smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC1(c2nc(-c3cnccn3)no2)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000225839310 568782873 /nfs/dbraw/zinc/78/28/73/568782873.db2.gz SHVBRNKHSAPBAK-UHFFFAOYSA-N 0 3 410.434 2.615 10 5 HFBEHN