smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000021885996 568758567 /nfs/dbraw/zinc/75/85/67/568758567.db2.gz WMKMOUDZXDNXSE-UHFFFAOYSA-N -2 1 417.487 3.053 10 0 HGAEML Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)[O-])cc3)[n-]c2=O)cc1 ZINC000000595076 581093029 /nfs/dbraw/zinc/09/30/29/581093029.db2.gz PNHFDVSKDSLUFH-UHFFFAOYSA-N -2 1 409.486 3.345 10 0 investigational HGAEML CCCN(CCC)c1ncc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000064472352 558264073 /nfs/dbraw/zinc/26/40/73/558264073.db2.gz PGROUJQYYMUDER-UHFFFAOYSA-N -2 1 407.492 3.216 10 0 HGAEML