smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCO/C(=C/C(=O)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000079387582 358068617 /nfs/dbraw/zinc/06/86/17/358068617.db2.gz IUOFIYWZJKVCNS-CSKARUKUSA-N 1 1 266.263 1.243 30 30 CDECMO