smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=CNc2cc[nH+]cc2)C(=O)N1 ZINC000006923552 349992045 /nfs/dbraw/zinc/99/20/45/349992045.db2.gz QVZFXSHXMZEXNE-UHFFFAOYSA-N 1 2 232.199 -0.257 50 10 BBCALO