smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1ccccc1O[C@@H]1OC[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 95921652 CURNKPXYSFMDNI-NDOLLRKASA-N 403.340 -2.124 5 30 HABC CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O 13513635 UGJNMWVITHXKNR-DHGKCCLASA-N 422.368 -1.256 5 30 HABC in-vitro Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1N(C)C 2558223 NBVTXZSNULQRFW-XHSDSOJGSA-N 404.423 -1.361 5 30 HABC