smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](C/C=C/C#CC(C)(C)C)Cc1cccc(OCC(C)(C)OCc2ccsc2)c1 ZINC000001903402 562925313 /nfs/dbraw/zinc/92/53/13/562925313.db2.gz FQZFIVOMFHKBCE-CSKARUKUSA-N 1 0 439.665 6.550 30 30 investigational IKECRO