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-])[C@@H](O)C[N+](=O)[O-] 4180493 169346088 /nfs/dbraw/zinc/34/60/88/169346088.db2.gz XUBFCGLROXDUOV-REOHCLBHSA-N -1 0 135.075 -1.291 40 5 AABBRM O=C([O-])[C@H](O)C[N+](=O)[O-] 4180494 169350610 /nfs/dbraw/zinc/35/06/10/169350610.db2.gz XUBFCGLROXDUOV-UWTATZPHSA-N -1 0 135.075 -1.291 40 5 AABBRM O=c1[n-]c([N+](=O)[O-])nn1CO 16136400 169416536 /nfs/dbraw/zinc/41/65/36/169416536.db2.gz PVFCSYABWXEYPR-UHFFFAOYSA-N -1 0 160.089 -1.571 40 5 AABBRM O=[N+]([O-])C(c1nnn[n-]1)[N+](=O)[O-] 135610856 343965942 /nfs/dbraw/zinc/96/59/42/343965942.db2.gz LBNPCMNIZCKKGH-UHFFFAOYSA-N -1 0 174.076 -1.248 40 5 AABBRM