smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)NNC(=O)/C(=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 ZINC000048547674 717130006 /nfs/dbraw/zinc/13/00/06/717130006.db2.gz VWUXVXJEHJJDCK-WQRHYEAKSA-O 1 0 450.346 2.618 10 50 JFGERO