smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(S(=O)(=O)CC(N)=O)c([N+](=O)[O-])[n-]1 ZINC000033884033 180029094 /nfs/dbraw/zinc/02/90/94/180029094.db2.gz CDOYXAOLASGRMY-UHFFFAOYSA-N -1 1 248.220 -1.115 10 5 BABEMM