smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCC[NH2+]Cc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1O ZINC000103215246 219271580 /nfs/dbraw/zinc/27/15/80/219271580.db2.gz XWFDHJWAHCWCRX-UHFFFAOYSA-N 2 2 343.814 3.419 1 10 EGCFLP