smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000034681845 568733604 /nfs/dbraw/zinc/73/36/04/568733604.db2.gz XKHCBARNWMZBCQ-UHFFFAOYSA-N 1 1 411.506 3.687 10 5 HHBEMO