smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)N/N=C/c1ccccc1S(=O)(=O)[O-] ZINC000001847188 717089817 /nfs/dbraw/zinc/08/98/17/717089817.db2.gz OZNCELRTWMNCTK-MDWZMJQESA-O 0 0 300.360 0.090 40 50 DCGBRN C[N+](C)(C)CC(=O)N/N=C/c1cccc(S(=O)(=O)[O-])c1 ZINC000001847189 717090059 /nfs/dbraw/zinc/09/00/59/717090059.db2.gz QNHVKBQTUCEFHH-MDWZMJQESA-O 0 0 300.360 0.090 40 50 DCGBRN C[N+](C)(C)CC(=O)N/N=C\c1cccc(S(=O)(=O)[O-])c1 ZINC000031937766 717120590 /nfs/dbraw/zinc/12/05/90/717120590.db2.gz QNHVKBQTUCEFHH-JYRVWZFOSA-O 0 0 300.360 0.090 40 50 DCGBRN