smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1[nH]c(=S)[n-]c(=O)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000018203345 201369051 /nfs/dbraw/zinc/36/90/51/201369051.db2.gz HCQSBSMYZOJTJZ-UHFFFAOYSA-N -2 1 343.346 0.350 10 5 ECBEML