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-])CCCCCCC/C=C\CCCCCCCC(=O)[O-] ZINC000035465169 563961895 /nfs/dbraw/zinc/96/18/95/563961895.db2.gz SBLKVIQSIHEQOF-UPHRSURJSA-N -2 0 312.450 5.173 10 0 in-vitro DKAERL