smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-][N+]([O-])(O)C[C@H]1O[C@@H](n2cnc3c2ncnc3N[C@@H]2CCOC2)[C@H](O)[C@@H]1O ZINC000169697577 717156947 /nfs/dbraw/zinc/15/69/47/717156947.db2.gz QVLDCBLGGOVRLF-BAYCTPFLSA-N -1 2 384.349 -1.261 1 5 GABFLM [O-][N+]([O-])(O)C[C@H]1O[C@@H](n2cnc3c2ncnc3N[C@H]2CCOC2)[C@H](O)[C@@H]1O ZINC000169697578 717157231 /nfs/dbraw/zinc/15/72/31/717157231.db2.gz QVLDCBLGGOVRLF-TWBCTODHSA-N -1 2 384.349 -1.261 1 5 GABFLM