smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 ZINC000514390507 1066442060 /nfs/dbraw/zinc/44/20/60/1066442060.db2.gz MBMHWBIXTSDOOT-UHFFFAOYSA-N -1 3 563.658 3.518 20 5 KHBDHM