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)NC(=O)C1=CNc1ccc(S(=O)(=O)NCCO)cc1 ZINC000003067187 482537740 /nfs/dbraw/zinc/53/77/40/482537740.db2.gz DWHJRYYGAQAGTL-UHFFFAOYSA-N -1 1 370.412 -1.216 50 10 FACAMM