smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])NNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000832748423 605525802 /nfs/dbraw/zinc/52/58/02/605525802.db2.gz KGODMOWLYRQICQ-UHFFFAOYSA-N -1 2 306.705 2.625 20 50 DFGDLM CC(=NNC(=O)[O-])c1cc(Br)cc(Cl)c1O ZINC000825798449 602179004 /nfs/dbraw/zinc/17/90/04/602179004.db2.gz JSTZHHRJQGRJFG-UHFFFAOYSA-N -1 2 307.531 2.800 20 50 DFGDLM O=C([O-])NNC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC000834250478 605623539 /nfs/dbraw/zinc/62/35/39/605623539.db2.gz HUFWNOCWJIODCV-UHFFFAOYSA-N -1 2 313.285 2.660 20 50 DFGDLM