smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](Cn1cc([N+](=O)[O-])c(=O)[n-]c1=O)C(=O)[O-] ZINC000001702710 357165180 /nfs/dbraw/zinc/16/51/80/357165180.db2.gz IEBVITXSHAFLJR-VKHMYHEASA-N -2 3 244.163 -2.143 10 5 in-vitro BABEHL