smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(Cc2cccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC001318348642 1067028066 /nfs/dbraw/zinc/02/80/66/1067028066.db2.gz PBXOOLXIVNRMLV-UHFFFAOYSA-N 1 3 496.615 4.485 20 5 JIBDHO