smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Sc1ccc(C2CCCCC2)cc1 ZINC000020431099 171039692 /nfs/dbraw/zinc/03/96/92/171039692.db2.gz JZDKCKQNXZYFAZ-UHFFFAOYSA-N 0 2 192.327 4.023 40 0 AIABLN