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-])/N=N/C(=O)[O-] 17328105 169335315 /nfs/dbraw/zinc/33/53/15/169335315.db2.gz USVVENVKYJZFMW-ONEGZZNKSA-N -2 0 118.048 0.795 40 10 in-vitro ACCBRL O=C([O-])/N=N\C(=O)[O-] 104394794 169335378 /nfs/dbraw/zinc/33/53/78/169335378.db2.gz USVVENVKYJZFMW-ARJAWSKDSA-N -2 0 118.048 0.795 40 10 ACCBRL O=Cc1cc(O)c([O-])c(CC(=O)[O-])c1 225721810 351798963 /nfs/dbraw/zinc/79/89/63/351798963.db2.gz JPIGZKCCVSMOHU-UHFFFAOYSA-N -2 0 196.158 0.537 40 10 ACCBRL