smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCCCCC/C(C(=O)[O-])=C(\C)C(=O)[O-] ZINC000095596911 185015365 /nfs/dbraw/zinc/01/53/65/185015365.db2.gz GXVRICINRLHMKJ-QXMHVHEDSA-N -2 0 254.326 3.389 1 30 CGEFRL O=C([O-])c1ccccc1C[C@@H](CCCCCS)C(=O)[O-] ZINC000034803315 171868509 /nfs/dbraw/zinc/86/85/09/171868509.db2.gz MLFBNUWBZSWDEZ-GFCCVEGCSA-N -2 0 296.388 3.118 1 30 in-vivo CGEFRL