smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCCCCCCCCCc1ccc(C(=O)[O-])s1 ZINC000035325334 182770950 /nfs/dbraw/zinc/77/09/50/182770950.db2.gz SJEMCHDWJPTQNE-UHFFFAOYSA-N -2 0 312.431 4.584 50 0 DJAARL CC(C)(CCCCCCCCCC(C)(C)C(=O)[O-])C(=O)[O-] ZINC000033995985 563446100 /nfs/dbraw/zinc/44/61/00/563446100.db2.gz FUSSBLIWQHHZOG-UHFFFAOYSA-N -2 0 300.439 4.719 50 0 DJAARL