smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(=O)CC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=NNC(=O)C[N+](C)(C)C ZINC000254308151 717170631 /nfs/dbraw/zinc/17/06/31/717170631.db2.gz IPWWKPABCDMUTK-UHFFFAOYSA-O 1 0 479.645 3.933 10 50 JHGERO