smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C(Cc1c[nH]c(=O)[n-]c1=O)(C(=O)OCC)[N+](=O)[O-] ZINC000001562213 374236576 /nfs/dbraw/zinc/23/65/76/374236576.db2.gz WFXSESHQUVHIIH-UHFFFAOYSA-N -1 3 329.265 -1.253 40 30 EAEBHM NC(=NO)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2[nH]cnc(=N[O-])c12 ZINC000033913331 526807387 /nfs/dbraw/zinc/80/73/87/526807387.db2.gz VDRNYDUPTSTUEE-VBKWPLKRSA-N -1 3 340.296 -2.062 40 30 in-vitro EAEBHM