smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1c([S-])cccc1Cl 60023241 171102352 /nfs/dbraw/zinc/10/23/52/171102352.db2.gz LDLFDPSNJMBFGU-UHFFFAOYSA-N -1 0 189.623 2.537 40 5 AFBBRM