smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1n[n-]c2cc(=O)[nH]c([O-])c12 100165474 169303316 /nfs/dbraw/zinc/30/33/16/169303316.db2.gz RWHCQACUVWSYNC-UHFFFAOYSA-N -2 3 166.140 -0.049 50 10 ABCAHL Nc1n[n-]c2cc(=O)[n-]c([O-])c12 100165474 169303317 /nfs/dbraw/zinc/30/33/17/169303317.db2.gz RWHCQACUVWSYNC-UHFFFAOYSA-N -3 3 166.140 -0.049 50 10 ABCAHL [O-]c1c(O)cc(-c2nn[n-]n2)cc1O 20120490 1424241178 /nfs/dbraw/zinc/24/11/78/1424241178.db2.gz BKOFIXXJDYWOBK-UHFFFAOYSA-N -2 3 194.150 -0.017 50 10 ABCAHL