| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol6541 | O=S(=O)(Cc1ccncc1)c1ccccc1 | 2 | 2 |
| mol6542 | CCCc1ccncc1 | 2 | 2 |
| mol6543 | C(=C/c1ccccn1)\c1ccccn1 | 0 | 0 |
| mol6544 | C(=C/c1ccccn1)\c1cccnc1 | 0 | 0 |
| mol6545 | C(=C/c1ccccn1)\c1ccncc1 | 0 | 0 |
| mol6546 | C(=C/c1cccnc1)\c1cccnc1 | 0 | 0 |
| mol6547 | C(=C/c1cccnc1)\c1ccncc1 | 0 | 0 |
| mol6548 | C(=C/c1ccncc1)\c1ccncc1 | 2 | 2 |
| mol6549 | c1ccc(CCNCCc2ccccn2)nc1 | 4 | 6 |
| mol6550 | c1ccc(CCNCc2ccccn2)nc1 | 4 | 6 |
| mol6551 | c1ccc(CNCCNCc2ccccn2)nc1 | 5 | 8 |
| mol6552 | c1ccc(CNCc2ccccn2)nc1 | 4 | 6 |
| mol6553 | c1cncc(CNCc2cccnc2)c1 | 4 | 5 |
| mol6554 | C(=C/c1cccnc1)\c1ccccc1 | 0 | 0 |
| mol6555 | O=S(=O)(O)c1ccccn1 | 2 | 3 |
| mol6556 | O=S(=O)(O)c1ccncc1 | 2 | 2 |
| mol6557 | Brc1cnc(Br)c(Br)c1Br | 2 | 2 |
| mol6558 | Brc1cc(Br)c(Br)nc1Br | 2 | 2 |
| mol6559 | O=C(O)c1cc(C(=O)O)c(C(=O)O)nc1C(=O)O | 4 | 11 |
| mol6560 | Clc1cc(Cl)c(Cl)nc1Cl | 2 | 2 |