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+]1(CCCCCCCCCC[N+]2(C)CCCC2)CCCC1 ZINC000003961370 717097876 /nfs/dbraw/zinc/09/78/76/717097876.db2.gz ZFKUAQAUROHDKG-UHFFFAOYSA-N 2 0 310.570 4.588 1 5 DJBFRP