smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1coc(C[N@@H+](Cc2cccs2)Cc2cnc(-c3ccccn3)s2)c1 ZINC000160666325 568215158 /nfs/dbraw/zinc/21/51/58/568215158.db2.gz OEJWYNUNEUNHNS-UHFFFAOYSA-N 1 2 367.499 5.062 20 70 FKIDLO c1coc(C[N@H+](Cc2cccs2)Cc2cnc(-c3ccccn3)s2)c1 ZINC000160666325 568215157 /nfs/dbraw/zinc/21/51/57/568215157.db2.gz OEJWYNUNEUNHNS-UHFFFAOYSA-N 1 2 367.499 5.062 20 70 FKIDLO