smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NN=c1[n-]c(-c2ccccc2[N+](=O)[O-])cs1 ZINC000004293993 372197475 /nfs/dbraw/zinc/19/74/75/372197475.db2.gz COOOGXSSGFKCGW-UHFFFAOYSA-N -1 3 236.256 2.004 30 5 BEBCHM