smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Cl)c(CCc2ccc(S(=O)(=O)F)cc2)c1 ZINC000043871807 563121456 /nfs/dbraw/zinc/12/14/56/563121456.db2.gz VPMCEIBWCMWJJL-UHFFFAOYSA-N 1 1 437.928 2.969 10 70 IFIEMO