smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCCCN1CCC(C(F)(F)F)CC1 ZINC000078876688 181036144 /nfs/dbraw/zinc/03/61/44/181036144.db2.gz SKLPHRHEDHFZDD-UHFFFAOYSA-N 0 1 220.238 2.564 30 30 BFECMN