smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)N(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C1CNC1 ZINC001166968282 792927425 /nfs/dbraw/zinc/92/74/25/792927425.db2.gz UZMKZDCVLJUMQP-UHFFFAOYSA-N 1 3 357.396 -1.468 20 5 FABDHO