smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2nc(=NN)nc(Nc3ccc([N+](=O)[O-])cc3)[nH]2)CC1 ZINC000108415519 421204640 /nfs/dbraw/zinc/20/46/40/421204640.db2.gz LOIMHNHCIZFMQD-UHFFFAOYSA-N 0 1 345.367 0.561 40 5 EBBBMN