smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000160528185 323069962 /nfs/dbraw/zinc/06/99/62/323069962.db2.gz AIUBGJZSZDLSOA-UHFFFAOYSA-N -1 3 247.338 3.547 20 70 BHIDHM