smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)c2sc(NCCN(C)C)nc21 ZINC000217428496 388372738 /nfs/dbraw/zinc/37/27/38/388372738.db2.gz FFRHTVLBAHDYLV-UHFFFAOYSA-N 0 3 249.383 2.887 50 70 BFIAHN