smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001228140422 975931047 /nfs/dbraw/zinc/93/10/47/975931047.db2.gz JJQMSFHKSFFNNQ-SSDOTTSWSA-N -2 1 248.218 1.558 20 5 BDBDML C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001228140424 975928024 /nfs/dbraw/zinc/92/80/24/975928024.db2.gz JJQMSFHKSFFNNQ-ZETCQYMHSA-N -2 1 248.218 1.558 20 5 BDBDML