smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)C(=Cc2csc3ccccc23)S1 ZINC000095556185 185008288 /nfs/dbraw/zinc/00/82/88/185008288.db2.gz QCAHNVAFDQSWBE-YHYXMXQVSA-N -1 1 277.395 4.026 1 10 CICFMM