smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C1[CH]C(C(C)C)C(C(C)C)[CH]1 ZINC000103686194 343727547 /nfs/dbraw/zinc/72/75/47/343727547.db2.gz PZSQAGXLXJEHAQ-UHFFFAOYSA-N -2 0 191.338 4.100 50 0 AIAARL