smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc3c4ccccc4ccc23)cc1 ZINC000040384393 519731600 /nfs/dbraw/zinc/73/16/00/519731600.db2.gz XTZOZQZANTVDKG-UHFFFAOYSA-N -1 1 405.479 4.456 10 5 HIBEMM O=C1[N-]C(=S)SC1=Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000020457333 568608804 /nfs/dbraw/zinc/60/88/04/568608804.db2.gz RAIXPWDVGDESOH-WJDWOHSUSA-N -1 1 402.453 4.382 10 5 HIBEMM