smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH][nH]c2c1CCCCCCCC1=NNC(=O)[C@@H]1CCCCCCC2 ZINC000103553500 222339051 /nfs/dbraw/zinc/33/90/51/222339051.db2.gz KRDAPKLDJJSAJY-IYBDPMFKSA-N -2 2 360.502 3.665 50 0 FHAALL