smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc([N+](=O)[O-])c(S(=O)(=O)CC(N)=O)[nH]1 ZINC000033884033 180029095 /nfs/dbraw/zinc/02/90/95/180029095.db2.gz CDOYXAOLASGRMY-UHFFFAOYSA-N 0 2 248.220 -1.115 10 5 BABELN