smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc(CCCOC)cc(=O)[nH]1 217785608 344406143 /nfs/dbraw/zinc/40/61/43/344406143.db2.gz NRSHKSQLBHPMPG-UHFFFAOYSA-N -1 0 196.250 1.324 40 70 ADIBRM