smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc2cc3ccccc3cc2n1 ZINC000196239397 368403725 /nfs/dbraw/zinc/40/37/25/368403725.db2.gz AQBMRTJMMMCHLM-UHFFFAOYSA-N -1 0 223.231 3.086 2 5 BGBFRM