smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(CCNS(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000060032801 563146905 /nfs/dbraw/zinc/14/69/05/563146905.db2.gz IFQXSZLZNMUWIQ-UHFFFAOYSA-N 0 0 433.559 1.800 20 10 IDCDRN