smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1ccc(-c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000061904335 173475547 /nfs/dbraw/zinc/47/55/47/173475547.db2.gz RLTIYRKCJZVKEA-UHFFFAOYSA-N 1 2 229.239 2.699 3 5 BFBFLO