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)(CI)CCCC(=O)[O-] ZINC000169309002 717155449 /nfs/dbraw/zinc/15/54/49/717155449.db2.gz SHYZRFHBQHEVNR-UHFFFAOYSA-O 0 0 272.106 1.320 1 50 CDGFRN