smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020459046 182220081 /nfs/dbraw/zinc/22/00/81/182220081.db2.gz HAJLUVJLYDPZOH-UHFFFAOYSA-N 2 2 315.764 2.401 1 10 DECFLP